| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.8 | Very low | 52.7 | Low | 243 Ų | 243 | 118.1 Ų | 118.1 | 100% | 1.197 | 69% | 0.689 | S | S | * | * | 0 | 105.6 | 0 | -71.8 | -177.8 | -159.2 | 0 | 0 | 107 | I3 | M1-I3 PolarHBondContact O-N 3.27Š| |||
| 2 | G | 35.7 | Very low | 55.1 | Low | 81 Ų | 81 | 110.7 Ų | 110.7 | 84% | 0.835 | 65% | 0.647 | S | S | * | * | trans | -69.2 | 117.1 | 179 | 0 | 0 | 0 | 0 | 0 | 108.9 | A4 | G2-A4 PolarHBondContact O-N 3.04Å; G2-A4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | I | 39.8 | Very low | 57.4 | Low | 163 Ų | 163 | 111.8 Ų | 111.8 | 84% | 0.836 | 67% | 0.665 | S | S | * | * | trans | -59.1 | 113.2 | 159.3 | 37.4 | 172.1 | 0 | 0 | 0 | 106 | M1 E5 | M1-I3 PolarHBondContact O-N 3.27Å; I3-E5 PolarHBondContact O-N 2.94Å | ||
| 4 | A | 38.1 | Very low | 59.4 | Low | 96 Ų | 96 | 107.1 Ų | 107.1 | 79% | 0.793 | 64% | 0.635 | S | S | * | * | trans | -55 | 112 | 171.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | G2 S6 | G2-A4 PolarHBondContact O-N 3.04Å; G2-A4 VanDerWaalsContact O-N 3.14Å; A4-S6 VanDerWaalsContact C-N 3.25Å; A4-S6 PolarHBondContact O-N 3.17Å | ||
| 5 | E | 42 | Very low | 61.2 | Low | 186 Ų | 186 | 100.1 Ų | 100.1 | 87% | 0.869 | 59% | 0.594 | S | S | * | * | trans | -60.5 | 100.3 | 160.6 | -76.3 | -177.9 | 148.6 | 0 | 0 | 105.2 | I3 T7 | I3-E5 PolarHBondContact O-N 2.94Å; E5-T7 PolarHBondContact O-N 3.43Å; E5-T7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | S | 46.8 | Very low | 62.8 | Low | 101 Ų | 101 | 102.2 Ų | 102.2 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | trans | -47 | 122.8 | 166.8 | 49.9 | 0 | 0 | 0 | 0 | 107.2 | A4 | A4-S6 VanDerWaalsContact C-N 3.25Å; A4-S6 PolarHBondContact O-N 3.17Å | ||
| 7 | T | 53.6 | Low | 64.2 | Low | 68 Ų | 68 | 105 Ų | 105 | 42% | 0.417 | 60% | 0.602 | S | S | . | * | trans | -49.1 | 130.7 | 177.2 | 42.2 | 0 | 0 | 0 | 0 | 108.2 | E5 D9 E10 | E5-T7 PolarHBondContact O-N 3.43Å; E5-T7 VanDerWaalsContact O-N 3.13Å; T7-D9 PolarHBondContact O-N 2.69Å; T7-E10 PolarHBondContact O-N 3.22Å; T7-E10 VanDerWaalsContact OG1-CG 3.28Å; T7-E10 WeakPolarHBondContact OG1-CG 3.31Å; T7-E10 PolarHBondContact OG1-OE1 3.24Å; T7-E10 PolarHBondContact OG1-OE2 3.45Å | ||
| 8 | P | 58.8 | Low | 65.4 | Low | 80 Ų | 80 | 101.3 Ų | 101.3 | 52% | 0.519 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -6 | -168.9 | 16.7 | -27.7 | 0 | 0 | 0 | 115.3 | ||
| 9 | D | 69.5 | Low | 66.6 | Low | 92 Ų | 92 | 97.6 Ų | 97.6 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.2 | -3.9 | -177.1 | -84 | -52.1 | 0 | 0 | 0 | 115 | T7 S38 A39 | T7-D9 PolarHBondContact O-N 2.69Å; D9-S38 PolarHBondContact OD1-N 3.18Å; D9-S38 PolarHBondContact OD1-OG 2.84Å; D9-A39 VanDerWaalsContact O-CB 3.31Å; D9-A39 WeakPolarHBondContact O-CB 3.47Å |
| 10 | E | 77.8 | Confident | 67.4 | Low | 134 Ų | 134 | 102.5 Ų | 102.5 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -85.5 | 145.8 | 177.2 | -79.2 | 172.6 | -143.2 | 0 | 0 | 112.5 | T7 | T7-E10 PolarHBondContact O-N 3.22Å; T7-E10 VanDerWaalsContact OG1-CG 3.28Å; T7-E10 WeakPolarHBondContact OG1-CG 3.31Å; T7-E10 PolarHBondContact OG1-OE1 3.24Å; T7-E10 PolarHBondContact OG1-OE2 3.45Å |
| 11 | L | 83.2 | Confident | 67.7 | Low | 55 Ų | 55 | 99.4 Ų | 99.4 | 29% | 0.288 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 147.2 | 169 | -71.2 | 172.8 | 0 | 0 | 0 | 109.6 | A15 L26 A39 V40 L43 | L11-A15 HydrophobicContact CB-CB 3.93Å; L11-A15 HydrophobicContact CD1-CB 4.47Å; L11-L26 HydrophobicContact CD2-CD2 4.44Å; L11-A39 HydrophobicContact CD1-CB 4.48Å; L11-A39 HydrophobicContact CD2-CB 4.28Å; L11-A39 HydrophobicContact CG-CB 3.86Å; L11-V40 HydrophobicContact CD2-CB 4.33Å; L11-V40 HydrophobicContact CD2-CG2 3.52Å; L11-L43 HydrophobicContact CD1-CD1 4.45Å; L11-L43 HydrophobicContact CD1-CD2 4.25Å; L11-L43 HydrophobicContact CD2-CD1 4.28Å |
| 12 | P | 81.6 | Confident | 69.5 | Low | 29 Ų | 29 | 91.7 Ų | 91.7 | 19% | 0.188 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 151.4 | 174.5 | 28.6 | -34.5 | 0 | 0 | 0 | 110.8 | D14 A15 L28 | P12-D14 WeakPolarHBondContact CB-OD1 3.31Å; P12-D14 PolarHBondContact O-N 3.12Å; P12-A15 HydrophobicContact CG-CB 4.05Å; P12-A15 WeakPolarHBondContact O-CB 3.27Å; P12-A15 PolarHBondContact O-N 3.4Å; P12-L28 HydrophobicContact CG-CD2 3.53Å |
| 13 | S | 84.3 | Confident | 71.5 | Confident | 126 Ų | 126 | 92.4 Ų | 92.4 | 88% | 0.881 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25 | -172.9 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 14 | D | 85.6 | Confident | 73.9 | Confident | 45 Ų | 45 | 87 Ų | 87 | 24% | 0.241 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -1.9 | 179.3 | 62.6 | -48.2 | 0 | 0 | 0 | 113.6 | P12 E16 E17 Q18 R31 | P12-D14 WeakPolarHBondContact CB-OD1 3.31Å; P12-D14 PolarHBondContact O-N 3.12Å; D14-E16 PolarHBondContact O-N 3.44Å; D14-E17 PolarHBondContact O-N 2.69Å; D14-Q18 WeakPolarHBondContact O-CG 3.47Å; D14-Q18 PolarHBondContact O-N 2.82Å; D14-Q18 VanDerWaalsContact O-N 3.13Å; D14-Q18 PolarHBondContact OD2-NE2 3.18Å; D14-R31 VanDerWaalsContact CG-NH2 3.29Å; D14-R31 IonicContact OD1-CZ 3.11Å; D14-R31 IonicContact OD1-NH1 2.64Å; D14-R31 PolarHBondContact OD1-NH1 3.15Å; D14-R31 IonicContact OD1-NH2 2.71Å; D14-R31 PolarHBondContact OD1-NH2 3.26Å; D14-R31 VanDerWaalsContact OD1-NH2 3.09Å; D14-R31 IonicContact OD2-CZ 3.83Å; D14-R31 IonicContact OD2-NH1 3.08Å; D14-R31 IonicContact OD2-NH2 2.81Å; D14-R31 PolarHBondContact OD2-NH2 3.34Å |
| 15 | A | 86.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 85.2 Ų | 85.2 | 2% | 0.017 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L11 P12 E17 Q18 L19 L26 | L11-A15 HydrophobicContact CB-CB 3.93Å; L11-A15 HydrophobicContact CD1-CB 4.47Å; P12-A15 HydrophobicContact CG-CB 4.05Å; P12-A15 WeakPolarHBondContact O-CB 3.27Å; P12-A15 PolarHBondContact O-N 3.4Å; A15-E17 VanDerWaalsContact C-N 3.28Å; A15-E17 PolarHBondContact O-N 3.07Å; A15-Q18 PolarHBondContact O-N 3.36Å; A15-L19 WeakPolarHBondContact O-CB 3.33Å; A15-L19 WeakPolarHBondContact O-CG 3.14Å; A15-L19 PolarHBondContact O-N 2.9Å; A15-L26 HydrophobicContact CB-CD1 3.75Å |
| 16 | E | 86.1 | Confident | 79.1 | Confident | 134 Ų | 134 | 76.3 Ų | 76.3 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.9 | -38.5 | 179.6 | -69.4 | -170.8 | -175.7 | 0 | 0 | 112.3 | D14 L19 R20 | D14-E16 PolarHBondContact O-N 3.44Å; E16-L19 PolarHBondContact O-N 2.58Å; E16-R20 VanDerWaalsContact O-CG 3.31Å; E16-R20 WeakPolarHBondContact O-CG 3.31Å; E16-R20 PolarHBondContact O-N 2.91Å; E16-R20 VanDerWaalsContact O-N 3.12Å; E16-R20 IonicContact OE2-NH2 3.74Å |
| 17 | E | 86.3 | Confident | 81.3 | Confident | 150 Ų | 150 | 75.3 Ų | 75.3 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.8 | -44.1 | 178.2 | -174.2 | 176.9 | -174.6 | 0 | 0 | 111.1 | D14 A15 L19 R20 | D14-E17 PolarHBondContact O-N 2.69Å; A15-E17 VanDerWaalsContact C-N 3.28Å; A15-E17 PolarHBondContact O-N 3.07Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 3.32Å; E17-R20 PolarHBondContact O-N 3.15Å |
| 18 | Q | 87.1 | Confident | 83.1 | Confident | 38 Ų | 38 | 72.1 Ų | 72.1 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.3 | -63.6 | 179.6 | 36.9 | 0 | 0 | 112 | D14 A15 R20 S21 E27 | D14-Q18 WeakPolarHBondContact O-CG 3.47Å; D14-Q18 PolarHBondContact O-N 2.82Å; D14-Q18 VanDerWaalsContact O-N 3.13Å; D14-Q18 PolarHBondContact OD2-NE2 3.18Å; A15-Q18 PolarHBondContact O-N 3.36Å; Q18-R20 VanDerWaalsContact C-N 3.32Å; Q18-R20 PolarHBondContact O-N 2.92Å; Q18-S21 VanDerWaalsContact O-CB 3.31Å; Q18-S21 WeakPolarHBondContact O-CB 3.38Å; Q18-S21 PolarHBondContact O-N 2.88Å; Q18-S21 PolarHBondContact O-OG 2.84Å; Q18-E27 PolarHBondContact NE2-O 3.27Å |
| 19 | L | 88.3 | Confident | 84.6 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -74.7 | -17.9 | -179.8 | -67.2 | 170.4 | 0 | 0 | 0 | 114 | A15 E16 E17 S21 Q24 L43 L46 | A15-L19 WeakPolarHBondContact O-CB 3.33Å; A15-L19 WeakPolarHBondContact O-CG 3.14Å; A15-L19 PolarHBondContact O-N 2.9Å; E16-L19 PolarHBondContact O-N 2.58Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 3.32Å; L19-S21 PolarHBondContact O-N 2.96Å; L19-Q24 PolarHBondContact O-NE2 3.4Å; L19-L43 HydrophobicContact CD1-CD1 3.89Å; L19-L43 HydrophobicContact CD1-CD2 3.75Å; L19-L43 HydrophobicContact CD1-CG 4.45Å; L19-L43 HydrophobicContact CD2-CD1 4.3Å; L19-L46 HydrophobicContact CD2-CD1 3.63Å |
| 20 | R | 81.8 | Confident | 85.3 | Confident | 196 Ų | 196 | 68.7 Ų | 68.7 | 74% | 0.74 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -16.3 | 170.8 | -75.2 | 171 | -167.2 | -179.3 | 7 | 112.3 | E16 E17 Q18 | E16-R20 VanDerWaalsContact O-CG 3.31Å; E16-R20 WeakPolarHBondContact O-CG 3.31Å; E16-R20 PolarHBondContact O-N 2.91Å; E16-R20 VanDerWaalsContact O-N 3.12Å; E16-R20 IonicContact OE2-NH2 3.74Å; E17-R20 PolarHBondContact O-N 3.15Å; Q18-R20 VanDerWaalsContact C-N 3.32Å; Q18-R20 PolarHBondContact O-N 2.92Å |
| 21 | S | 73.7 | Confident | 85.8 | Confident | 38 Ų | 38 | 66.1 Ų | 66.1 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -63.9 | 143.4 | 171.1 | 74.3 | 0 | 0 | 0 | 0 | 110.8 | Q18 L19 E23 Q24 | Q18-S21 VanDerWaalsContact O-CB 3.31Å; Q18-S21 WeakPolarHBondContact O-CB 3.38Å; Q18-S21 PolarHBondContact O-N 2.88Å; Q18-S21 PolarHBondContact O-OG 2.84Å; L19-S21 PolarHBondContact O-N 2.96Å; S21-E23 PolarHBondContact O-N 2.81Å; S21-Q24 PolarHBondContact O-N 3.41Å; S21-Q24 PolarHBondContact O-NE2 2.71Å |
| 22 | G | 73.8 | Confident | 85.9 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 83% | 0.825 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 23 | E | 75.9 | Confident | 86.1 | Confident | 96 Ų | 96 | 75.5 Ų | 75.5 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -6.3 | -177.4 | -62.8 | -165.4 | -164.6 | 0 | 0 | 114.7 | S21 Q25 K48 | S21-E23 PolarHBondContact O-N 2.81Å; E23-Q25 HydrophobicContact CB-CG 4.4Å; E23-Q25 PolarHBondContact O-N 2.97Å; E23-K48 IonicContact OE2-NZ 2.84Å; E23-K48 PolarHBondContact OE2-NZ 3.11Å |
| 24 | Q | 91.3 | Very high | 86.1 | Confident | 50 Ų | 50 | 78.3 Ų | 78.3 | 23% | 0.234 | 39% | 0.386 | C | S | . | . | trans | 47.7 | 56.2 | 179.5 | -60.2 | -62.9 | -75.1 | 0 | 0 | 112 | L19 S21 R45 L46 Q47 K48 | L19-Q24 PolarHBondContact O-NE2 3.4Å; S21-Q24 PolarHBondContact O-N 3.41Å; S21-Q24 PolarHBondContact O-NE2 2.71Å; Q24-R45 VanDerWaalsContact CB-O 3.31Å; Q24-R45 WeakPolarHBondContact CB-O 3.47Å; Q24-L46 WeakPolarHBondContact O-CD1 3.43Å; Q24-Q47 HydrophobicContact CB-CB 4.46Å; Q24-Q47 HydrophobicContact CB-CG 4.16Å; Q24-Q47 PolarHBondContact O-N 3.05Å; Q24-K48 PolarHBondContact O-N 3.35Å | ||
| 25 | Q | 94.2 | Very high | 86.2 | Confident | 58 Ų | 58 | 83 Ų | 83 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150.1 | -176.1 | 66.5 | -177.1 | -28.5 | 0 | 0 | 112.3 | E23 K48 | E23-Q25 HydrophobicContact CB-CG 4.4Å; E23-Q25 PolarHBondContact O-N 2.97Å; Q25-K48 CarbonylContact C-O 3.21Å; Q25-K48 VanDerWaalsContact CA-O 3.32Å; Q25-K48 WeakPolarHBondContact CA-O 3.32Å; Q25-K48 HydrophobicContact CB-CB 3.85Å; Q25-K48 HydrophobicContact CB-CD 4.34Å; Q25-K48 HydrophobicContact CB-CG 4.48Å |
| 26 | L | 94.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.9 | 175.6 | -173.9 | 67.6 | 0 | 0 | 0 | 110.4 | L11 A15 L28 V40 L43 L46 K48 L49 Y50 | L11-L26 HydrophobicContact CD2-CD2 4.44Å; A15-L26 HydrophobicContact CB-CD1 3.75Å; L26-L28 HydrophobicContact CD1-CD2 4.18Å; L26-L28 HydrophobicContact CD2-CD1 4Å; L26-L28 HydrophobicContact CD2-CD2 4.17Å; L26-L28 HydrophobicContact CD2-CG 4.15Å; L26-L28 HydrophobicContact CG-CD1 4.39Å; L26-L28 HydrophobicContact CG-CD2 3.96Å; L26-L28 HydrophobicContact CG-CG 3.99Å; L26-V40 HydrophobicContact CD2-CG1 4.02Å; L26-V40 HydrophobicContact CD2-CG2 4.05Å; L26-L43 HydrophobicContact CD2-CD1 3.94Å; L26-L46 HydrophobicContact CB-CD1 3.66Å; L26-L46 HydrophobicContact CB-CD2 4.33Å; L26-K48 PolarHBondContact N-O 3.42Å; L26-L49 HydrophobicContact CB-CD1 4.11Å; L26-L49 HydrophobicContact CD2-CD1 4.06Å; L26-L49 HydrophobicContact CG-CD1 4.29Å; L26-Y50 PolarHBondContact O-N 3.13Å |
| 27 | E | 93.1 | Very high | 86.4 | Confident | 80 Ų | 80 | 77.2 Ų | 77.2 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 110.6 | -179.9 | 179.9 | 58.3 | -87.5 | 0 | 0 | 110.7 | Q18 S29 R31 Y50 | Q18-E27 PolarHBondContact NE2-O 3.27Å; E27-S29 WeakPolarHBondContact OE1-CA 3.37Å; E27-S29 WeakPolarHBondContact OE1-CB 3.44Å; E27-S29 PolarHBondContact OE1-N 3.35Å; E27-S29 PolarHBondContact OE1-OG 2.89Å; E27-R31 PolarHBondContact O-NH2 3.21Å; E27-Y50 VanDerWaalsContact OE1-CB 3.26Å; E27-Y50 WeakPolarHBondContact OE1-CB 3.32Å; E27-Y50 WeakPolarHBondContact OE2-CB 3.45Å |
| 28 | L | 91.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | trans | -119.5 | 0.2 | -179.9 | -55.1 | -177.7 | 0 | 0 | 0 | 112.2 | P12 L26 R31 L33 L36 V40 L49 Y50 V51 T54 | P12-L28 HydrophobicContact CG-CD2 3.53Å; L26-L28 HydrophobicContact CD1-CD2 4.18Å; L26-L28 HydrophobicContact CD2-CD1 4Å; L26-L28 HydrophobicContact CD2-CD2 4.17Å; L26-L28 HydrophobicContact CD2-CG 4.15Å; L26-L28 HydrophobicContact CG-CD1 4.39Å; L26-L28 HydrophobicContact CG-CD2 3.96Å; L26-L28 HydrophobicContact CG-CG 3.99Å; L28-R31 WeakPolarHBondContact O-CB 3.37Å; L28-R31 WeakPolarHBondContact O-CG 3.35Å; L28-R31 PolarHBondContact O-N 3.22Å; L28-L33 HydrophobicContact CB-CD1 3.81Å; L28-L33 HydrophobicContact CD1-CD1 4.25Å; L28-L33 HydrophobicContact CG-CD1 4.49Å; L28-L36 HydrophobicContact CD1-CD1 3.82Å; L28-V40 HydrophobicContact CD1-CG2 4.11Å; L28-L49 HydrophobicContact CD1-CD1 4.13Å; L28-Y50 WeakPolarHBondContact CA-O 3.41Å; L28-Y50 WeakPolarHBondContact CB-O 3.28Å; L28-Y50 PolarHBondContact N-O 2.64Å; L28-V51 HydrophobicContact CB-CG1 4.15Å; L28-V51 HydrophobicContact CB-CG2 4.38Å; L28-V51 HydrophobicContact CD1-CG2 4.29Å; L28-T54 WeakPolarHBondContact O-CG2 3.34Å | ||
| 29 | S | 90.5 | Very high | 86.5 | Confident | 38 Ų | 38 | 72.5 Ų | 72.5 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 147.3 | -175.3 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | E27 R31 Y50 S52 | E27-S29 WeakPolarHBondContact OE1-CA 3.37Å; E27-S29 WeakPolarHBondContact OE1-CB 3.44Å; E27-S29 PolarHBondContact OE1-N 3.35Å; E27-S29 PolarHBondContact OE1-OG 2.89Å; S29-R31 PolarHBondContact O-N 3.38Å; S29-Y50 PolarHBondContact N-O 3.37Å; S29-S52 CarbonylContact C-O 3.33Å; S29-S52 WeakPolarHBondContact CA-O 3.19Å; S29-S52 WeakPolarHBondContact CB-O 3.49Å; S29-S52 PolarHBondContact OG-N 3.3Å |
| 30 | G | 84.8 | Confident | 86.7 | Confident | 62 Ų | 62 | 71 Ų | 71 | 64% | 0.639 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | -7.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S52 | G30-S52 PolarHBondContact N-O 3.37Š|
| 31 | R | 88.1 | Confident | 87.2 | Confident | 80 Ų | 80 | 62 Ų | 62 | 30% | 0.302 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -75.5 | 144.9 | 172.8 | -57.9 | -177.4 | -167.9 | -129 | 1.5 | 109.8 | D14 E27 L28 S29 L33 T54 | D14-R31 VanDerWaalsContact CG-NH2 3.29Å; D14-R31 IonicContact OD1-CZ 3.11Å; D14-R31 IonicContact OD1-NH1 2.64Å; D14-R31 PolarHBondContact OD1-NH1 3.15Å; D14-R31 IonicContact OD1-NH2 2.71Å; D14-R31 PolarHBondContact OD1-NH2 3.26Å; D14-R31 VanDerWaalsContact OD1-NH2 3.09Å; D14-R31 IonicContact OD2-CZ 3.83Å; D14-R31 IonicContact OD2-NH1 3.08Å; D14-R31 IonicContact OD2-NH2 2.81Å; D14-R31 PolarHBondContact OD2-NH2 3.34Å; E27-R31 PolarHBondContact O-NH2 3.21Å; L28-R31 WeakPolarHBondContact O-CB 3.37Å; L28-R31 WeakPolarHBondContact O-CG 3.35Å; L28-R31 PolarHBondContact O-N 3.22Å; S29-R31 PolarHBondContact O-N 3.38Å; R31-L33 VanDerWaalsContact C-N 3.33Å; R31-L33 HydrophobicContact CB-CD1 4.03Å; R31-L33 HydrophobicContact CB-CG 4.01Å; R31-L33 PolarHBondContact O-N 2.76Å; R31-T54 WeakPolarHBondContact O-CA 3.5Å; R31-T54 WeakPolarHBondContact O-CB 3.44Å; R31-T54 VanDerWaalsContact O-CG2 3.24Å; R31-T54 WeakPolarHBondContact O-CG2 3.12Å |
| 32 | R | 85.6 | Confident | 88.1 | Confident | 248 Ų | 248 | 63.9 Ų | 63.9 | 94% | 0.936 | 34% | 0.34 | S | S | * | . | trans | -75.4 | 85.3 | 175.1 | -70.9 | -175.2 | 177.8 | -175.1 | 1.1 | 110.5 | ||||
| 33 | L | 84.6 | Confident | 89 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | trans | -114.3 | 105.6 | 178.8 | -63.1 | 167 | 0 | 0 | 0 | 109.7 | L28 R31 R35 V51 T54 L56 | L28-L33 HydrophobicContact CB-CD1 3.81Å; L28-L33 HydrophobicContact CD1-CD1 4.25Å; L28-L33 HydrophobicContact CG-CD1 4.49Å; R31-L33 VanDerWaalsContact C-N 3.33Å; R31-L33 HydrophobicContact CB-CD1 4.03Å; R31-L33 HydrophobicContact CB-CG 4.01Å; R31-L33 PolarHBondContact O-N 2.76Å; L33-R35 VanDerWaalsContact C-N 3.34Å; L33-V51 HydrophobicContact CD1-CG1 4.46Å; L33-T54 HydrophobicContact CB-CG2 4.48Å; L33-T54 HydrophobicContact CD1-CG2 4.31Å; L33-T54 PolarHBondContact N-O 3.13Å; L33-T54 VanDerWaalsContact N-O 3.12Å; L33-L56 WeakPolarHBondContact O-CA 3.05Å; L33-L56 PolarHBondContact O-N 3Å | ||
| 34 | R | 84.8 | Confident | 89.7 | Confident | 185 Ų | 185 | 60.6 Ų | 60.6 | 70% | 0.698 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -75.7 | -27.4 | 176.4 | -67.2 | -172.4 | -177.5 | -136.8 | 3.9 | 112.7 | R57 | R34-R57 PolarHBondContact O-N 2.92Š|
| 35 | R | 88.3 | Confident | 89.8 | Confident | 142 Ų | 142 | 67 Ų | 67 | 54% | 0.536 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -135.5 | 150.9 | 175.3 | -70.2 | -170.1 | -66 | -120.4 | 2 | 108.3 | L33 L56 E58 | L33-R35 VanDerWaalsContact C-N 3.34Å; R35-L56 VanDerWaalsContact C-CD1 3.41Å; R35-L56 VanDerWaalsContact CA-CD1 3.44Å; R35-E58 WeakPolarHBondContact CD-OE1 3.46Å; R35-E58 HydrophobicContact CG-CG 4.38Å |
| 36 | L | 89.6 | Confident | 89.9 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | trans | -80 | 125.7 | 171.5 | -174 | 69.7 | 0 | 0 | 0 | 107.8 | L28 S38 V40 L49 V51 L56 L59 P60 I63 | L28-L36 HydrophobicContact CD1-CD1 3.82Å; L36-S38 PolarHBondContact O-N 3.35Å; L36-V40 HydrophobicContact CD1-CB 4.34Å; L36-V40 HydrophobicContact CD1-CG1 4.31Å; L36-V40 HydrophobicContact CD1-CG2 4.06Å; L36-V40 HydrophobicContact CD2-CB 4.49Å; L36-V40 HydrophobicContact CD2-CG1 4.32Å; L36-V40 HydrophobicContact CG-CB 4.24Å; L36-V40 HydrophobicContact CG-CG1 4.45Å; L36-V40 HydrophobicContact CG-CG2 4.34Å; L36-L49 HydrophobicContact CD2-CD2 4.31Å; L36-V51 HydrophobicContact CD1-CG1 4.21Å; L36-V51 HydrophobicContact CD1-CG2 4.13Å; L36-L56 HydrophobicContact CB-CD1 4.26Å; L36-L56 VanDerWaalsContact N-CD1 3.28Å; L36-L59 HydrophobicContact CD2-CD2 4.11Å; L36-P60 HydrophobicContact CB-CG 4.4Å; L36-P60 HydrophobicContact CD2-CG 4.22Å; L36-I63 HydrophobicContact CD2-CD1 3.93Å | ||
| 37 | P | 86.8 | Confident | 90 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | trans | -58 | 135.3 | 177.8 | -24.6 | 34.2 | 0 | 0 | 0 | 111.2 | A39 V40 | P37-A39 PolarHBondContact O-N 3.39Å; P37-V40 HydrophobicContact CB-CG2 4.32Å; P37-V40 WeakPolarHBondContact O-CB 3.25Å; P37-V40 PolarHBondContact O-N 2.99Å | ||
| 38 | S | 85.1 | Confident | 90.2 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -30.9 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 112.4 | D9 L36 V40 C41 | D9-S38 PolarHBondContact OD1-N 3.18Å; D9-S38 PolarHBondContact OD1-OG 2.84Å; L36-S38 PolarHBondContact O-N 3.35Å; S38-V40 PolarHBondContact O-N 2.97Å; S38-V40 VanDerWaalsContact O-N 3.16Å; S38-C41 VanDerWaalsContact O-CB 3.31Å; S38-C41 WeakPolarHBondContact O-CB 3.46Å; S38-C41 PolarHBondContact O-N 2.88Å |
| 39 | A | 89.9 | Confident | 90.4 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 26% | 0.256 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58 | -26 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | D9 L11 P37 C41 A42 | D9-A39 VanDerWaalsContact O-CB 3.31Å; D9-A39 WeakPolarHBondContact O-CB 3.47Å; L11-A39 HydrophobicContact CD1-CB 4.48Å; L11-A39 HydrophobicContact CD2-CB 4.28Å; L11-A39 HydrophobicContact CG-CB 3.86Å; P37-A39 PolarHBondContact O-N 3.39Å; A39-C41 VanDerWaalsContact C-N 3.28Å; A39-C41 PolarHBondContact O-N 3.17Å; A39-A42 PolarHBondContact O-N 2.83Å |
| 40 | V | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 172.5 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | L11 L26 L28 L36 P37 S38 A42 L43 L46 L49 L66 | L11-V40 HydrophobicContact CD2-CB 4.33Å; L11-V40 HydrophobicContact CD2-CG2 3.52Å; L26-V40 HydrophobicContact CD2-CG1 4.02Å; L26-V40 HydrophobicContact CD2-CG2 4.05Å; L28-V40 HydrophobicContact CD1-CG2 4.11Å; L36-V40 HydrophobicContact CD1-CB 4.34Å; L36-V40 HydrophobicContact CD1-CG1 4.31Å; L36-V40 HydrophobicContact CD1-CG2 4.06Å; L36-V40 HydrophobicContact CD2-CB 4.49Å; L36-V40 HydrophobicContact CD2-CG1 4.32Å; L36-V40 HydrophobicContact CG-CB 4.24Å; L36-V40 HydrophobicContact CG-CG1 4.45Å; L36-V40 HydrophobicContact CG-CG2 4.34Å; P37-V40 HydrophobicContact CB-CG2 4.32Å; P37-V40 WeakPolarHBondContact O-CB 3.25Å; P37-V40 PolarHBondContact O-N 2.99Å; S38-V40 PolarHBondContact O-N 2.97Å; S38-V40 VanDerWaalsContact O-N 3.16Å; V40-A42 PolarHBondContact O-N 3.09Å; V40-L43 VanDerWaalsContact O-CB 3.28Å; V40-L43 WeakPolarHBondContact O-CB 3.38Å; V40-L43 WeakPolarHBondContact O-CG 3.39Å; V40-L43 PolarHBondContact O-N 2.79Å; V40-L43 VanDerWaalsContact O-N 3.12Å; V40-L46 HydrophobicContact CG1-CD2 4.43Å; V40-L49 HydrophobicContact CG1-CD1 4.1Å; V40-L49 HydrophobicContact CG1-CD2 3.88Å; V40-L66 WeakPolarHBondContact O-CD2 3.3Å |
| 41 | C | 92.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.5 | -19.3 | -177.4 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | S38 A39 L43 P60 E62 E65 | S38-C41 VanDerWaalsContact O-CB 3.31Å; S38-C41 WeakPolarHBondContact O-CB 3.46Å; S38-C41 PolarHBondContact O-N 2.88Å; A39-C41 VanDerWaalsContact C-N 3.28Å; A39-C41 PolarHBondContact O-N 3.17Å; C41-L43 PolarHBondContact O-N 3.41Å; C41-P60 VanDerWaalsContact SG-CG 3.51Å; C41-E62 HydrophobicContact CB-CB 3.8Å; C41-E62 WeakPolarHBondContact CB-O 3.44Å; C41-E65 WeakPolarHBondContact O-CB 3.16Å |
| 42 | A | 91.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -9.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A39 V40 S44 | A39-A42 PolarHBondContact O-N 2.83Å; V40-A42 PolarHBondContact O-N 3.09Å; A42-S44 VanDerWaalsContact C-N 3.25Å; A42-S44 PolarHBondContact O-N 3.12Å |
| 43 | L | 93.4 | Very high | 91.8 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | trans | -79.5 | 68 | -178.8 | -57 | 175.7 | 0 | 0 | 0 | 111.4 | L11 L19 L26 V40 C41 R45 L46 L66 | L11-L43 HydrophobicContact CD1-CD1 4.45Å; L11-L43 HydrophobicContact CD1-CD2 4.25Å; L11-L43 HydrophobicContact CD2-CD1 4.28Å; L19-L43 HydrophobicContact CD1-CD1 3.89Å; L19-L43 HydrophobicContact CD1-CD2 3.75Å; L19-L43 HydrophobicContact CD1-CG 4.45Å; L19-L43 HydrophobicContact CD2-CD1 4.3Å; L26-L43 HydrophobicContact CD2-CD1 3.94Å; V40-L43 VanDerWaalsContact O-CB 3.28Å; V40-L43 WeakPolarHBondContact O-CB 3.38Å; V40-L43 WeakPolarHBondContact O-CG 3.39Å; V40-L43 PolarHBondContact O-N 2.79Å; V40-L43 VanDerWaalsContact O-N 3.12Å; C41-L43 PolarHBondContact O-N 3.41Å; L43-R45 PolarHBondContact O-N 3.28Å; L43-L46 HydrophobicContact CB-CB 3.99Å; L43-L46 WeakPolarHBondContact O-CB 3.31Å; L43-L46 PolarHBondContact O-N 3.33Å; L43-L66 HydrophobicContact CB-CD2 4.4Å; L43-L66 WeakPolarHBondContact O-CD2 3.32Å | ||
| 44 | S | 91.1 | Very high | 92 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 50% | 0.497 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -20.6 | -174 | 56.6 | 0 | 0 | 0 | 0 | 116.1 | A42 E68 | A42-S44 VanDerWaalsContact C-N 3.25Å; A42-S44 PolarHBondContact O-N 3.12Å; S44-E68 WeakPolarHBondContact O-CB 3.46Å; S44-E68 VanDerWaalsContact O-CG 3.27Å; S44-E68 WeakPolarHBondContact O-CG 3.39Å |
| 45 | R | 93.4 | Very high | 92.4 | Very high | 186 Ų | 186 | 41.3 Ų | 41.3 | 70% | 0.702 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -4.2 | 177.9 | -64.5 | -174.4 | 177.7 | 177.6 | -0.2 | 114.2 | Q24 L43 Q47 | Q24-R45 VanDerWaalsContact CB-O 3.31Å; Q24-R45 WeakPolarHBondContact CB-O 3.47Å; L43-R45 PolarHBondContact O-N 3.28Å; R45-Q47 PolarHBondContact O-N 2.81Å |
| 46 | L | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -63.1 | 126.2 | -176.4 | -169.1 | 73.5 | 0 | 0 | 0 | 110.5 | L19 Q24 L26 V40 L43 L49 L66 E68 L69 | L19-L46 HydrophobicContact CD2-CD1 3.63Å; Q24-L46 WeakPolarHBondContact O-CD1 3.43Å; L26-L46 HydrophobicContact CB-CD1 3.66Å; L26-L46 HydrophobicContact CB-CD2 4.33Å; V40-L46 HydrophobicContact CG1-CD2 4.43Å; L43-L46 HydrophobicContact CB-CB 3.99Å; L43-L46 WeakPolarHBondContact O-CB 3.31Å; L43-L46 PolarHBondContact O-N 3.33Å; L46-L49 HydrophobicContact CD2-CB 3.89Å; L46-L49 HydrophobicContact CD2-CD1 4.19Å; L46-L49 HydrophobicContact CD2-CD2 4.3Å; L46-L49 HydrophobicContact CD2-CG 4.34Å; L46-L66 HydrophobicContact CB-CD2 4.34Å; L46-L66 HydrophobicContact CD2-CD1 4.36Å; L46-L66 HydrophobicContact CD2-CD2 4.39Å; L46-E68 CarbonylContact O-C 3.46Å; L46-E68 VanDerWaalsContact O-C 3.26Å; L46-L69 HydrophobicContact CD2-CD1 4.26Å; L46-L69 HydrophobicContact CG-CD1 4.25Å; L46-L69 WeakPolarHBondContact O-CA 3.21Å; L46-L69 PolarHBondContact O-N 3.46Å | ||
| 47 | Q | 95.8 | Very high | 93 | Very high | 49 Ų | 49 | 41.1 Ų | 41.1 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | trans | -104.4 | -30.6 | -179.1 | -65.6 | -175.7 | 9.6 | 0 | 0 | 112.6 | Q24 R45 R70 I71 | Q24-Q47 HydrophobicContact CB-CB 4.46Å; Q24-Q47 HydrophobicContact CB-CG 4.16Å; Q24-Q47 PolarHBondContact O-N 3.05Å; R45-Q47 PolarHBondContact O-N 2.81Å; Q47-R70 PolarHBondContact O-N 2.79Å; Q47-I71 PolarHBondContact O-N 3.05Å; Q47-I71 VanDerWaalsContact O-N 3.09Å | ||
| 48 | K | 96.6 | Very high | 93.3 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 22% | 0.217 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.7 | -178.1 | -51.1 | 178 | -173.3 | 172.9 | 0 | 109.8 | E23 Q24 Q25 L26 Y50 I71 | E23-K48 IonicContact OE2-NZ 2.84Å; E23-K48 PolarHBondContact OE2-NZ 3.11Å; Q24-K48 PolarHBondContact O-N 3.35Å; Q25-K48 CarbonylContact C-O 3.21Å; Q25-K48 VanDerWaalsContact CA-O 3.32Å; Q25-K48 WeakPolarHBondContact CA-O 3.32Å; Q25-K48 HydrophobicContact CB-CB 3.85Å; Q25-K48 HydrophobicContact CB-CD 4.34Å; Q25-K48 HydrophobicContact CB-CG 4.48Å; L26-K48 PolarHBondContact N-O 3.42Å; K48-Y50 HydrophobicContact CB-CE2 3.8Å; K48-Y50 HydrophobicContact CD-CE2 4.45Å; K48-I71 WeakPolarHBondContact CA-O 3.49Å; K48-I71 HydrophobicContact CB-CB 4.36Å; K48-I71 HydrophobicContact CD-CD1 4.25Å; K48-I71 HydrophobicContact CG-CB 4.25Å; K48-I71 HydrophobicContact CG-CD1 4.18Å; K48-I71 HydrophobicContact CG-CG1 4.38Å |
| 49 | L | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 118.4 | 177.4 | 178.4 | 55.9 | 0 | 0 | 0 | 109.6 | L26 L28 L36 V40 L46 V51 I63 L66 L69 I71 L72 A73 | L26-L49 HydrophobicContact CB-CD1 4.11Å; L26-L49 HydrophobicContact CD2-CD1 4.06Å; L26-L49 HydrophobicContact CG-CD1 4.29Å; L28-L49 HydrophobicContact CD1-CD1 4.13Å; L36-L49 HydrophobicContact CD2-CD2 4.31Å; V40-L49 HydrophobicContact CG1-CD1 4.1Å; V40-L49 HydrophobicContact CG1-CD2 3.88Å; L46-L49 HydrophobicContact CD2-CB 3.89Å; L46-L49 HydrophobicContact CD2-CD1 4.19Å; L46-L49 HydrophobicContact CD2-CD2 4.3Å; L46-L49 HydrophobicContact CD2-CG 4.34Å; L49-V51 HydrophobicContact CD1-CG2 3.66Å; L49-V51 HydrophobicContact CD2-CG2 4.21Å; L49-V51 HydrophobicContact CG-CG2 3.64Å; L49-I63 HydrophobicContact CD2-CD1 4.37Å; L49-L66 HydrophobicContact CD2-CD1 4.06Å; L49-L69 HydrophobicContact CB-CD1 3.77Å; L49-I71 PolarHBondContact N-O 3.36Å; L49-L72 HydrophobicContact CB-CD1 4.03Å; L49-L72 HydrophobicContact CD2-CD1 3.91Å; L49-L72 HydrophobicContact CG-CD1 3.97Å; L49-L72 WeakPolarHBondContact O-CA 3.17Å; L49-A73 PolarHBondContact O-N 3.04Å |
| 50 | Y | 96.1 | Very high | 93.9 | Very high | 56 Ų | 56 | 42 Ų | 42 | 22% | 0.22 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.7 | 178.9 | -55.9 | -81.9 | 0 | 0 | 0 | 109.6 | L26 E27 L28 S29 K48 I71 A73 | L26-Y50 PolarHBondContact O-N 3.13Å; E27-Y50 VanDerWaalsContact OE1-CB 3.26Å; E27-Y50 WeakPolarHBondContact OE1-CB 3.32Å; E27-Y50 WeakPolarHBondContact OE2-CB 3.45Å; L28-Y50 WeakPolarHBondContact CA-O 3.41Å; L28-Y50 WeakPolarHBondContact CB-O 3.28Å; L28-Y50 PolarHBondContact N-O 2.64Å; S29-Y50 PolarHBondContact N-O 3.37Å; K48-Y50 HydrophobicContact CB-CE2 3.8Å; K48-Y50 HydrophobicContact CD-CE2 4.45Å; Y50-I71 HydrophobicContact CE1-CG2 4.15Å; Y50-A73 HydrophobicContact CD1-CB 3.62Å; Y50-A73 HydrophobicContact CE1-CB 4.35Å; Y50-A73 HydrophobicContact CG-CB 4.48Å |
| 51 | V | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -138.7 | 34.8 | -175.8 | -157.4 | 0 | 0 | 0 | 0 | 110.2 | L28 L33 L36 L49 T54 L56 A73 L74 N77 | L28-V51 HydrophobicContact CB-CG1 4.15Å; L28-V51 HydrophobicContact CB-CG2 4.38Å; L28-V51 HydrophobicContact CD1-CG2 4.29Å; L33-V51 HydrophobicContact CD1-CG1 4.46Å; L36-V51 HydrophobicContact CD1-CG1 4.21Å; L36-V51 HydrophobicContact CD1-CG2 4.13Å; L49-V51 HydrophobicContact CD1-CG2 3.66Å; L49-V51 HydrophobicContact CD2-CG2 4.21Å; L49-V51 HydrophobicContact CG-CG2 3.64Å; V51-T54 HydrophobicContact CG1-CG2 3.85Å; V51-T54 WeakPolarHBondContact O-CG2 3.34Å; V51-T54 PolarHBondContact O-OG1 3.15Å; V51-L56 HydrophobicContact CG1-CD2 4.46Å; V51-A73 PolarHBondContact N-O 3.42Å; V51-L74 HydrophobicContact CB-CD2 4.07Å; V51-L74 HydrophobicContact CG2-CD2 4.38Å; V51-N77 PolarHBondContact O-ND2 3.27Å | ||
| 52 | S | 94.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 50.6 Ų | 50.6 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 143.5 | -174.1 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | S29 G30 T54 D75 | S29-S52 CarbonylContact C-O 3.33Å; S29-S52 WeakPolarHBondContact CA-O 3.19Å; S29-S52 WeakPolarHBondContact CB-O 3.49Å; S29-S52 PolarHBondContact OG-N 3.3Å; G30-S52 PolarHBondContact N-O 3.37Å; S52-T54 VanDerWaalsContact C-N 3.3Å; S52-T54 PolarHBondContact O-N 2.94Å; S52-D75 CarbonylContact C-O 3.59Å; S52-D75 WeakPolarHBondContact CA-O 2.98Å; S52-D75 WeakPolarHBondContact CB-O 3.46Å; S52-D75 PolarHBondContact OG-N 2.69Å |
| 53 | G | 92.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 24.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115 | D75 F76 | G53-D75 PolarHBondContact N-O 2.76Å; G53-F76 WeakPolarHBondContact CA-O 3.48Å |
| 54 | T | 90.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 47 Ų | 47 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -94.6 | -15.1 | -175 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | L28 R31 L33 V51 S52 N77 | L28-T54 WeakPolarHBondContact O-CG2 3.34Å; R31-T54 WeakPolarHBondContact O-CA 3.5Å; R31-T54 WeakPolarHBondContact O-CB 3.44Å; R31-T54 VanDerWaalsContact O-CG2 3.24Å; R31-T54 WeakPolarHBondContact O-CG2 3.12Å; L33-T54 HydrophobicContact CB-CG2 4.48Å; L33-T54 HydrophobicContact CD1-CG2 4.31Å; L33-T54 PolarHBondContact N-O 3.13Å; L33-T54 VanDerWaalsContact N-O 3.12Å; V51-T54 HydrophobicContact CG1-CG2 3.85Å; V51-T54 WeakPolarHBondContact O-CG2 3.34Å; V51-T54 PolarHBondContact O-OG1 3.15Å; S52-T54 VanDerWaalsContact C-N 3.3Å; S52-T54 PolarHBondContact O-N 2.94Å; T54-N77 PolarHBondContact N-OD1 3.07Å; T54-N77 PolarHBondContact OG1-OD1 2.93Å |
| 55 | G | 92.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 48 Ų | 48 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | trans | 83 | 19.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N77 | G55-N77 PolarHBondContact N-OD1 3.42Š| ||
| 56 | L | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -56.8 | 132.8 | 179.2 | -170.7 | 66.7 | 0 | 0 | 0 | 111.3 | L33 R35 L36 V51 E58 L59 L74 N77 K78 L79 | L33-L56 WeakPolarHBondContact O-CA 3.05Å; L33-L56 PolarHBondContact O-N 3Å; R35-L56 VanDerWaalsContact C-CD1 3.41Å; R35-L56 VanDerWaalsContact CA-CD1 3.44Å; L36-L56 HydrophobicContact CB-CD1 4.26Å; L36-L56 VanDerWaalsContact N-CD1 3.28Å; V51-L56 HydrophobicContact CG1-CD2 4.46Å; L56-E58 VanDerWaalsContact CD1-O 3.27Å; L56-E58 WeakPolarHBondContact CD1-O 3.18Å; L56-E58 WeakPolarHBondContact CG-O 3.31Å; L56-L59 HydrophobicContact CD2-CD2 3.67Å; L56-L59 HydrophobicContact CD2-CG 4.24Å; L56-L74 HydrophobicContact CD2-CD2 3.9Å; L56-N77 HydrophobicContact CB-CB 4.07Å; L56-N77 WeakPolarHBondContact CB-OD1 3.44Å; L56-N77 PolarHBondContact N-OD1 3.26Å; L56-N77 VanDerWaalsContact N-OD1 3.08Å; L56-K78 CarbonylContact O-C 3.47Å; L56-K78 VanDerWaalsContact O-C 3.29Å; L56-K78 VanDerWaalsContact O-CA 3.31Å; L56-K78 WeakPolarHBondContact O-CA 3.46Å; L56-K78 PolarHBondContact O-N 2.65Å; L56-L79 HydrophobicContact CD2-CD2 4.21Å; L56-L79 HydrophobicContact CG-CD2 4.12Å; L56-L79 PolarHBondContact O-N 2.8Å | ||
| 57 | R | 94.9 | Very high | 94.9 | Very high | 146 Ų | 146 | 44.1 Ų | 44.1 | 55% | 0.551 | 21% | 0.214 | S | C | * | . | trans | -105.7 | -27.2 | -178.9 | -66.8 | -174.7 | 178.6 | -172.1 | -3.2 | 114.1 | R34 K78 | R34-R57 PolarHBondContact O-N 2.92Å; R57-K78 HydrophobicContact CG-CB 4.19Å | ||
| 58 | E | 93.4 | Very high | 94.9 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -148.8 | 154 | -179.6 | 64.9 | -166.8 | 174.7 | 0 | 0 | 109.8 | R35 L56 | R35-E58 WeakPolarHBondContact CD-OE1 3.46Å; R35-E58 HydrophobicContact CG-CG 4.38Å; L56-E58 VanDerWaalsContact CD1-O 3.27Å; L56-E58 WeakPolarHBondContact CD1-O 3.18Å; L56-E58 WeakPolarHBondContact CG-O 3.31Å |
| 59 | L | 94.6 | Very high | 95 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | trans | -104.4 | 145.3 | 167.9 | -70.6 | 163.1 | 0 | 0 | 0 | 108.9 | L36 L56 L74 L79 L82 P83 L86 | L36-L59 HydrophobicContact CD2-CD2 4.11Å; L56-L59 HydrophobicContact CD2-CD2 3.67Å; L56-L59 HydrophobicContact CD2-CG 4.24Å; L59-L74 HydrophobicContact CD1-CD1 3.64Å; L59-L74 HydrophobicContact CD2-CD1 4.42Å; L59-L74 HydrophobicContact CD2-CD2 3.89Å; L59-L79 HydrophobicContact CD1-CD1 4.46Å; L59-L79 HydrophobicContact CG-CD2 4.29Å; L59-L82 HydrophobicContact CD1-CD2 4.21Å; L59-P83 HydrophobicContact CB-CG 3.7Å; L59-L86 HydrophobicContact CD1-CD1 3.86Å | ||
| 60 | P | 93.7 | Very high | 95 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 16% | 0.156 | 22% | 0.224 | C | C | . | . | trans | -63.9 | 151.6 | 171.1 | 27.2 | -33.8 | 0 | 0 | 0 | 111.3 | L36 C41 E62 I63 | L36-P60 HydrophobicContact CB-CG 4.4Å; L36-P60 HydrophobicContact CD2-CG 4.22Å; C41-P60 VanDerWaalsContact SG-CG 3.51Å; P60-E62 HydrophobicContact CB-CB 4.5Å; P60-E62 VanDerWaalsContact CB-OE2 3.24Å; P60-E62 WeakPolarHBondContact CB-OE2 3.42Å; P60-E62 PolarHBondContact O-N 3.46Å; P60-I63 WeakPolarHBondContact O-CB 3.44Å; P60-I63 WeakPolarHBondContact O-CG2 3.23Å; P60-I63 PolarHBondContact O-N 2.99Å | ||
| 61 | E | 93.6 | Very high | 95.1 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 39% | 0.388 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -67.5 | -30.2 | 173.4 | -77.3 | -66.8 | 159.8 | 0 | 0 | 111 | I63 E64 P83 D84 G85 R88 | E61-I63 PolarHBondContact O-N 2.65Å; E61-E64 PolarHBondContact O-N 3.47Å; E61-P83 VanDerWaalsContact CD-CB 3.41Å; E61-P83 HydrophobicContact CG-CB 4.22Å; E61-P83 WeakPolarHBondContact OE1-CA 3.31Å; E61-P83 WeakPolarHBondContact OE1-CB 3.41Å; E61-D84 PolarHBondContact OE1-N 2.81Å; E61-D84 PolarHBondContact OE2-N 3.02Å; E61-G85 PolarHBondContact OE2-N 2.94Å; E61-R88 IonicContact OE2-NH2 3.61Å |
| 62 | E | 95.4 | Very high | 95.2 | Very high | 104 Ų | 104 | 45.6 Ų | 45.6 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -61.2 | -8.1 | 177 | -61.7 | 81.1 | 177.5 | 0 | 0 | 113.3 | C41 P60 E64 E65 | C41-E62 HydrophobicContact CB-CB 3.8Å; C41-E62 WeakPolarHBondContact CB-O 3.44Å; P60-E62 HydrophobicContact CB-CB 4.5Å; P60-E62 VanDerWaalsContact CB-OE2 3.24Å; P60-E62 WeakPolarHBondContact CB-OE2 3.42Å; P60-E62 PolarHBondContact O-N 3.46Å; E62-E64 PolarHBondContact O-N 2.67Å; E62-E65 VanDerWaalsContact O-CB 3.32Å; E62-E65 WeakPolarHBondContact O-CB 3.27Å; E62-E65 PolarHBondContact O-N 2.82Å |
| 63 | I | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -52.9 | -26.6 | 171.6 | -162.2 | 74.6 | 0 | 0 | 0 | 111.7 | L36 L49 P60 E61 E65 L66 P83 L86 L89 | L36-I63 HydrophobicContact CD2-CD1 3.93Å; L49-I63 HydrophobicContact CD2-CD1 4.37Å; P60-I63 WeakPolarHBondContact O-CB 3.44Å; P60-I63 WeakPolarHBondContact O-CG2 3.23Å; P60-I63 PolarHBondContact O-N 2.99Å; E61-I63 PolarHBondContact O-N 2.65Å; I63-E65 PolarHBondContact O-N 3.42Å; I63-L66 HydrophobicContact CD1-CD1 3.57Å; I63-L66 HydrophobicContact CG1-CD1 4.31Å; I63-L66 WeakPolarHBondContact O-CB 3.24Å; I63-L66 PolarHBondContact O-N 2.88Å; I63-L66 VanDerWaalsContact O-N 3.17Å; I63-P83 HydrophobicContact CG2-CG 4.08Å; I63-L86 HydrophobicContact CG2-CB 4.06Å; I63-L89 VanDerWaalsContact O-CD2 3.3Å; I63-L89 WeakPolarHBondContact O-CD2 3.45Å |
| 64 | E | 96.4 | Very high | 95.6 | Very high | 37 Ų | 37 | 42.9 Ų | 42.9 | 17% | 0.173 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -60.7 | -20.6 | 175.9 | 72.2 | 175.9 | 124.6 | 0 | 0 | 114.8 | E61 E62 L66 R67 G85 R88 | E61-E64 PolarHBondContact O-N 3.47Å; E62-E64 PolarHBondContact O-N 2.67Å; E64-L66 PolarHBondContact O-N 3.19Å; E64-R67 WeakPolarHBondContact O-CD 3.44Å; E64-R67 PolarHBondContact O-NE 3.27Å; E64-G85 WeakPolarHBondContact CB-O 3.32Å; E64-R88 HydrophobicContact CB-CB 4.21Å; E64-R88 VanDerWaalsContact CD-NH2 3.32Å; E64-R88 IonicContact OE1-CZ 2.65Å; E64-R88 IonicContact OE1-NE 3.45Å; E64-R88 IonicContact OE1-NH2 4Å; E64-R88 PolarHBondContact OE1-NH2 3.09Å; E64-R88 IonicContact OE2-CZ 2.86Å; E64-R88 IonicContact OE2-NE 3.6Å; E64-R88 PolarHBondContact OE2-NE 3.4Å; E64-R88 IonicContact OE2-NH2 3.73Å; E64-R88 PolarHBondContact OE2-NH2 2.78Å |
| 65 | E | 97 | Very high | 95.9 | Very high | 93 Ų | 93 | 43.2 Ų | 43.2 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -73.4 | -14.3 | 178.6 | -64.2 | -54.5 | 136.4 | 0 | 0 | 112.8 | C41 E62 I63 R67 | C41-E65 WeakPolarHBondContact O-CB 3.16Å; E62-E65 VanDerWaalsContact O-CB 3.32Å; E62-E65 WeakPolarHBondContact O-CB 3.27Å; E62-E65 PolarHBondContact O-N 2.82Å; I63-E65 PolarHBondContact O-N 3.42Å; E65-R67 PolarHBondContact O-N 3.24Å |
| 66 | L | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -77.4 | 59.8 | 174.4 | -57.7 | -179.4 | 0 | 0 | 0 | 111.6 | V40 L43 L46 L49 I63 E64 E68 L69 L89 | V40-L66 WeakPolarHBondContact O-CD2 3.3Å; L43-L66 HydrophobicContact CB-CD2 4.4Å; L43-L66 WeakPolarHBondContact O-CD2 3.32Å; L46-L66 HydrophobicContact CB-CD2 4.34Å; L46-L66 HydrophobicContact CD2-CD1 4.36Å; L46-L66 HydrophobicContact CD2-CD2 4.39Å; L49-L66 HydrophobicContact CD2-CD1 4.06Å; I63-L66 HydrophobicContact CD1-CD1 3.57Å; I63-L66 HydrophobicContact CG1-CD1 4.31Å; I63-L66 WeakPolarHBondContact O-CB 3.24Å; I63-L66 PolarHBondContact O-N 2.88Å; I63-L66 VanDerWaalsContact O-N 3.17Å; E64-L66 PolarHBondContact O-N 3.19Å; L66-E68 PolarHBondContact O-N 2.69Å; L66-L69 HydrophobicContact CB-CB 3.92Å; L66-L69 HydrophobicContact CB-CD2 4.31Å; L66-L69 HydrophobicContact CD1-CD2 4.02Å; L66-L69 WeakPolarHBondContact O-CB 3.32Å; L66-L69 PolarHBondContact O-N 3.4Å; L66-L89 HydrophobicContact CB-CD2 4.16Å; L66-L89 VanDerWaalsContact O-CD2 3.31Å; L66-L89 WeakPolarHBondContact O-CD2 3.42Å | ||
| 67 | R | 95.8 | Very high | 96.2 | Very high | 106 Ų | 106 | 49.1 Ų | 49.1 | 40% | 0.4 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.5 | -172.7 | -59.6 | -62.8 | -178.7 | 173.1 | -6.9 | 114.3 | E64 E65 | E64-R67 WeakPolarHBondContact O-CD 3.44Å; E64-R67 PolarHBondContact O-NE 3.27Å; E65-R67 PolarHBondContact O-N 3.24Å |
| 68 | E | 96.8 | Very high | 96.3 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 24% | 0.243 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -3.2 | 179.4 | -66.6 | -59.2 | 148.4 | 0 | 0 | 114.3 | S44 L46 L66 R70 R91 | S44-E68 WeakPolarHBondContact O-CB 3.46Å; S44-E68 VanDerWaalsContact O-CG 3.27Å; S44-E68 WeakPolarHBondContact O-CG 3.39Å; L46-E68 CarbonylContact O-C 3.46Å; L46-E68 VanDerWaalsContact O-C 3.26Å; L66-E68 PolarHBondContact O-N 2.69Å; E68-R70 PolarHBondContact O-N 3.23Å; E68-R91 IonicContact OE1-CZ 3.42Å; E68-R91 IonicContact OE1-NH1 2.69Å; E68-R91 PolarHBondContact OE1-NH1 3.35Å; E68-R91 IonicContact OE1-NH2 3.99Å; E68-R91 IonicContact OE2-CZ 3.59Å; E68-R91 IonicContact OE2-NE 3.99Å; E68-R91 IonicContact OE2-NH1 2.58Å; E68-R91 PolarHBondContact OE2-NH1 3.16Å |
| 69 | L | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -67 | 124.6 | -174 | -162.5 | 71.4 | 0 | 0 | 0 | 111.3 | L46 L49 L66 L72 L89 R91 L92 | L46-L69 HydrophobicContact CD2-CD1 4.26Å; L46-L69 HydrophobicContact CG-CD1 4.25Å; L46-L69 WeakPolarHBondContact O-CA 3.21Å; L46-L69 PolarHBondContact O-N 3.46Å; L49-L69 HydrophobicContact CB-CD1 3.77Å; L66-L69 HydrophobicContact CB-CB 3.92Å; L66-L69 HydrophobicContact CB-CD2 4.31Å; L66-L69 HydrophobicContact CD1-CD2 4.02Å; L66-L69 WeakPolarHBondContact O-CB 3.32Å; L66-L69 PolarHBondContact O-N 3.4Å; L69-L72 HydrophobicContact CD2-CB 3.97Å; L69-L72 HydrophobicContact CD2-CD1 4.34Å; L69-L72 HydrophobicContact CD2-CD2 4.23Å; L69-L72 HydrophobicContact CD2-CG 4.42Å; L69-L89 HydrophobicContact CD2-CD1 4.11Å; L69-R91 CarbonylContact O-C 3.49Å; L69-L92 HydrophobicContact CD2-CD1 4.28Å; L69-L92 HydrophobicContact CG-CD1 4.3Å; L69-L92 WeakPolarHBondContact O-CA 3.12Å; L69-L92 PolarHBondContact O-N 3.4Å; L69-L92 VanDerWaalsContact O-N 3.13Å | ||
| 70 | R | 96.9 | Very high | 96.6 | Very high | 112 Ų | 112 | 47.7 Ų | 47.7 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | trans | -108.9 | -34 | 179.1 | -61.8 | -178 | -174.5 | -179.7 | 0.7 | 112.5 | Q47 E68 R91 T93 R94 | Q47-R70 PolarHBondContact O-N 2.79Å; E68-R70 PolarHBondContact O-N 3.23Å; R70-R91 WeakPolarHBondContact CA-O 3.41Å; R70-T93 PolarHBondContact O-N 3.02Å; R70-T93 PolarHBondContact O-OG1 2.95Å; R70-R94 PolarHBondContact O-N 2.79Å | ||
| 71 | I | 97.3 | Very high | 96.7 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.108 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.3 | -177.5 | -55 | -177.6 | 0 | 0 | 0 | 109.1 | Q47 K48 L49 Y50 R94 Y96 | Q47-I71 PolarHBondContact O-N 3.05Å; Q47-I71 VanDerWaalsContact O-N 3.09Å; K48-I71 WeakPolarHBondContact CA-O 3.49Å; K48-I71 HydrophobicContact CB-CB 4.36Å; K48-I71 HydrophobicContact CD-CD1 4.25Å; K48-I71 HydrophobicContact CG-CB 4.25Å; K48-I71 HydrophobicContact CG-CD1 4.18Å; K48-I71 HydrophobicContact CG-CG1 4.38Å; L49-I71 PolarHBondContact N-O 3.36Å; Y50-I71 HydrophobicContact CE1-CG2 4.15Å; I71-R94 WeakPolarHBondContact CA-O 3.4Å; I71-R94 HydrophobicContact CG1-CB 4.21Å; I71-R94 HydrophobicContact CG1-CG 4.41Å; I71-R94 HydrophobicContact CG2-CB 4.32Å; I71-Y96 HydrophobicContact CG2-CD2 4.48Å; I71-Y96 HydrophobicContact CG2-CE2 3.9Å |
| 72 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 113.1 | 173.1 | 179 | 54.3 | 0 | 0 | 0 | 109.6 | L49 L69 L74 L86 L92 R94 L95 Y96 | L49-L72 HydrophobicContact CB-CD1 4.03Å; L49-L72 HydrophobicContact CD2-CD1 3.91Å; L49-L72 HydrophobicContact CG-CD1 3.97Å; L49-L72 WeakPolarHBondContact O-CA 3.17Å; L69-L72 HydrophobicContact CD2-CB 3.97Å; L69-L72 HydrophobicContact CD2-CD1 4.34Å; L69-L72 HydrophobicContact CD2-CD2 4.23Å; L69-L72 HydrophobicContact CD2-CG 4.42Å; L72-L74 HydrophobicContact CD1-CD1 4.09Å; L72-L74 HydrophobicContact CD1-CD2 4.16Å; L72-L74 HydrophobicContact CD1-CG 3.91Å; L72-L74 HydrophobicContact CD2-CD1 3.78Å; L72-L74 HydrophobicContact CG-CD1 3.69Å; L72-L74 HydrophobicContact CG-CG 3.92Å; L72-L86 HydrophobicContact CD2-CD1 3.88Å; L72-L92 HydrophobicContact CB-CD1 3.82Å; L72-R94 PolarHBondContact N-O 2.99Å; L72-L95 HydrophobicContact CB-CD1 4.02Å; L72-L95 HydrophobicContact CD2-CD1 3.99Å; L72-L95 HydrophobicContact CG-CD1 3.98Å; L72-L95 WeakPolarHBondContact O-CA 3.26Å; L72-Y96 PolarHBondContact O-N 3.32Å |
| 73 | A | 97.8 | Very high | 97 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 122.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L49 Y50 V51 Y96 | L49-A73 PolarHBondContact O-N 3.04Å; Y50-A73 HydrophobicContact CD1-CB 3.62Å; Y50-A73 HydrophobicContact CE1-CB 4.35Å; Y50-A73 HydrophobicContact CG-CB 4.48Å; V51-A73 PolarHBondContact N-O 3.42Å; A73-Y96 HydrophobicContact CB-CD2 3.78Å |
| 74 | L | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -134.8 | 22.2 | -174.6 | -65 | 163.4 | 0 | 0 | 0 | 111.3 | V51 L56 L59 L72 N77 L79 L95 Y96 L97 N100 | V51-L74 HydrophobicContact CB-CD2 4.07Å; V51-L74 HydrophobicContact CG2-CD2 4.38Å; L56-L74 HydrophobicContact CD2-CD2 3.9Å; L59-L74 HydrophobicContact CD1-CD1 3.64Å; L59-L74 HydrophobicContact CD2-CD1 4.42Å; L59-L74 HydrophobicContact CD2-CD2 3.89Å; L72-L74 HydrophobicContact CD1-CD1 4.09Å; L72-L74 HydrophobicContact CD1-CD2 4.16Å; L72-L74 HydrophobicContact CD1-CG 3.91Å; L72-L74 HydrophobicContact CD2-CD1 3.78Å; L72-L74 HydrophobicContact CG-CD1 3.69Å; L72-L74 HydrophobicContact CG-CG 3.92Å; L74-N77 VanDerWaalsContact C-ND2 3.33Å; L74-N77 PolarHBondContact O-ND2 3.06Å; L74-L79 HydrophobicContact CB-CD1 4.1Å; L74-L79 HydrophobicContact CD1-CD1 4.2Å; L74-L95 HydrophobicContact CD1-CD1 4.33Å; L74-Y96 CarbonylContact C-O 3.55Å; L74-Y96 WeakPolarHBondContact CA-O 3.38Å; L74-Y96 WeakPolarHBondContact CB-O 2.95Å; L74-Y96 PolarHBondContact N-O 3.03Å; L74-L97 HydrophobicContact CB-CD2 3.98Å; L74-L97 HydrophobicContact CD1-CD2 3.74Å; L74-N100 PolarHBondContact O-ND2 3.16Å | ||
| 75 | D | 96.1 | Very high | 97 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 9% | 0.086 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 154.4 | -177 | -52.9 | -67.7 | 0 | 0 | 0 | 111.9 | S52 G53 N77 Y96 L97 G98 | S52-D75 CarbonylContact C-O 3.59Å; S52-D75 WeakPolarHBondContact CA-O 2.98Å; S52-D75 WeakPolarHBondContact CB-O 3.46Å; S52-D75 PolarHBondContact OG-N 2.69Å; G53-D75 PolarHBondContact N-O 2.76Å; D75-N77 PolarHBondContact O-N 2.92Å; D75-N77 PolarHBondContact O-ND2 3.05Å; D75-Y96 VanDerWaalsContact OD1-CB 3.3Å; D75-Y96 WeakPolarHBondContact OD1-CB 3.5Å; D75-Y96 WeakPolarHBondContact OD2-CB 3.28Å; D75-L97 PolarHBondContact OD1-N 3Å; D75-G98 CarbonylContact C-O 3.27Å; D75-G98 WeakPolarHBondContact CA-O 3.43Å; D75-G98 WeakPolarHBondContact OD1-CA 3.45Å; D75-G98 PolarHBondContact OD1-N 3.03Å |
| 76 | F | 96.5 | Very high | 97 | Very high | 136 Ų | 136 | 44.3 Ų | 44.3 | 60% | 0.596 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 36.6 | 173.7 | -49.9 | -67.5 | 0 | 0 | 0 | 113.8 | G53 G98 | G53-F76 WeakPolarHBondContact CA-O 3.48Å; F76-G98 PolarHBondContact N-O 3.02Å |
| 77 | N | 96.8 | Very high | 97 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.043 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -103.5 | -163.2 | 173.4 | -78.3 | -52.7 | 0 | 0 | 0 | 111.4 | V51 T54 G55 L56 L74 D75 L79 N100 | V51-N77 PolarHBondContact O-ND2 3.27Å; T54-N77 PolarHBondContact N-OD1 3.07Å; T54-N77 PolarHBondContact OG1-OD1 2.93Å; G55-N77 PolarHBondContact N-OD1 3.42Å; L56-N77 HydrophobicContact CB-CB 4.07Å; L56-N77 WeakPolarHBondContact CB-OD1 3.44Å; L56-N77 PolarHBondContact N-OD1 3.26Å; L56-N77 VanDerWaalsContact N-OD1 3.08Å; L74-N77 VanDerWaalsContact C-ND2 3.33Å; L74-N77 PolarHBondContact O-ND2 3.06Å; D75-N77 PolarHBondContact O-N 2.92Å; D75-N77 PolarHBondContact O-ND2 3.05Å; N77-L79 HydrophobicContact CB-CG 4.31Å; N77-N100 WeakPolarHBondContact CA-OD1 3.33Å; N77-N100 WeakPolarHBondContact CB-OD1 3.24Å |
| 78 | K | 97.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | trans | -125.1 | 30.1 | -178.4 | -61.7 | 178.1 | 178.9 | 172.3 | 0 | 110.9 | L56 R57 E80 N100 | L56-K78 CarbonylContact O-C 3.47Å; L56-K78 VanDerWaalsContact O-C 3.29Å; L56-K78 VanDerWaalsContact O-CA 3.31Å; L56-K78 WeakPolarHBondContact O-CA 3.46Å; L56-K78 PolarHBondContact O-N 2.65Å; R57-K78 HydrophobicContact CG-CB 4.19Å; K78-E80 PolarHBondContact O-N 3.24Å; K78-N100 PolarHBondContact N-OD1 3.13Å | ||
| 79 | L | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -66.6 | 121.7 | -179.4 | -61.6 | 171.5 | 0 | 0 | 0 | 109.8 | L56 L59 L74 N77 L82 L97 N100 R101 L102 | L56-L79 HydrophobicContact CD2-CD2 4.21Å; L56-L79 HydrophobicContact CG-CD2 4.12Å; L56-L79 PolarHBondContact O-N 2.8Å; L59-L79 HydrophobicContact CD1-CD1 4.46Å; L59-L79 HydrophobicContact CG-CD2 4.29Å; L74-L79 HydrophobicContact CB-CD1 4.1Å; L74-L79 HydrophobicContact CD1-CD1 4.2Å; N77-L79 HydrophobicContact CB-CG 4.31Å; L79-L82 HydrophobicContact CD1-CD2 4.13Å; L79-L97 HydrophobicContact CD1-CD2 4.03Å; L79-N100 HydrophobicContact CB-CB 4.29Å; L79-N100 VanDerWaalsContact CB-OD1 3.31Å; L79-N100 WeakPolarHBondContact CB-OD1 3.29Å; L79-N100 WeakPolarHBondContact CG-OD1 3.45Å; L79-N100 PolarHBondContact N-OD1 2.81Å; L79-R101 CarbonylContact O-C 3.39Å; L79-R101 VanDerWaalsContact O-C 3.27Å; L79-R101 VanDerWaalsContact O-CA 3.32Å; L79-R101 WeakPolarHBondContact O-CA 3.26Å; L79-R101 WeakPolarHBondContact O-CB 3.38Å; L79-R101 PolarHBondContact O-N 3.03Å; L79-L102 HydrophobicContact CB-CD2 4.26Å; L79-L102 PolarHBondContact O-N 2.75Å | ||
| 80 | E | 97.3 | Very high | 97.1 | Very high | 120 Ų | 120 | 44 Ų | 44 | 56% | 0.561 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -96.7 | -24.1 | 174.8 | -67.8 | 179.3 | -168.8 | 0 | 0 | 111.9 | K78 R101 | K78-E80 PolarHBondContact O-N 3.24Å; E80-R101 HydrophobicContact CG-CB 3.92Å |
| 81 | R | 96.8 | Very high | 97.1 | Very high | 171 Ų | 171 | 44.3 Ų | 44.3 | 65% | 0.645 | 20% | 0.199 | S | C | * | . | trans | -146.9 | 159.4 | 177.5 | 55.2 | -178.2 | 141 | 95.7 | 4.5 | 110.3 | ||||
| 82 | L | 97.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | trans | -109.2 | 144.1 | 170.6 | -57.5 | 174.3 | 0 | 0 | 0 | 108.8 | L59 L79 L86 L97 L102 L105 P106 F109 | L59-L82 HydrophobicContact CD1-CD2 4.21Å; L79-L82 HydrophobicContact CD1-CD2 4.13Å; L82-L86 HydrophobicContact CD1-CD2 4.42Å; L82-L86 HydrophobicContact CD2-CD1 4.43Å; L82-L97 HydrophobicContact CD1-CD1 3.69Å; L82-L97 HydrophobicContact CD1-CD2 4.46Å; L82-L97 HydrophobicContact CD2-CD1 4.49Å; L82-L97 HydrophobicContact CD2-CD2 3.75Å; L82-L102 HydrophobicContact CD1-CD1 4.44Å; L82-L102 HydrophobicContact CD2-CD2 4.3Å; L82-L102 HydrophobicContact CG-CD2 4.09Å; L82-L105 HydrophobicContact CD1-CD2 3.88Å; L82-P106 HydrophobicContact CB-CG 3.86Å; L82-F109 HydrophobicContact CD1-CE2 4.06Å | ||
| 83 | P | 96.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 7% | 0.071 | 20% | 0.2 | C | C | . | . | trans | -69.5 | 155.3 | 174.2 | 29.9 | -34.9 | 0 | 0 | 0 | 110.9 | L59 E61 I63 G85 L86 | L59-P83 HydrophobicContact CB-CG 3.7Å; E61-P83 VanDerWaalsContact CD-CB 3.41Å; E61-P83 HydrophobicContact CG-CB 4.22Å; E61-P83 WeakPolarHBondContact OE1-CA 3.31Å; E61-P83 WeakPolarHBondContact OE1-CB 3.41Å; I63-P83 HydrophobicContact CG2-CG 4.08Å; P83-G85 PolarHBondContact O-N 3.29Å; P83-L86 HydrophobicContact CG-CB 4.15Å; P83-L86 WeakPolarHBondContact O-CB 3.34Å; P83-L86 PolarHBondContact O-N 2.96Å | ||
| 84 | D | 95.6 | Very high | 97.2 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 40% | 0.401 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -68.6 | -30 | 177.3 | -72.8 | -25.7 | 0 | 0 | 0 | 110.9 | E61 L86 C87 | E61-D84 PolarHBondContact OE1-N 2.81Å; E61-D84 PolarHBondContact OE2-N 3.02Å; D84-L86 PolarHBondContact O-N 3.22Å; D84-C87 VanDerWaalsContact O-CB 3.29Å; D84-C87 WeakPolarHBondContact O-CB 3.21Å; D84-C87 PolarHBondContact O-N 3.18Å |
| 85 | G | 96.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -55.2 | -32.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E61 E64 P83 C87 R88 | E61-G85 PolarHBondContact OE2-N 2.94Å; E64-G85 WeakPolarHBondContact CB-O 3.32Å; P83-G85 PolarHBondContact O-N 3.29Å; G85-C87 PolarHBondContact O-N 3.02Å; G85-R88 PolarHBondContact O-N 3.37Å |
| 86 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -60.1 | -33.7 | 175 | 179 | 144.8 | 0 | 0 | 0 | 111.6 | L59 I63 L72 L82 P83 D84 R88 L89 L95 F109 L112 | L59-L86 HydrophobicContact CD1-CD1 3.86Å; I63-L86 HydrophobicContact CG2-CB 4.06Å; L72-L86 HydrophobicContact CD2-CD1 3.88Å; L82-L86 HydrophobicContact CD1-CD2 4.42Å; L82-L86 HydrophobicContact CD2-CD1 4.43Å; P83-L86 HydrophobicContact CG-CB 4.15Å; P83-L86 WeakPolarHBondContact O-CB 3.34Å; P83-L86 PolarHBondContact O-N 2.96Å; D84-L86 PolarHBondContact O-N 3.22Å; L86-R88 PolarHBondContact O-N 3.15Å; L86-L89 HydrophobicContact CG-CD1 4.46Å; L86-L89 WeakPolarHBondContact O-CG 3.5Å; L86-L95 HydrophobicContact CD1-CD1 4.5Å; L86-L95 HydrophobicContact CD2-CD2 3.99Å; L86-F109 HydrophobicContact CD2-CD2 4.48Å; L86-F109 HydrophobicContact CD2-CE2 4.08Å; L86-L112 HydrophobicContact CD2-CD1 4.11Å; L86-L112 WeakPolarHBondContact O-CD2 3.22Å |
| 87 | C | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -72.4 | -15.6 | -179.3 | -56 | 0 | 0 | 0 | 0 | 112.9 | D84 G85 D108 F109 Q111 | D84-C87 VanDerWaalsContact O-CB 3.29Å; D84-C87 WeakPolarHBondContact O-CB 3.21Å; D84-C87 PolarHBondContact O-N 3.18Å; G85-C87 PolarHBondContact O-N 3.02Å; C87-D108 HydrophobicContact CB-CB 4.13Å; C87-D108 WeakPolarHBondContact CB-O 3.49Å; C87-F109 VanDerWaalsContact SG-CA 3.58Å; C87-Q111 VanDerWaalsContact O-CB 3.23Å; C87-Q111 WeakPolarHBondContact O-CB 3.26Å |
| 88 | R | 97.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 38.7 Ų | 38.7 | 31% | 0.313 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -93.5 | 9.8 | -177.9 | -62.5 | -169.3 | -71.6 | -91.2 | 3.2 | 113.6 | E61 E64 G85 L86 P90 | E61-R88 IonicContact OE2-NH2 3.61Å; E64-R88 HydrophobicContact CB-CB 4.21Å; E64-R88 VanDerWaalsContact CD-NH2 3.32Å; E64-R88 IonicContact OE1-CZ 2.65Å; E64-R88 IonicContact OE1-NE 3.45Å; E64-R88 IonicContact OE1-NH2 4Å; E64-R88 PolarHBondContact OE1-NH2 3.09Å; E64-R88 IonicContact OE2-CZ 2.86Å; E64-R88 IonicContact OE2-NE 3.6Å; E64-R88 PolarHBondContact OE2-NE 3.4Å; E64-R88 IonicContact OE2-NH2 3.73Å; E64-R88 PolarHBondContact OE2-NH2 2.78Å; G85-R88 PolarHBondContact O-N 3.37Å; L86-R88 PolarHBondContact O-N 3.15Å; R88-P90 VanDerWaalsContact O-CD 3.25Å; R88-P90 WeakPolarHBondContact O-CD 3.39Å |
| 89 | L | 97.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | trans | -77.6 | 105.5 | 175.8 | -69.4 | 174.6 | 0 | 0 | 0 | 111.3 | I63 L66 L69 L86 R91 L92 L112 | I63-L89 VanDerWaalsContact O-CD2 3.3Å; I63-L89 WeakPolarHBondContact O-CD2 3.45Å; L66-L89 HydrophobicContact CB-CD2 4.16Å; L66-L89 VanDerWaalsContact O-CD2 3.31Å; L66-L89 WeakPolarHBondContact O-CD2 3.42Å; L69-L89 HydrophobicContact CD2-CD1 4.11Å; L86-L89 HydrophobicContact CG-CD1 4.46Å; L86-L89 WeakPolarHBondContact O-CG 3.5Å; L89-R91 VanDerWaalsContact C-N 3.34Å; L89-R91 PolarHBondContact O-N 2.95Å; L89-L92 HydrophobicContact CB-CB 3.93Å; L89-L92 HydrophobicContact CD1-CD1 4.5Å; L89-L92 HydrophobicContact CD1-CD2 4.07Å; L89-L112 HydrophobicContact CB-CD2 4.21Å | ||
| 90 | P | 96.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 36.2 Ų | 36.2 | 43% | 0.429 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.5 | -167.1 | 30.3 | -34.9 | 0 | 0 | 0 | 113.5 | R88 S114 | R88-P90 VanDerWaalsContact O-CD 3.25Å; R88-P90 WeakPolarHBondContact O-CD 3.39Å; P90-S114 WeakPolarHBondContact O-CB 3.36Å; P90-S114 PolarHBondContact O-OG 2.61Å |
| 91 | R | 97.4 | Very high | 97.4 | Very high | 118 Ų | 118 | 35.8 Ų | 35.8 | 45% | 0.445 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 4.5 | -174.1 | -66.8 | -170.6 | 173.8 | 166.3 | 11.2 | 113.9 | E68 L69 R70 L89 T93 | E68-R91 IonicContact OE1-CZ 3.42Å; E68-R91 IonicContact OE1-NH1 2.69Å; E68-R91 PolarHBondContact OE1-NH1 3.35Å; E68-R91 IonicContact OE1-NH2 3.99Å; E68-R91 IonicContact OE2-CZ 3.59Å; E68-R91 IonicContact OE2-NE 3.99Å; E68-R91 IonicContact OE2-NH1 2.58Å; E68-R91 PolarHBondContact OE2-NH1 3.16Å; L69-R91 CarbonylContact O-C 3.49Å; R70-R91 WeakPolarHBondContact CA-O 3.41Å; L89-R91 VanDerWaalsContact C-N 3.34Å; L89-R91 PolarHBondContact O-N 2.95Å; R91-T93 PolarHBondContact O-N 3.31Å |
| 92 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -67.7 | 118.3 | -177.4 | -167.4 | 70.3 | 0 | 0 | 0 | 110.1 | L69 L72 L89 L95 L112 S114 L115 | L69-L92 HydrophobicContact CD2-CD1 4.28Å; L69-L92 HydrophobicContact CG-CD1 4.3Å; L69-L92 WeakPolarHBondContact O-CA 3.12Å; L69-L92 PolarHBondContact O-N 3.4Å; L69-L92 VanDerWaalsContact O-N 3.13Å; L72-L92 HydrophobicContact CB-CD1 3.82Å; L89-L92 HydrophobicContact CB-CB 3.93Å; L89-L92 HydrophobicContact CD1-CD1 4.5Å; L89-L92 HydrophobicContact CD1-CD2 4.07Å; L92-L95 HydrophobicContact CD2-CB 4.13Å; L92-L95 HydrophobicContact CD2-CD1 4.47Å; L92-L95 HydrophobicContact CD2-CD2 4.18Å; L92-L112 HydrophobicContact CB-CD2 4.27Å; L92-L112 HydrophobicContact CD2-CD1 4.39Å; L92-L112 HydrophobicContact CD2-CD2 4.1Å; L92-S114 CarbonylContact O-C 3.48Å; L92-S114 WeakPolarHBondContact O-CB 3.37Å; L92-L115 HydrophobicContact CD2-CD1 4.32Å; L92-L115 HydrophobicContact CG-CD1 4.19Å; L92-L115 WeakPolarHBondContact O-CA 3.39Å; L92-L115 PolarHBondContact O-N 2.76Å | ||
| 93 | T | 97.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 12% | 0.123 | 16% | 0.158 | C | C | . | . | trans | -109 | -31.5 | -178.1 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | R70 R91 R116 C117 | R70-T93 PolarHBondContact O-N 3.02Å; R70-T93 PolarHBondContact O-OG1 2.95Å; R91-T93 PolarHBondContact O-N 3.31Å; T93-R116 PolarHBondContact O-N 3.21Å; T93-C117 PolarHBondContact O-N 2.85Å | ||
| 94 | R | 98.1 | Very high | 97.6 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 11% | 0.106 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 126.7 | -178.8 | -55.1 | -174.4 | 175.5 | -180 | -0.8 | 110.1 | R70 I71 L72 Y96 C117 E262 D263 | R70-R94 PolarHBondContact O-N 2.79Å; I71-R94 WeakPolarHBondContact CA-O 3.4Å; I71-R94 HydrophobicContact CG1-CB 4.21Å; I71-R94 HydrophobicContact CG1-CG 4.41Å; I71-R94 HydrophobicContact CG2-CB 4.32Å; L72-R94 PolarHBondContact N-O 2.99Å; R94-Y96 HydrophobicContact CB-CE2 4.13Å; R94-C117 WeakPolarHBondContact CA-O 3.43Å; R94-C117 HydrophobicContact CB-CB 4.41Å; R94-C117 HydrophobicContact CG-CB 4.08Å; R94-E262 IonicContact CZ-OE2 3.61Å; R94-E262 VanDerWaalsContact CZ-OE2 3.28Å; R94-E262 IonicContact NH1-OE1 3.28Å; R94-E262 IonicContact NH1-OE2 3.37Å; R94-E262 PolarHBondContact NH1-OE2 3.33Å; R94-E262 IonicContact NH2-OE2 2.76Å; R94-E262 PolarHBondContact NH2-OE2 2.86Å; R94-D263 IonicContact CZ-OD1 3.34Å; R94-D263 IonicContact NE-OD1 3.3Å; R94-D263 PolarHBondContact NE-OD1 3.4Å; R94-D263 IonicContact NH2-OD1 3.86Å; R94-D263 PolarHBondContact NH2-OD1 3.21Å; R94-D263 VanDerWaalsContact NH2-OD1 3.11Å; R94-D263 IonicContact NH2-OD2 3.07Å |
| 95 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 119.2 | 178.5 | 177.3 | 56 | 0 | 0 | 0 | 109.9 | L72 L74 L86 L92 L97 F109 L112 L115 C117 L118 W119 | L72-L95 HydrophobicContact CB-CD1 4.02Å; L72-L95 HydrophobicContact CD2-CD1 3.99Å; L72-L95 HydrophobicContact CG-CD1 3.98Å; L72-L95 WeakPolarHBondContact O-CA 3.26Å; L74-L95 HydrophobicContact CD1-CD1 4.33Å; L86-L95 HydrophobicContact CD1-CD1 4.5Å; L86-L95 HydrophobicContact CD2-CD2 3.99Å; L92-L95 HydrophobicContact CD2-CB 4.13Å; L92-L95 HydrophobicContact CD2-CD1 4.47Å; L92-L95 HydrophobicContact CD2-CD2 4.18Å; L95-L97 HydrophobicContact CD1-CD1 4.23Å; L95-L97 HydrophobicContact CD1-CD2 4.34Å; L95-L97 HydrophobicContact CD1-CG 4Å; L95-L97 HydrophobicContact CD2-CD1 3.84Å; L95-L97 HydrophobicContact CD2-CG 4.5Å; L95-L97 HydrophobicContact CG-CD1 3.84Å; L95-L97 HydrophobicContact CG-CG 3.99Å; L95-F109 HydrophobicContact CD2-CE2 3.98Å; L95-F109 HydrophobicContact CD2-CZ 3.78Å; L95-L112 HydrophobicContact CD2-CD1 4.41Å; L95-L115 HydrophobicContact CB-CD1 3.81Å; L95-C117 PolarHBondContact N-O 3.13Å; L95-L118 HydrophobicContact CB-CD1 4.04Å; L95-L118 HydrophobicContact CD2-CD1 4.02Å; L95-L118 HydrophobicContact CG-CD1 3.99Å; L95-L118 WeakPolarHBondContact O-CA 3.48Å; L95-W119 PolarHBondContact O-N 3.05Å |
| 96 | Y | 98.3 | Very high | 97.7 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.7 | 179.2 | -46.3 | -79.1 | 0 | 0 | 0 | 110.9 | I71 L72 A73 L74 D75 R94 W119 I266 | I71-Y96 HydrophobicContact CG2-CD2 4.48Å; I71-Y96 HydrophobicContact CG2-CE2 3.9Å; L72-Y96 PolarHBondContact O-N 3.32Å; A73-Y96 HydrophobicContact CB-CD2 3.78Å; L74-Y96 CarbonylContact C-O 3.55Å; L74-Y96 WeakPolarHBondContact CA-O 3.38Å; L74-Y96 WeakPolarHBondContact CB-O 2.95Å; L74-Y96 PolarHBondContact N-O 3.03Å; D75-Y96 VanDerWaalsContact OD1-CB 3.3Å; D75-Y96 WeakPolarHBondContact OD1-CB 3.5Å; D75-Y96 WeakPolarHBondContact OD2-CB 3.28Å; R94-Y96 HydrophobicContact CB-CE2 4.13Å; Y96-W119 HydrophobicContact CD1-CB 3.88Å; Y96-W119 AromaticContact CD1-CD2 3.48Å; Y96-W119 HydrophobicContact CD1-CD2 3.48Å; Y96-W119 VanDerWaalsContact CD1-CD2 3.48Å; Y96-W119 AromaticContact CD1-CE3 3.68Å; Y96-W119 HydrophobicContact CD1-CE3 3.68Å; Y96-W119 AromaticContact CD1-CG 3.58Å; Y96-W119 HydrophobicContact CD1-CG 3.58Å; Y96-W119 HydrophobicContact CD1-CZ3 4.38Å; Y96-W119 AromaticContact CE1-CD2 3.82Å; Y96-W119 HydrophobicContact CE1-CD2 3.82Å; Y96-W119 AromaticContact CE1-CE2 3.85Å; Y96-W119 HydrophobicContact CE1-CE3 4.21Å; Y96-W119 HydrophobicContact CE1-CG 4.08Å; Y96-W119 HydrophobicContact CE1-CZ2 4.31Å; Y96-I266 WeakPolarHBondContact OH-CD1 3.21Å |
| 97 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -134.6 | 18.9 | -174.7 | -67 | 164.2 | 0 | 0 | 0 | 111 | L74 D75 L79 L82 L95 N100 L102 L118 W119 I120 N123 | L74-L97 HydrophobicContact CB-CD2 3.98Å; L74-L97 HydrophobicContact CD1-CD2 3.74Å; D75-L97 PolarHBondContact OD1-N 3Å; L79-L97 HydrophobicContact CD1-CD2 4.03Å; L82-L97 HydrophobicContact CD1-CD1 3.69Å; L82-L97 HydrophobicContact CD1-CD2 4.46Å; L82-L97 HydrophobicContact CD2-CD1 4.49Å; L82-L97 HydrophobicContact CD2-CD2 3.75Å; L95-L97 HydrophobicContact CD1-CD1 4.23Å; L95-L97 HydrophobicContact CD1-CD2 4.34Å; L95-L97 HydrophobicContact CD1-CG 4Å; L95-L97 HydrophobicContact CD2-CD1 3.84Å; L95-L97 HydrophobicContact CD2-CG 4.5Å; L95-L97 HydrophobicContact CG-CD1 3.84Å; L95-L97 HydrophobicContact CG-CG 3.99Å; L97-N100 PolarHBondContact O-ND2 3.2Å; L97-L102 HydrophobicContact CB-CD1 4.18Å; L97-L102 HydrophobicContact CD1-CD1 4.13Å; L97-L102 HydrophobicContact CD2-CD1 4.48Å; L97-L118 HydrophobicContact CD1-CD1 4.36Å; L97-W119 CarbonylContact C-O 3.11Å; L97-W119 WeakPolarHBondContact CA-O 3.38Å; L97-W119 VanDerWaalsContact CB-O 3.29Å; L97-W119 WeakPolarHBondContact CB-O 3.35Å; L97-W119 PolarHBondContact N-O 3.37Å; L97-I120 HydrophobicContact CB-CG2 3.91Å; L97-I120 HydrophobicContact CD1-CG2 3.83Å; L97-N123 PolarHBondContact O-ND2 3.38Å | ||
| 98 | G | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 144.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D75 F76 N100 E121 | D75-G98 CarbonylContact C-O 3.27Å; D75-G98 WeakPolarHBondContact CA-O 3.43Å; D75-G98 WeakPolarHBondContact OD1-CA 3.45Å; D75-G98 PolarHBondContact OD1-N 3.03Å; F76-G98 PolarHBondContact N-O 3.02Å; G98-N100 PolarHBondContact O-N 2.91Å; G98-N100 PolarHBondContact O-ND2 2.75Å; G98-E121 CarbonylContact C-O 3.25Å; G98-E121 VanDerWaalsContact CA-O 3.25Å; G98-E121 WeakPolarHBondContact CA-O 3.43Å; G98-E121 WeakPolarHBondContact CA-OE1 3.35Å |
| 99 | G | 96.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 29% | 0.289 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 35.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E121 G122 | G99-E121 PolarHBondContact N-O 3.28Å; G99-G122 WeakPolarHBondContact CA-O 3.4Å |
| 100 | N | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -103 | -160.2 | 173.9 | -84 | -76.8 | 0 | 0 | 0 | 111.3 | L74 N77 K78 L79 L97 G98 L102 N123 | L74-N100 PolarHBondContact O-ND2 3.16Å; N77-N100 WeakPolarHBondContact CA-OD1 3.33Å; N77-N100 WeakPolarHBondContact CB-OD1 3.24Å; K78-N100 PolarHBondContact N-OD1 3.13Å; L79-N100 HydrophobicContact CB-CB 4.29Å; L79-N100 VanDerWaalsContact CB-OD1 3.31Å; L79-N100 WeakPolarHBondContact CB-OD1 3.29Å; L79-N100 WeakPolarHBondContact CG-OD1 3.45Å; L79-N100 PolarHBondContact N-OD1 2.81Å; L97-N100 PolarHBondContact O-ND2 3.2Å; G98-N100 PolarHBondContact O-N 2.91Å; G98-N100 PolarHBondContact O-ND2 2.75Å; N100-L102 HydrophobicContact CB-CG 4.26Å; N100-N123 WeakPolarHBondContact CA-OD1 3.13Å; N100-N123 WeakPolarHBondContact CB-OD1 3.36Å; N100-N123 PolarHBondContact O-OD1 2.88Å |
| 101 | R | 98.1 | Very high | 97.5 | Very high | 111 Ų | 111 | 37.3 Ų | 37.3 | 42% | 0.419 | 20% | 0.204 | S | C | . | . | trans | -123.2 | 25.9 | -178.9 | -56.4 | -177.3 | 174.7 | -171.8 | -7.1 | 112.3 | L79 E80 L103 N123 F124 | L79-R101 CarbonylContact O-C 3.39Å; L79-R101 VanDerWaalsContact O-C 3.27Å; L79-R101 VanDerWaalsContact O-CA 3.32Å; L79-R101 WeakPolarHBondContact O-CA 3.26Å; L79-R101 WeakPolarHBondContact O-CB 3.38Å; L79-R101 PolarHBondContact O-N 3.03Å; E80-R101 HydrophobicContact CG-CB 3.92Å; R101-L103 PolarHBondContact O-N 2.89Å; R101-N123 PolarHBondContact N-OD1 3.01Å; R101-F124 HydrophobicContact CB-CD2 4.11Å; R101-F124 HydrophobicContact CB-CE2 3.89Å; R101-F124 HydrophobicContact CG-CE2 3.97Å | ||
| 102 | L | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | trans | -67.3 | 132 | -174.3 | -59.7 | 172.9 | 0 | 0 | 0 | 111 | L79 L82 L97 N100 L105 N123 F124 | L79-L102 HydrophobicContact CB-CD2 4.26Å; L79-L102 PolarHBondContact O-N 2.75Å; L82-L102 HydrophobicContact CD1-CD1 4.44Å; L82-L102 HydrophobicContact CD2-CD2 4.3Å; L82-L102 HydrophobicContact CG-CD2 4.09Å; L97-L102 HydrophobicContact CB-CD1 4.18Å; L97-L102 HydrophobicContact CD1-CD1 4.13Å; L97-L102 HydrophobicContact CD2-CD1 4.48Å; N100-L102 HydrophobicContact CB-CG 4.26Å; L102-L105 HydrophobicContact CD1-CD2 4.39Å; L102-N123 HydrophobicContact CB-CB 4.29Å; L102-N123 VanDerWaalsContact CB-OD1 3.27Å; L102-N123 WeakPolarHBondContact CB-OD1 3.29Å; L102-N123 WeakPolarHBondContact CG-OD1 3.3Å; L102-N123 PolarHBondContact N-OD1 2.99Å; L102-F124 CarbonylContact O-C 3.58Å; L102-F124 WeakPolarHBondContact O-CA 3.35Å; L102-F124 PolarHBondContact O-N 3.36Å | ||
| 103 | L | 97.8 | Very high | 97.5 | Very high | 112 Ų | 112 | 35.9 Ų | 35.9 | 59% | 0.586 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -99.7 | -24.7 | 173.3 | -68.5 | 167.2 | 0 | 0 | 0 | 112.4 | R101 F124 L125 | R101-L103 PolarHBondContact O-N 2.89Å; L103-F124 HydrophobicContact CD2-CB 3.72Å; L103-L125 WeakPolarHBondContact O-CD2 3.37Å |
| 104 | A | 97.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 37 Ų | 37 | 50% | 0.504 | 21% | 0.21 | S | C | . | . | trans | -157 | 167.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 105 | L | 97.9 | Very high | 97.4 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | trans | -100.7 | 154.5 | 165.9 | -61.7 | 178 | 0 | 0 | 0 | 109.5 | L82 L102 F109 L118 I120 P129 L132 | L82-L105 HydrophobicContact CD1-CD2 3.88Å; L102-L105 HydrophobicContact CD1-CD2 4.39Å; L105-F109 HydrophobicContact CB-CB 4.29Å; L105-F109 HydrophobicContact CB-CD2 4.07Å; L105-F109 HydrophobicContact CB-CG 4.13Å; L105-F109 HydrophobicContact CD1-CD1 3.93Å; L105-F109 HydrophobicContact CD1-CD2 4.24Å; L105-F109 HydrophobicContact CD1-CE1 3.86Å; L105-F109 HydrophobicContact CD1-CE2 4.15Å; L105-F109 HydrophobicContact CD1-CG 4.1Å; L105-F109 HydrophobicContact CD1-CZ 3.95Å; L105-F109 HydrophobicContact CD2-CD2 4.33Å; L105-F109 HydrophobicContact CD2-CE2 4.01Å; L105-F109 HydrophobicContact CD2-CZ 4.39Å; L105-F109 HydrophobicContact CG-CD2 4.44Å; L105-F109 HydrophobicContact CG-CE2 4.48Å; L105-L118 HydrophobicContact CD1-CD2 4.49Å; L105-I120 HydrophobicContact CD1-CD1 4.49Å; L105-P129 HydrophobicContact CB-CB 4.24Å; L105-P129 HydrophobicContact CD1-CB 3.82Å; L105-P129 HydrophobicContact CD1-CG 3.92Å; L105-P129 HydrophobicContact CG-CB 4.08Å; L105-P129 HydrophobicContact CG-CG 4.09Å; L105-L132 HydrophobicContact CD1-CD1 4.19Å; L105-L132 HydrophobicContact CD1-CD2 3.87Å; L105-L132 HydrophobicContact CD1-CG 4.11Å | ||
| 106 | P | 96.7 | Very high | 97.4 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | trans | -53 | 152 | 173.9 | -26.2 | 33.9 | 0 | 0 | 0 | 113.1 | L82 D108 F109 | L82-P106 HydrophobicContact CB-CG 3.86Å; P106-D108 PolarHBondContact O-N 2.92Å; P106-F109 VanDerWaalsContact O-CB 3.27Å; P106-F109 WeakPolarHBondContact O-CB 3.4Å; P106-F109 PolarHBondContact O-N 2.83Å | ||
| 107 | A | 94.2 | Very high | 97.3 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 68% | 0.678 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -61.3 | -35.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F109 | A107-F109 VanDerWaalsContact C-N 3.27Å; A107-F109 PolarHBondContact O-N 3.32Å |
| 108 | D | 96.4 | Very high | 97.4 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -83.7 | 5.9 | -178.6 | -78.1 | -18.5 | 0 | 0 | 0 | 114.2 | C87 P106 A110 Q111 | C87-D108 HydrophobicContact CB-CB 4.13Å; C87-D108 WeakPolarHBondContact CB-O 3.49Å; P106-D108 PolarHBondContact O-N 2.92Å; D108-A110 PolarHBondContact O-N 3.45Å; D108-Q111 HydrophobicContact CB-CG 4.3Å; D108-Q111 VanDerWaalsContact O-CB 3.26Å; D108-Q111 WeakPolarHBondContact O-CB 3.18Å; D108-Q111 VanDerWaalsContact O-CG 3.29Å; D108-Q111 WeakPolarHBondContact O-CG 3.35Å; D108-Q111 PolarHBondContact O-N 3.22Å; D108-Q111 PolarHBondContact OD1-NE2 2.92Å; D108-Q111 PolarHBondContact OD2-NE2 2.76Å |
| 109 | F | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -57.5 | -21.6 | 178.7 | -158.5 | -88.3 | 0 | 0 | 0 | 113.2 | L82 L86 C87 L95 L105 P106 A107 Q111 L112 L115 L118 P131 L132 L135 | L82-F109 HydrophobicContact CD1-CE2 4.06Å; L86-F109 HydrophobicContact CD2-CD2 4.48Å; L86-F109 HydrophobicContact CD2-CE2 4.08Å; C87-F109 VanDerWaalsContact SG-CA 3.58Å; L95-F109 HydrophobicContact CD2-CE2 3.98Å; L95-F109 HydrophobicContact CD2-CZ 3.78Å; L105-F109 HydrophobicContact CB-CB 4.29Å; L105-F109 HydrophobicContact CB-CD2 4.07Å; L105-F109 HydrophobicContact CB-CG 4.13Å; L105-F109 HydrophobicContact CD1-CD1 3.93Å; L105-F109 HydrophobicContact CD1-CD2 4.24Å; L105-F109 HydrophobicContact CD1-CE1 3.86Å; L105-F109 HydrophobicContact CD1-CE2 4.15Å; L105-F109 HydrophobicContact CD1-CG 4.1Å; L105-F109 HydrophobicContact CD1-CZ 3.95Å; L105-F109 HydrophobicContact CD2-CD2 4.33Å; L105-F109 HydrophobicContact CD2-CE2 4.01Å; L105-F109 HydrophobicContact CD2-CZ 4.39Å; L105-F109 HydrophobicContact CG-CD2 4.44Å; L105-F109 HydrophobicContact CG-CE2 4.48Å; P106-F109 VanDerWaalsContact O-CB 3.27Å; P106-F109 WeakPolarHBondContact O-CB 3.4Å; P106-F109 PolarHBondContact O-N 2.83Å; A107-F109 VanDerWaalsContact C-N 3.27Å; A107-F109 PolarHBondContact O-N 3.32Å; F109-Q111 PolarHBondContact O-N 2.61Å; F109-L112 HydrophobicContact CD1-CD1 4.27Å; F109-L112 HydrophobicContact CD2-CD1 4.14Å; F109-L112 HydrophobicContact CE1-CD1 4.02Å; F109-L112 HydrophobicContact CE2-CD1 3.91Å; F109-L112 HydrophobicContact CG-CD1 4.34Å; F109-L112 HydrophobicContact CZ-CD1 3.86Å; F109-L112 PolarHBondContact O-N 3.23Å; F109-L115 HydrophobicContact CE1-CD2 4.07Å; F109-L115 HydrophobicContact CZ-CD2 4.4Å; F109-L118 HydrophobicContact CE1-CD1 4.5Å; F109-L118 HydrophobicContact CE1-CD2 3.78Å; F109-L118 HydrophobicContact CZ-CD1 3.97Å; F109-L118 HydrophobicContact CZ-CD2 4.01Å; F109-P131 HydrophobicContact CB-CB 3.96Å; F109-L132 HydrophobicContact CD1-CD2 3.63Å; F109-L132 HydrophobicContact CE1-CD2 3.52Å; F109-L135 HydrophobicContact CD1-CD1 4.14Å; F109-L135 HydrophobicContact CE1-CD1 4.12Å |
| 110 | A | 97.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -64.1 | -10.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D108 L112 Q113 P131 R134 | D108-A110 PolarHBondContact O-N 3.45Å; A110-L112 VanDerWaalsContact C-N 3.3Å; A110-Q113 PolarHBondContact O-NE2 3.31Å; A110-P131 HydrophobicContact CB-CB 4.2Å; A110-R134 HydrophobicContact CB-CB 3.85Å; A110-R134 HydrophobicContact CB-CG 4.44Å |
| 111 | Q | 97.9 | Very high | 97.4 | Very high | 91 Ų | 91 | 40.1 Ų | 40.1 | 43% | 0.425 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -76 | -17.2 | 177 | -67.4 | -179.6 | 18.9 | 0 | 0 | 112.9 | C87 D108 F109 Q113 | C87-Q111 VanDerWaalsContact O-CB 3.23Å; C87-Q111 WeakPolarHBondContact O-CB 3.26Å; D108-Q111 HydrophobicContact CB-CG 4.3Å; D108-Q111 VanDerWaalsContact O-CB 3.26Å; D108-Q111 WeakPolarHBondContact O-CB 3.18Å; D108-Q111 VanDerWaalsContact O-CG 3.29Å; D108-Q111 WeakPolarHBondContact O-CG 3.35Å; D108-Q111 PolarHBondContact O-N 3.22Å; D108-Q111 PolarHBondContact OD1-NE2 2.92Å; D108-Q111 PolarHBondContact OD2-NE2 2.76Å; F109-Q111 PolarHBondContact O-N 2.61Å; Q111-Q113 PolarHBondContact O-N 2.97Å |
| 112 | L | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | trans | -73.5 | 58.4 | 177.1 | -65.2 | 175.8 | 0 | 0 | 0 | 112.7 | L86 L89 L92 L95 F109 A110 S114 L115 L135 | L86-L112 HydrophobicContact CD2-CD1 4.11Å; L86-L112 WeakPolarHBondContact O-CD2 3.22Å; L89-L112 HydrophobicContact CB-CD2 4.21Å; L92-L112 HydrophobicContact CB-CD2 4.27Å; L92-L112 HydrophobicContact CD2-CD1 4.39Å; L92-L112 HydrophobicContact CD2-CD2 4.1Å; L95-L112 HydrophobicContact CD2-CD1 4.41Å; F109-L112 HydrophobicContact CD1-CD1 4.27Å; F109-L112 HydrophobicContact CD2-CD1 4.14Å; F109-L112 HydrophobicContact CE1-CD1 4.02Å; F109-L112 HydrophobicContact CE2-CD1 3.91Å; F109-L112 HydrophobicContact CG-CD1 4.34Å; F109-L112 HydrophobicContact CZ-CD1 3.86Å; F109-L112 PolarHBondContact O-N 3.23Å; A110-L112 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 2.78Å; L112-S114 VanDerWaalsContact O-N 3.15Å; L112-L115 HydrophobicContact CB-CB 4.1Å; L112-L115 HydrophobicContact CD1-CD2 4.32Å; L112-L115 VanDerWaalsContact O-CB 3.24Å; L112-L115 WeakPolarHBondContact O-CB 3.24Å; L112-L115 PolarHBondContact O-N 2.99Å; L112-L135 HydrophobicContact CB-CD2 4.46Å; L112-L135 WeakPolarHBondContact O-CD2 3.16Å | ||
| 113 | Q | 96.6 | Very high | 97.4 | Very high | 88 Ų | 88 | 36.3 Ų | 36.3 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17 | -172.6 | -69.2 | -66.4 | -51.9 | 0 | 0 | 114.1 | A110 Q111 R134 A137 | A110-Q113 PolarHBondContact O-NE2 3.31Å; Q111-Q113 PolarHBondContact O-N 2.97Å; Q113-R134 PolarHBondContact NE2-O 3.41Å; Q113-A137 WeakPolarHBondContact O-CB 3.39Å |
| 114 | S | 96.7 | Very high | 97.4 | Very high | 42 Ų | 42 | 34.4 Ų | 34.4 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -7.6 | 175.5 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | P90 L92 L112 R116 | P90-S114 WeakPolarHBondContact O-CB 3.36Å; P90-S114 PolarHBondContact O-OG 2.61Å; L92-S114 CarbonylContact O-C 3.48Å; L92-S114 WeakPolarHBondContact O-CB 3.37Å; L112-S114 PolarHBondContact O-N 2.78Å; L112-S114 VanDerWaalsContact O-N 3.15Å; S114-R116 PolarHBondContact O-N 2.98Å |
| 115 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -69.9 | 122.5 | -172.4 | -163.3 | 72.5 | 0 | 0 | 0 | 111.2 | L92 L95 F109 L112 L118 L135 A137 L138 | L92-L115 HydrophobicContact CD2-CD1 4.32Å; L92-L115 HydrophobicContact CG-CD1 4.19Å; L92-L115 WeakPolarHBondContact O-CA 3.39Å; L92-L115 PolarHBondContact O-N 2.76Å; L95-L115 HydrophobicContact CB-CD1 3.81Å; F109-L115 HydrophobicContact CE1-CD2 4.07Å; F109-L115 HydrophobicContact CZ-CD2 4.4Å; L112-L115 HydrophobicContact CB-CB 4.1Å; L112-L115 HydrophobicContact CD1-CD2 4.32Å; L112-L115 VanDerWaalsContact O-CB 3.24Å; L112-L115 WeakPolarHBondContact O-CB 3.24Å; L112-L115 PolarHBondContact O-N 2.99Å; L115-L118 HydrophobicContact CD2-CB 4.03Å; L115-L118 HydrophobicContact CD2-CD1 4.33Å; L115-L118 HydrophobicContact CD2-CD2 4.43Å; L115-L135 HydrophobicContact CD2-CD1 4.03Å; L115-A137 CarbonylContact O-C 3.57Å; L115-L138 HydrophobicContact CB-CD1 4.46Å; L115-L138 HydrophobicContact CD2-CD1 4.09Å; L115-L138 HydrophobicContact CG-CD1 4.02Å; L115-L138 VanDerWaalsContact O-CA 3.32Å; L115-L138 WeakPolarHBondContact O-CA 3.18Å; L115-L138 PolarHBondContact O-N 2.93Å | ||
| 116 | R | 97.2 | Very high | 97.4 | Very high | 103 Ų | 103 | 38.8 Ų | 38.8 | 39% | 0.389 | 20% | 0.198 | S | C | . | . | trans | -107.3 | -36.1 | 179.1 | -67.8 | -171 | -112.7 | -76 | 5.1 | 112.5 | T93 S114 Q139 S140 | T93-R116 PolarHBondContact O-N 3.21Å; S114-R116 PolarHBondContact O-N 2.98Å; R116-Q139 PolarHBondContact O-N 3.21Å; R116-S140 PolarHBondContact O-N 3.03Å | ||
| 117 | C | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.9 | -178.9 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | T93 R94 L95 W119 D263 | T93-C117 PolarHBondContact O-N 2.85Å; R94-C117 WeakPolarHBondContact CA-O 3.43Å; R94-C117 HydrophobicContact CB-CB 4.41Å; R94-C117 HydrophobicContact CG-CB 4.08Å; L95-C117 PolarHBondContact N-O 3.13Å; C117-W119 VanDerWaalsContact SG-CD1 3.57Å; C117-W119 PolarHBondContact SG-NE1 2.69Å; C117-W119 VanDerWaalsContact SG-NE1 3.36Å; C117-D263 HydrophobicContact CB-CB 4.37Å |
| 118 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 122.7 | 175.9 | 177.6 | 61.4 | 0 | 0 | 0 | 110.9 | L95 L97 L105 F109 L115 I120 L132 L138 S140 L141 Q142 | L95-L118 HydrophobicContact CB-CD1 4.04Å; L95-L118 HydrophobicContact CD2-CD1 4.02Å; L95-L118 HydrophobicContact CG-CD1 3.99Å; L95-L118 WeakPolarHBondContact O-CA 3.48Å; L97-L118 HydrophobicContact CD1-CD1 4.36Å; L105-L118 HydrophobicContact CD1-CD2 4.49Å; F109-L118 HydrophobicContact CE1-CD1 4.5Å; F109-L118 HydrophobicContact CE1-CD2 3.78Å; F109-L118 HydrophobicContact CZ-CD1 3.97Å; F109-L118 HydrophobicContact CZ-CD2 4.01Å; L115-L118 HydrophobicContact CD2-CB 4.03Å; L115-L118 HydrophobicContact CD2-CD1 4.33Å; L115-L118 HydrophobicContact CD2-CD2 4.43Å; L118-I120 HydrophobicContact CD1-CG2 3.79Å; L118-I120 HydrophobicContact CD2-CD1 4.18Å; L118-I120 HydrophobicContact CD2-CG2 4.38Å; L118-I120 HydrophobicContact CG-CG1 4.41Å; L118-I120 HydrophobicContact CG-CG2 4.03Å; L118-L132 HydrophobicContact CD2-CD1 4.21Å; L118-L132 HydrophobicContact CD2-CD2 3.46Å; L118-L132 VanDerWaalsContact CD2-CD2 3.46Å; L118-L132 HydrophobicContact CD2-CG 4.5Å; L118-L138 HydrophobicContact CB-CD1 3.9Å; L118-S140 PolarHBondContact N-O 3.37Å; L118-L141 HydrophobicContact CB-CD1 4.09Å; L118-L141 HydrophobicContact CD2-CD1 3.92Å; L118-L141 HydrophobicContact CG-CD1 4.09Å; L118-L141 WeakPolarHBondContact O-CA 3.38Å; L118-Q142 PolarHBondContact O-N 2.76Å |
| 119 | W | 98 | Very high | 97.7 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 9% | 0.087 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.6 | 173.9 | -70.5 | 21.9 | 0 | 0 | 0 | 110.9 | L95 Y96 L97 C117 E121 Q142 I266 | L95-W119 PolarHBondContact O-N 3.05Å; Y96-W119 HydrophobicContact CD1-CB 3.88Å; Y96-W119 AromaticContact CD1-CD2 3.48Å; Y96-W119 HydrophobicContact CD1-CD2 3.48Å; Y96-W119 VanDerWaalsContact CD1-CD2 3.48Å; Y96-W119 AromaticContact CD1-CE3 3.68Å; Y96-W119 HydrophobicContact CD1-CE3 3.68Å; Y96-W119 AromaticContact CD1-CG 3.58Å; Y96-W119 HydrophobicContact CD1-CG 3.58Å; Y96-W119 HydrophobicContact CD1-CZ3 4.38Å; Y96-W119 AromaticContact CE1-CD2 3.82Å; Y96-W119 HydrophobicContact CE1-CD2 3.82Å; Y96-W119 AromaticContact CE1-CE2 3.85Å; Y96-W119 HydrophobicContact CE1-CE3 4.21Å; Y96-W119 HydrophobicContact CE1-CG 4.08Å; Y96-W119 HydrophobicContact CE1-CZ2 4.31Å; L97-W119 CarbonylContact C-O 3.11Å; L97-W119 WeakPolarHBondContact CA-O 3.38Å; L97-W119 VanDerWaalsContact CB-O 3.29Å; L97-W119 WeakPolarHBondContact CB-O 3.35Å; L97-W119 PolarHBondContact N-O 3.37Å; C117-W119 VanDerWaalsContact SG-CD1 3.57Å; C117-W119 PolarHBondContact SG-NE1 2.69Å; C117-W119 VanDerWaalsContact SG-NE1 3.36Å; W119-E121 VanDerWaalsContact CB-OE2 3.28Å; W119-E121 WeakPolarHBondContact CB-OE2 3.47Å; W119-Q142 HydrophobicContact CB-CB 4.22Å; W119-Q142 HydrophobicContact CD2-CB 4.48Å; W119-Q142 HydrophobicContact CD2-CG 4.02Å; W119-Q142 HydrophobicContact CG-CB 3.9Å; W119-Q142 HydrophobicContact CG-CG 3.76Å; W119-I266 VanDerWaalsContact CH2-C 3.43Å; W119-I266 HydrophobicContact CH2-CB 3.94Å; W119-I266 HydrophobicContact CH2-CG2 3.14Å; W119-I266 WeakPolarHBondContact CH2-O 3.2Å; W119-I266 HydrophobicContact CZ2-CB 3.46Å; W119-I266 VanDerWaalsContact CZ2-CB 3.46Å; W119-I266 HydrophobicContact CZ2-CG2 3.15Å; W119-I266 WeakPolarHBondContact CZ2-O 3.45Å; W119-I266 HydrophobicContact CZ3-CG2 4.19Å |
| 120 | I | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -140.1 | 22.8 | -177.7 | 50 | 173.1 | 0 | 0 | 0 | 110.4 | L97 L105 L118 N123 L125 L132 L141 Q142 M143 N146 | L97-I120 HydrophobicContact CB-CG2 3.91Å; L97-I120 HydrophobicContact CD1-CG2 3.83Å; L105-I120 HydrophobicContact CD1-CD1 4.49Å; L118-I120 HydrophobicContact CD1-CG2 3.79Å; L118-I120 HydrophobicContact CD2-CD1 4.18Å; L118-I120 HydrophobicContact CD2-CG2 4.38Å; L118-I120 HydrophobicContact CG-CG1 4.41Å; L118-I120 HydrophobicContact CG-CG2 4.03Å; I120-N123 PolarHBondContact O-ND2 3.37Å; I120-L125 HydrophobicContact CD1-CD1 3.79Å; I120-L125 HydrophobicContact CG1-CD1 4.44Å; I120-L132 HydrophobicContact CD1-CD1 4.27Å; I120-L141 HydrophobicContact CD1-CD1 4.24Å; I120-L141 HydrophobicContact CG1-CD1 4.39Å; I120-Q142 WeakPolarHBondContact CG1-O 3.38Å; I120-Q142 PolarHBondContact N-O 3.3Å; I120-M143 HydrophobicContact CD1-CE 3.92Å; I120-M143 HydrophobicContact CD1-CG 3.62Å; I120-M143 HydrophobicContact CD1-SD 4.11Å; I120-M143 HydrophobicContact CG1-CG 3.69Å; I120-N146 PolarHBondContact O-ND2 3.07Å | ||
| 121 | E | 97.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | trans | -63.4 | 159.1 | 174.8 | 71.6 | -73.7 | 170.2 | 0 | 0 | 112.5 | G98 G99 W119 N123 Q142 G144 | G98-E121 CarbonylContact C-O 3.25Å; G98-E121 VanDerWaalsContact CA-O 3.25Å; G98-E121 WeakPolarHBondContact CA-O 3.43Å; G98-E121 WeakPolarHBondContact CA-OE1 3.35Å; G99-E121 PolarHBondContact N-O 3.28Å; W119-E121 VanDerWaalsContact CB-OE2 3.28Å; W119-E121 WeakPolarHBondContact CB-OE2 3.47Å; E121-N123 VanDerWaalsContact C-N 3.26Å; E121-N123 PolarHBondContact O-N 3.44Å; E121-N123 PolarHBondContact O-ND2 3.24Å; E121-Q142 PolarHBondContact N-O 3.33Å; E121-Q142 WeakPolarHBondContact OE2-CB 3.21Å; E121-G144 CarbonylContact C-O 3.52Å; E121-G144 WeakPolarHBondContact CA-O 3.47Å; E121-G144 WeakPolarHBondContact CB-O 3.42Å | ||
| 122 | G | 97.1 | Very high | 97.7 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 62.3 | 33.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G99 G144 D145 | G99-G122 WeakPolarHBondContact CA-O 3.4Å; G122-G144 PolarHBondContact N-O 2.98Å; G122-D145 WeakPolarHBondContact CA-O 3.46Å; G122-D145 PolarHBondContact N-O 3.02Å |
| 123 | N | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -112 | -167.4 | 175.1 | -81.3 | -82.5 | 0 | 0 | 0 | 110.4 | L97 N100 R101 L102 I120 E121 L125 N146 | L97-N123 PolarHBondContact O-ND2 3.38Å; N100-N123 WeakPolarHBondContact CA-OD1 3.13Å; N100-N123 WeakPolarHBondContact CB-OD1 3.36Å; N100-N123 PolarHBondContact O-OD1 2.88Å; R101-N123 PolarHBondContact N-OD1 3.01Å; L102-N123 HydrophobicContact CB-CB 4.29Å; L102-N123 VanDerWaalsContact CB-OD1 3.27Å; L102-N123 WeakPolarHBondContact CB-OD1 3.29Å; L102-N123 WeakPolarHBondContact CG-OD1 3.3Å; L102-N123 PolarHBondContact N-OD1 2.99Å; I120-N123 PolarHBondContact O-ND2 3.37Å; E121-N123 VanDerWaalsContact C-N 3.26Å; E121-N123 PolarHBondContact O-N 3.44Å; E121-N123 PolarHBondContact O-ND2 3.24Å; N123-L125 HydrophobicContact CB-CG 4.47Å; N123-N146 WeakPolarHBondContact CA-OD1 3.24Å; N123-N146 WeakPolarHBondContact CB-OD1 3.16Å; N123-N146 PolarHBondContact O-OD1 3.3Å |
| 124 | F | 97.9 | Very high | 97.7 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 32% | 0.316 | 22% | 0.22 | S | C | . | . | trans | -114.6 | 26 | -176.6 | -59.4 | -56.9 | 0 | 0 | 0 | 113.8 | R101 L102 L103 R126 N146 R147 | R101-F124 HydrophobicContact CB-CD2 4.11Å; R101-F124 HydrophobicContact CB-CE2 3.89Å; R101-F124 HydrophobicContact CG-CE2 3.97Å; L102-F124 CarbonylContact O-C 3.58Å; L102-F124 WeakPolarHBondContact O-CA 3.35Å; L102-F124 PolarHBondContact O-N 3.36Å; L103-F124 HydrophobicContact CD2-CB 3.72Å; F124-R126 PolarHBondContact O-N 3.06Å; F124-N146 PolarHBondContact N-OD1 2.86Å; F124-R147 VanDerWaalsContact CD1-CZ 3.5Å | ||
| 125 | L | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -64 | 118.6 | -178.2 | -57.7 | 175.5 | 0 | 0 | 0 | 110.5 | L103 I120 N123 P129 M143 N146 R147 L148 | L103-L125 WeakPolarHBondContact O-CD2 3.37Å; I120-L125 HydrophobicContact CD1-CD1 3.79Å; I120-L125 HydrophobicContact CG1-CD1 4.44Å; N123-L125 HydrophobicContact CB-CG 4.47Å; L125-P129 HydrophobicContact CD1-CG 4.12Å; L125-P129 HydrophobicContact CD2-CG 4.49Å; L125-M143 HydrophobicContact CD1-CE 3.96Å; L125-N146 HydrophobicContact CB-CB 4.32Å; L125-N146 VanDerWaalsContact CB-OD1 3.25Å; L125-N146 WeakPolarHBondContact CB-OD1 3.29Å; L125-N146 WeakPolarHBondContact CG-OD1 3.33Å; L125-N146 PolarHBondContact N-OD1 2.94Å; L125-R147 CarbonylContact O-C 3.49Å; L125-R147 VanDerWaalsContact O-C 3.27Å; L125-R147 VanDerWaalsContact O-CA 3.3Å; L125-R147 WeakPolarHBondContact O-CA 3.35Å; L125-R147 WeakPolarHBondContact O-CB 3.28Å; L125-R147 PolarHBondContact O-N 3.06Å; L125-L148 HydrophobicContact CB-CD2 4.27Å; L125-L148 PolarHBondContact O-N 3.03Å | ||
| 126 | R | 97.9 | Very high | 97.4 | Very high | 169 Ų | 169 | 53.6 Ų | 53.6 | 64% | 0.638 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -91.4 | -19.8 | 176.4 | -63.1 | -176.1 | -177.1 | -173.5 | -0.4 | 113 | F124 R147 | F124-R126 PolarHBondContact O-N 3.06Å; R126-R147 HydrophobicContact CG-CB 4.25Å |
| 127 | R | 98 | Very high | 97.3 | Very high | 213 Ų | 213 | 50.1 Ų | 50.1 | 80% | 0.804 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -138.2 | 151.6 | -178.9 | -57.5 | -178.3 | 103.8 | 151.2 | 4.2 | 108.7 | ||
| 128 | F | 98.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | trans | -61.6 | 129.1 | 173.4 | -173.1 | -88.3 | 0 | 0 | 0 | 110.4 | R130 L132 L133 L141 M143 L151 P152 L155 M158 | F128-R130 PolarHBondContact O-N 3.15Å; F128-R130 VanDerWaalsContact O-N 3.11Å; F128-L132 HydrophobicContact CE1-CB 3.9Å; F128-L132 HydrophobicContact CE1-CD1 4.45Å; F128-L132 HydrophobicContact CZ-CB 3.92Å; F128-L132 HydrophobicContact CZ-CD1 4.11Å; F128-L133 HydrophobicContact CD1-CD2 4.43Å; F128-L133 HydrophobicContact CD1-CG 4.5Å; F128-L133 HydrophobicContact CE1-CD2 3.75Å; F128-L133 HydrophobicContact CE1-CG 3.93Å; F128-L133 HydrophobicContact CZ-CD2 4.41Å; F128-L141 HydrophobicContact CE2-CD2 4.08Å; F128-L141 HydrophobicContact CZ-CD2 4.28Å; F128-M143 HydrophobicContact CD2-CE 4.02Å; F128-M143 HydrophobicContact CD2-SD 3.86Å; F128-M143 HydrophobicContact CE2-CE 4.38Å; F128-M143 HydrophobicContact CE2-SD 3.68Å; F128-L151 HydrophobicContact CD2-CD2 3.79Å; F128-L151 HydrophobicContact CE2-CD2 4.49Å; F128-L151 HydrophobicContact CG-CD2 4.5Å; F128-P152 HydrophobicContact CB-CG 4.25Å; F128-P152 HydrophobicContact CD1-CG 3.65Å; F128-P152 HydrophobicContact CE1-CG 4.22Å; F128-P152 HydrophobicContact CG-CG 4Å; F128-L155 HydrophobicContact CD2-CD1 4.43Å; F128-L155 HydrophobicContact CE1-CD1 4.22Å; F128-L155 HydrophobicContact CE2-CD1 3.73Å; F128-L155 HydrophobicContact CZ-CD1 3.61Å; F128-M158 HydrophobicContact CZ-SD 3.88Å | ||
| 129 | P | 97.6 | Very high | 97.1 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | trans | -67.4 | 107.9 | 176.9 | -17.9 | 30.5 | 0 | 0 | 0 | 111.5 | L105 L125 P131 L132 M143 | L105-P129 HydrophobicContact CB-CB 4.24Å; L105-P129 HydrophobicContact CD1-CB 3.82Å; L105-P129 HydrophobicContact CD1-CG 3.92Å; L105-P129 HydrophobicContact CG-CB 4.08Å; L105-P129 HydrophobicContact CG-CG 4.09Å; L125-P129 HydrophobicContact CD1-CG 4.12Å; L125-P129 HydrophobicContact CD2-CG 4.49Å; P129-P131 VanDerWaalsContact C-N 3.33Å; P129-L132 HydrophobicContact CB-CD1 4.04Å; P129-L132 HydrophobicContact CB-CG 4.1Å; P129-L132 HydrophobicContact CG-CD1 4.02Å; P129-L132 WeakPolarHBondContact O-CB 3.1Å; P129-L132 PolarHBondContact O-N 2.78Å; P129-L132 VanDerWaalsContact O-N 3.1Å; P129-M143 HydrophobicContact CG-CE 4.39Å | ||
| 130 | R | 97.4 | Very high | 97.1 | Very high | 174 Ų | 174 | 50.5 Ų | 50.5 | 66% | 0.657 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -55.4 | -33.7 | -178.1 | -79.5 | -171 | 159.3 | 173.9 | -6.7 | 115.5 | F128 L132 L133 | F128-R130 PolarHBondContact O-N 3.15Å; F128-R130 VanDerWaalsContact O-N 3.11Å; R130-L132 PolarHBondContact O-N 3.2Å; R130-L132 VanDerWaalsContact O-N 3.17Å; R130-L133 HydrophobicContact CB-CD1 4.48Å; R130-L133 HydrophobicContact CG-CD1 4.32Å; R130-L133 VanDerWaalsContact O-CB 3.32Å; R130-L133 WeakPolarHBondContact O-CB 3.3Å; R130-L133 WeakPolarHBondContact O-CG 3.27Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-L133 VanDerWaalsContact O-N 3.09Å |
| 131 | P | 97.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 50.5 Ų | 50.5 | 17% | 0.169 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.3 | -29.7 | 175.3 | -30 | 37.9 | 0 | 0 | 0 | 114.4 | F109 A110 P129 L133 R134 | F109-P131 HydrophobicContact CB-CB 3.96Å; A110-P131 HydrophobicContact CB-CB 4.2Å; P129-P131 VanDerWaalsContact C-N 3.33Å; P131-L133 PolarHBondContact O-N 3.2Å; P131-R134 PolarHBondContact O-N 3.39Å; P131-R134 VanDerWaalsContact O-N 3.15Å |
| 132 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -62.5 | -25.6 | 178.6 | -61.1 | 178.6 | 0 | 0 | 0 | 113.2 | L105 F109 L118 I120 F128 P129 R130 R134 L135 L141 M143 M158 | L105-L132 HydrophobicContact CD1-CD1 4.19Å; L105-L132 HydrophobicContact CD1-CD2 3.87Å; L105-L132 HydrophobicContact CD1-CG 4.11Å; F109-L132 HydrophobicContact CD1-CD2 3.63Å; F109-L132 HydrophobicContact CE1-CD2 3.52Å; L118-L132 HydrophobicContact CD2-CD1 4.21Å; L118-L132 HydrophobicContact CD2-CD2 3.46Å; L118-L132 VanDerWaalsContact CD2-CD2 3.46Å; L118-L132 HydrophobicContact CD2-CG 4.5Å; I120-L132 HydrophobicContact CD1-CD1 4.27Å; F128-L132 HydrophobicContact CE1-CB 3.9Å; F128-L132 HydrophobicContact CE1-CD1 4.45Å; F128-L132 HydrophobicContact CZ-CB 3.92Å; F128-L132 HydrophobicContact CZ-CD1 4.11Å; P129-L132 HydrophobicContact CB-CD1 4.04Å; P129-L132 HydrophobicContact CB-CG 4.1Å; P129-L132 HydrophobicContact CG-CD1 4.02Å; P129-L132 WeakPolarHBondContact O-CB 3.1Å; P129-L132 PolarHBondContact O-N 2.78Å; P129-L132 VanDerWaalsContact O-N 3.1Å; R130-L132 PolarHBondContact O-N 3.2Å; R130-L132 VanDerWaalsContact O-N 3.17Å; L132-R134 PolarHBondContact O-N 3.19Å; L132-L135 HydrophobicContact CD2-CD1 3.69Å; L132-L135 PolarHBondContact O-N 2.94Å; L132-L141 HydrophobicContact CD1-CD1 4.33Å; L132-L141 HydrophobicContact CD1-CD2 4.32Å; L132-M143 HydrophobicContact CD1-SD 4.48Å; L132-M158 HydrophobicContact CB-CE 4.46Å |
| 133 | L | 97.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 48.3 Ų | 48.3 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -63.1 | -15.1 | 178.4 | -61.5 | 171.8 | 0 | 0 | 0 | 113.2 | F128 R130 P131 P152 E154 L155 M158 | F128-L133 HydrophobicContact CD1-CD2 4.43Å; F128-L133 HydrophobicContact CD1-CG 4.5Å; F128-L133 HydrophobicContact CE1-CD2 3.75Å; F128-L133 HydrophobicContact CE1-CG 3.93Å; F128-L133 HydrophobicContact CZ-CD2 4.41Å; R130-L133 HydrophobicContact CB-CD1 4.48Å; R130-L133 HydrophobicContact CG-CD1 4.32Å; R130-L133 VanDerWaalsContact O-CB 3.32Å; R130-L133 WeakPolarHBondContact O-CB 3.3Å; R130-L133 WeakPolarHBondContact O-CG 3.27Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-L133 VanDerWaalsContact O-N 3.09Å; P131-L133 PolarHBondContact O-N 3.2Å; L133-P152 HydrophobicContact CD1-CB 4.35Å; L133-P152 HydrophobicContact CD1-CG 4.15Å; L133-P152 HydrophobicContact CD2-CG 3.89Å; L133-P152 HydrophobicContact CG-CG 4.47Å; L133-E154 HydrophobicContact CD1-CB 4Å; L133-L155 HydrophobicContact CD2-CD1 4.24Å; L133-M158 HydrophobicContact CD2-CG 4.39Å; L133-M158 HydrophobicContact CD2-SD 4.15Å |
| 134 | R | 97.1 | Very high | 97 | Very high | 162 Ų | 162 | 48.1 Ų | 48.1 | 61% | 0.611 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -99.8 | -0.9 | 178.9 | -65.4 | 178 | 61.5 | -152.6 | -3.8 | 113.4 | A110 Q113 P131 L132 V136 | A110-R134 HydrophobicContact CB-CB 3.85Å; A110-R134 HydrophobicContact CB-CG 4.44Å; Q113-R134 PolarHBondContact NE2-O 3.41Å; P131-R134 PolarHBondContact O-N 3.39Å; P131-R134 VanDerWaalsContact O-N 3.15Å; L132-R134 PolarHBondContact O-N 3.19Å; R134-V136 PolarHBondContact O-N 2.82Å |
| 135 | L | 96.4 | Very high | 97 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | trans | -88.7 | 84 | 179 | -59.7 | -174.1 | 0 | 0 | 0 | 110 | F109 L112 L115 L132 A137 L138 | F109-L135 HydrophobicContact CD1-CD1 4.14Å; F109-L135 HydrophobicContact CE1-CD1 4.12Å; L112-L135 HydrophobicContact CB-CD2 4.46Å; L112-L135 WeakPolarHBondContact O-CD2 3.16Å; L115-L135 HydrophobicContact CD2-CD1 4.03Å; L132-L135 HydrophobicContact CD2-CD1 3.69Å; L132-L135 PolarHBondContact O-N 2.94Å; L135-A137 VanDerWaalsContact C-N 3.28Å; L135-A137 PolarHBondContact O-N 3.43Å; L135-L138 HydrophobicContact CB-CB 3.99Å; L135-L138 WeakPolarHBondContact O-CB 3.43Å; L135-L138 PolarHBondContact O-N 3.22Å | ||
| 136 | V | 91.3 | Very high | 97 | Very high | 81 Ų | 81 | 49 Ų | 49 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -24.1 | -174.9 | -63.6 | 0 | 0 | 0 | 0 | 113.7 | R134 G160 | R134-V136 PolarHBondContact O-N 2.82Å; V136-G160 WeakPolarHBondContact O-CA 3.17Å |
| 137 | A | 94.1 | Very high | 97 | Very high | 31 Ų | 31 | 44.5 Ų | 44.5 | 26% | 0.256 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -8.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q113 L115 L135 Q139 | Q113-A137 WeakPolarHBondContact O-CB 3.39Å; L115-A137 CarbonylContact O-C 3.57Å; L135-A137 VanDerWaalsContact C-N 3.28Å; L135-A137 PolarHBondContact O-N 3.43Å; A137-Q139 PolarHBondContact O-N 2.94Å |
| 138 | L | 96.9 | Very high | 97 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -69 | 120.9 | -177.2 | -163.9 | 75.5 | 0 | 0 | 0 | 110.1 | L115 L118 L135 L141 M158 G160 L161 | L115-L138 HydrophobicContact CB-CD1 4.46Å; L115-L138 HydrophobicContact CD2-CD1 4.09Å; L115-L138 HydrophobicContact CG-CD1 4.02Å; L115-L138 VanDerWaalsContact O-CA 3.32Å; L115-L138 WeakPolarHBondContact O-CA 3.18Å; L115-L138 PolarHBondContact O-N 2.93Å; L118-L138 HydrophobicContact CB-CD1 3.9Å; L135-L138 HydrophobicContact CB-CB 3.99Å; L135-L138 WeakPolarHBondContact O-CB 3.43Å; L135-L138 PolarHBondContact O-N 3.22Å; L138-L141 HydrophobicContact CD2-CB 4.08Å; L138-L141 HydrophobicContact CD2-CD1 4.3Å; L138-L141 HydrophobicContact CD2-CD2 4.23Å; L138-L141 HydrophobicContact CD2-CG 4.44Å; L138-M158 HydrophobicContact CD2-CE 3.66Å; L138-G160 CarbonylContact O-C 3.29Å; L138-L161 HydrophobicContact CD2-CD1 4.3Å; L138-L161 HydrophobicContact CG-CD1 4.33Å; L138-L161 VanDerWaalsContact O-CA 3.27Å; L138-L161 WeakPolarHBondContact O-CA 3.32Å; L138-L161 PolarHBondContact O-N 2.8Å | ||
| 139 | Q | 96.5 | Very high | 97 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | trans | -105 | -33.7 | -177.6 | -71.2 | 168.4 | -36 | 0 | 0 | 111.7 | R116 A137 R162 G163 | R116-Q139 PolarHBondContact O-N 3.21Å; A137-Q139 PolarHBondContact O-N 2.94Å; Q139-R162 PolarHBondContact O-N 2.81Å; Q139-G163 PolarHBondContact O-N 3.32Å | ||
| 140 | S | 96.5 | Very high | 97 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.2 | -173.8 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | R116 L118 W165 D263 | R116-S140 PolarHBondContact O-N 3.03Å; L118-S140 PolarHBondContact N-O 3.37Å; S140-W165 VanDerWaalsContact OG-CZ3 3.26Å; S140-W165 WeakPolarHBondContact OG-CZ3 3.42Å; S140-D263 WeakPolarHBondContact CB-O 3.39Å; S140-D263 PolarHBondContact OG-O 3Å |
| 141 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 108.1 | -179 | 179.1 | 55.1 | 0 | 0 | 0 | 111.2 | L118 I120 F128 L132 L138 M143 M158 L161 G163 L164 W165 | L118-L141 HydrophobicContact CB-CD1 4.09Å; L118-L141 HydrophobicContact CD2-CD1 3.92Å; L118-L141 HydrophobicContact CG-CD1 4.09Å; L118-L141 WeakPolarHBondContact O-CA 3.38Å; I120-L141 HydrophobicContact CD1-CD1 4.24Å; I120-L141 HydrophobicContact CG1-CD1 4.39Å; F128-L141 HydrophobicContact CE2-CD2 4.08Å; F128-L141 HydrophobicContact CZ-CD2 4.28Å; L132-L141 HydrophobicContact CD1-CD1 4.33Å; L132-L141 HydrophobicContact CD1-CD2 4.32Å; L138-L141 HydrophobicContact CD2-CB 4.08Å; L138-L141 HydrophobicContact CD2-CD1 4.3Å; L138-L141 HydrophobicContact CD2-CD2 4.23Å; L138-L141 HydrophobicContact CD2-CG 4.44Å; L141-M143 HydrophobicContact CD1-CG 3.69Å; L141-M143 HydrophobicContact CD1-SD 4.04Å; L141-M143 HydrophobicContact CD2-CG 4.29Å; L141-M143 HydrophobicContact CD2-SD 3.73Å; L141-M143 HydrophobicContact CG-CG 3.78Å; L141-M143 HydrophobicContact CG-SD 3.91Å; L141-M158 HydrophobicContact CD2-CE 4.11Å; L141-L161 HydrophobicContact CB-CD1 3.76Å; L141-G163 PolarHBondContact N-O 3.15Å; L141-L164 HydrophobicContact CB-CD1 4.18Å; L141-L164 HydrophobicContact CD2-CD1 4.11Å; L141-L164 HydrophobicContact CG-CD1 4.12Å; L141-W165 PolarHBondContact O-N 2.85Å |
| 142 | Q | 97.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.7 | 172.5 | -61.6 | -79.9 | -12.1 | 0 | 0 | 109.9 | L118 W119 I120 E121 W165 | L118-Q142 PolarHBondContact O-N 2.76Å; W119-Q142 HydrophobicContact CB-CB 4.22Å; W119-Q142 HydrophobicContact CD2-CB 4.48Å; W119-Q142 HydrophobicContact CD2-CG 4.02Å; W119-Q142 HydrophobicContact CG-CB 3.9Å; W119-Q142 HydrophobicContact CG-CG 3.76Å; I120-Q142 WeakPolarHBondContact CG1-O 3.38Å; I120-Q142 PolarHBondContact N-O 3.3Å; E121-Q142 PolarHBondContact N-O 3.33Å; E121-Q142 WeakPolarHBondContact OE2-CB 3.21Å; Q142-W165 VanDerWaalsContact CD-CG 3.45Å; Q142-W165 HydrophobicContact CG-CD2 4.43Å; Q142-W165 HydrophobicContact CG-CE3 4.09Å; Q142-W165 VanDerWaalsContact NE2-CG 3.32Å |
| 143 | M | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -131.2 | 23.8 | -179.9 | -73.2 | -171.6 | 78.1 | 0 | 0 | 111.6 | I120 L125 F128 P129 L132 L141 N146 L148 W165 L166 N169 | I120-M143 HydrophobicContact CD1-CE 3.92Å; I120-M143 HydrophobicContact CD1-CG 3.62Å; I120-M143 HydrophobicContact CD1-SD 4.11Å; I120-M143 HydrophobicContact CG1-CG 3.69Å; L125-M143 HydrophobicContact CD1-CE 3.96Å; F128-M143 HydrophobicContact CD2-CE 4.02Å; F128-M143 HydrophobicContact CD2-SD 3.86Å; F128-M143 HydrophobicContact CE2-CE 4.38Å; F128-M143 HydrophobicContact CE2-SD 3.68Å; P129-M143 HydrophobicContact CG-CE 4.39Å; L132-M143 HydrophobicContact CD1-SD 4.48Å; L141-M143 HydrophobicContact CD1-CG 3.69Å; L141-M143 HydrophobicContact CD1-SD 4.04Å; L141-M143 HydrophobicContact CD2-CG 4.29Å; L141-M143 HydrophobicContact CD2-SD 3.73Å; L141-M143 HydrophobicContact CG-CG 3.78Å; L141-M143 HydrophobicContact CG-SD 3.91Å; M143-N146 PolarHBondContact O-ND2 3.48Å; M143-L148 HydrophobicContact CB-CD1 4.44Å; M143-L148 HydrophobicContact CE-CD1 3.66Å; M143-L148 HydrophobicContact CE-CD2 4.43Å; M143-L148 HydrophobicContact SD-CD1 4.5Å; M143-W165 CarbonylContact C-O 3.32Å; M143-W165 WeakPolarHBondContact CA-O 3.43Å; M143-W165 PolarHBondContact N-O 3.28Å; M143-L166 HydrophobicContact CB-CD2 3.99Å; M143-N169 PolarHBondContact O-ND2 3.31Å | ||
| 144 | G | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -63 | 165.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E121 G122 N146 W165 Y167 | E121-G144 CarbonylContact C-O 3.52Å; E121-G144 WeakPolarHBondContact CA-O 3.47Å; E121-G144 WeakPolarHBondContact CB-O 3.42Å; G122-G144 PolarHBondContact N-O 2.98Å; G144-N146 PolarHBondContact O-N 2.93Å; G144-N146 VanDerWaalsContact O-N 3.07Å; G144-N146 PolarHBondContact O-ND2 3.04Å; G144-W165 PolarHBondContact N-O 3.48Å; G144-Y167 CarbonylContact C-O 3.58Å; G144-Y167 WeakPolarHBondContact CA-O 3.39Å | ||
| 145 | D | 97.9 | Very high | 97 | Very high | 84 Ų | 84 | 33.4 Ų | 33.4 | 45% | 0.449 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 47.2 | 44 | 174.4 | -67.8 | -34.2 | 0 | 0 | 0 | 114.1 | G122 Y167 G168 | G122-D145 WeakPolarHBondContact CA-O 3.46Å; G122-D145 PolarHBondContact N-O 3.02Å; D145-Y167 PolarHBondContact N-O 3.2Å; D145-Y167 WeakPolarHBondContact OD2-CE2 3.12Å; D145-G168 WeakPolarHBondContact CA-O 3.14Å |
| 146 | N | 98.4 | Very high | 97 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -111.9 | -157.2 | 174.9 | -88.2 | -82.6 | 0 | 0 | 0 | 109.8 | I120 N123 F124 L125 M143 G144 L148 N169 | I120-N146 PolarHBondContact O-ND2 3.07Å; N123-N146 WeakPolarHBondContact CA-OD1 3.24Å; N123-N146 WeakPolarHBondContact CB-OD1 3.16Å; N123-N146 PolarHBondContact O-OD1 3.3Å; F124-N146 PolarHBondContact N-OD1 2.86Å; L125-N146 HydrophobicContact CB-CB 4.32Å; L125-N146 VanDerWaalsContact CB-OD1 3.25Å; L125-N146 WeakPolarHBondContact CB-OD1 3.29Å; L125-N146 WeakPolarHBondContact CG-OD1 3.33Å; L125-N146 PolarHBondContact N-OD1 2.94Å; M143-N146 PolarHBondContact O-ND2 3.48Å; G144-N146 PolarHBondContact O-N 2.93Å; G144-N146 VanDerWaalsContact O-N 3.07Å; G144-N146 PolarHBondContact O-ND2 3.04Å; N146-L148 HydrophobicContact CB-CG 4.35Å; N146-N169 WeakPolarHBondContact CA-OD1 3.39Å; N146-N169 VanDerWaalsContact CB-OD1 3.26Å; N146-N169 WeakPolarHBondContact CB-OD1 3.37Å |
| 147 | R | 97.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 29% | 0.287 | 20% | 0.201 | S | C | . | . | trans | -126.2 | 27.7 | -178.8 | -57.1 | -179.5 | 176.6 | 163.6 | -3.1 | 111.7 | F124 L125 R126 N169 | F124-R147 VanDerWaalsContact CD1-CZ 3.5Å; L125-R147 CarbonylContact O-C 3.49Å; L125-R147 VanDerWaalsContact O-C 3.27Å; L125-R147 VanDerWaalsContact O-CA 3.3Å; L125-R147 WeakPolarHBondContact O-CA 3.35Å; L125-R147 WeakPolarHBondContact O-CB 3.28Å; L125-R147 PolarHBondContact O-N 3.06Å; R126-R147 HydrophobicContact CG-CB 4.25Å; R147-N169 PolarHBondContact N-OD1 2.89Å | ||
| 148 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -68.5 | 139.6 | -179.6 | -56 | 177 | 0 | 0 | 0 | 110.4 | L125 M143 N146 L166 N169 R170 F171 | L125-L148 HydrophobicContact CB-CD2 4.27Å; L125-L148 PolarHBondContact O-N 3.03Å; M143-L148 HydrophobicContact CB-CD1 4.44Å; M143-L148 HydrophobicContact CE-CD1 3.66Å; M143-L148 HydrophobicContact CE-CD2 4.43Å; M143-L148 HydrophobicContact SD-CD1 4.5Å; N146-L148 HydrophobicContact CB-CG 4.35Å; L148-L166 HydrophobicContact CD1-CD2 3.97Å; L148-N169 HydrophobicContact CB-CB 4.3Å; L148-N169 VanDerWaalsContact CB-OD1 3.27Å; L148-N169 WeakPolarHBondContact CB-OD1 3Å; L148-N169 WeakPolarHBondContact CG-OD1 2.99Å; L148-N169 PolarHBondContact N-OD1 3.26Å; L148-R170 CarbonylContact O-C 3.42Å; L148-R170 WeakPolarHBondContact O-CA 3.5Å; L148-R170 WeakPolarHBondContact O-CB 3.36Å; L148-R170 PolarHBondContact O-N 2.92Å; L148-F171 HydrophobicContact CB-CE1 4.35Å; L148-F171 HydrophobicContact CB-CE2 4.17Å; L148-F171 HydrophobicContact CB-CZ 3.71Å; L148-F171 HydrophobicContact CD1-CZ 4.28Å | ||
| 149 | R | 97.9 | Very high | 97.1 | Very high | 147 Ų | 147 | 40.9 Ų | 40.9 | 56% | 0.555 | 21% | 0.211 | S | C | * | . | trans | -117 | -20.4 | 173.8 | -65.3 | -179.5 | -179 | -122.9 | 9.3 | 113.1 | R170 F171 E172 | R149-R170 HydrophobicContact CG-CB 4.02Å; R149-F171 WeakPolarHBondContact O-CD1 3.17Å; R149-E172 IonicContact NH1-OE1 3.6Å | ||
| 150 | A | 97.9 | Very high | 97 | Very high | 65 Ų | 65 | 40 Ų | 40 | 54% | 0.537 | 21% | 0.21 | S | C | . | . | trans | -152.2 | 154.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 151 | L | 98.3 | Very high | 96.9 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | trans | -107.7 | 149.5 | 170.5 | -62.1 | 175.1 | 0 | 0 | 0 | 109.6 | F128 L155 L166 F171 P175 L178 | F128-L151 HydrophobicContact CD2-CD2 3.79Å; F128-L151 HydrophobicContact CE2-CD2 4.49Å; F128-L151 HydrophobicContact CG-CD2 4.5Å; L151-L155 HydrophobicContact CB-CD2 4.15Å; L151-L155 HydrophobicContact CD1-CD2 3.61Å; L151-L155 HydrophobicContact CG-CD2 4.35Å; L151-L166 HydrophobicContact CD1-CD1 3.67Å; L151-L166 HydrophobicContact CD2-CD1 4.43Å; L151-L166 HydrophobicContact CD2-CD2 4.28Å; L151-F171 HydrophobicContact CD2-CE1 4.3Å; L151-F171 HydrophobicContact CD2-CZ 3.96Å; L151-F171 HydrophobicContact CG-CE1 3.92Å; L151-F171 HydrophobicContact CG-CZ 3.99Å; L151-P175 HydrophobicContact CB-CB 4.1Å; L151-P175 HydrophobicContact CD1-CB 3.81Å; L151-P175 HydrophobicContact CD1-CG 3.86Å; L151-P175 HydrophobicContact CG-CB 4.11Å; L151-P175 HydrophobicContact CG-CG 4.12Å; L151-L178 HydrophobicContact CD1-CD1 4.11Å; L151-L178 HydrophobicContact CD1-CD2 3.94Å; L151-L178 HydrophobicContact CD1-CG 4Å | ||
| 152 | P | 97.6 | Very high | 96.8 | Very high | 20 Ų | 20 | 43 Ų | 43 | 13% | 0.13 | 22% | 0.222 | C | C | . | . | trans | -67.5 | 148.7 | 178 | 28.9 | -35.2 | 0 | 0 | 0 | 111.3 | F128 L133 E154 L155 | F128-P152 HydrophobicContact CB-CG 4.25Å; F128-P152 HydrophobicContact CD1-CG 3.65Å; F128-P152 HydrophobicContact CE1-CG 4.22Å; F128-P152 HydrophobicContact CG-CG 4Å; L133-P152 HydrophobicContact CD1-CB 4.35Å; L133-P152 HydrophobicContact CD1-CG 4.15Å; L133-P152 HydrophobicContact CD2-CG 3.89Å; L133-P152 HydrophobicContact CG-CG 4.47Å; P152-E154 WeakPolarHBondContact CB-OE2 3.05Å; P152-E154 PolarHBondContact O-N 3.04Å; P152-E154 VanDerWaalsContact O-N 3.17Å; P152-L155 HydrophobicContact CG-CB 4.48Å; P152-L155 WeakPolarHBondContact O-CB 3.23Å; P152-L155 PolarHBondContact O-N 2.77Å; P152-L155 VanDerWaalsContact O-N 3.15Å | ||
| 153 | A | 97.4 | Very high | 96.7 | Very high | 73 Ų | 73 | 42.9 Ų | 42.9 | 60% | 0.603 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L155 P156 | A153-L155 VanDerWaalsContact C-N 3.33Å; A153-P156 VanDerWaalsContact O-CD 3.23Å; A153-P156 WeakPolarHBondContact O-CD 3.29Å |
| 154 | E | 97.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 42.9 Ų | 42.9 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -3 | 179.4 | -56.4 | 92 | 152.9 | 0 | 0 | 113.9 | L133 P152 P156 R157 | L133-E154 HydrophobicContact CD1-CB 4Å; P152-E154 WeakPolarHBondContact CB-OE2 3.05Å; P152-E154 PolarHBondContact O-N 3.04Å; P152-E154 VanDerWaalsContact O-N 3.17Å; E154-P156 VanDerWaalsContact O-N 3.13Å; E154-R157 VanDerWaalsContact O-CB 3.24Å; E154-R157 WeakPolarHBondContact O-CB 3.23Å; E154-R157 VanDerWaalsContact O-CG 3.29Å; E154-R157 WeakPolarHBondContact O-CG 3.43Å; E154-R157 PolarHBondContact O-N 3.32Å |
| 155 | L | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -48.8 | -36.5 | 177.7 | -164.6 | 73.2 | 0 | 0 | 0 | 114.3 | F128 L133 L151 P152 A153 R157 M158 L164 A177 L178 M181 | F128-L155 HydrophobicContact CD2-CD1 4.43Å; F128-L155 HydrophobicContact CE1-CD1 4.22Å; F128-L155 HydrophobicContact CE2-CD1 3.73Å; F128-L155 HydrophobicContact CZ-CD1 3.61Å; L133-L155 HydrophobicContact CD2-CD1 4.24Å; L151-L155 HydrophobicContact CB-CD2 4.15Å; L151-L155 HydrophobicContact CD1-CD2 3.61Å; L151-L155 HydrophobicContact CG-CD2 4.35Å; P152-L155 HydrophobicContact CG-CB 4.48Å; P152-L155 WeakPolarHBondContact O-CB 3.23Å; P152-L155 PolarHBondContact O-N 2.77Å; P152-L155 VanDerWaalsContact O-N 3.15Å; A153-L155 VanDerWaalsContact C-N 3.33Å; L155-R157 PolarHBondContact O-N 2.81Å; L155-M158 HydrophobicContact CD1-SD 3.71Å; L155-M158 WeakPolarHBondContact O-CB 3.4Å; L155-M158 PolarHBondContact O-N 2.87Å; L155-L164 HydrophobicContact CD2-CD2 4.34Å; L155-A177 HydrophobicContact CB-CB 4.17Å; L155-L178 HydrophobicContact CD2-CD2 3.75Å; L155-M181 HydrophobicContact CD2-SD 3.58Å; L155-M181 VanDerWaalsContact CD2-SD 3.58Å; L155-M181 HydrophobicContact CG-CE 4.35Å; L155-M181 HydrophobicContact CG-SD 3.77Å |
| 156 | P | 96.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -61.3 | -11.4 | 176.6 | -25.3 | 37.4 | 0 | 0 | 0 | 115.2 | A153 E154 M158 A177 R180 | A153-P156 VanDerWaalsContact O-CD 3.23Å; A153-P156 WeakPolarHBondContact O-CD 3.29Å; E154-P156 VanDerWaalsContact O-N 3.13Å; P156-M158 PolarHBondContact O-N 2.94Å; P156-A177 WeakPolarHBondContact CG-O 3.31Å; P156-R180 HydrophobicContact CB-CB 4.04Å; P156-R180 HydrophobicContact CG-CB 3.68Å |
| 157 | R | 95.1 | Very high | 96.8 | Very high | 165 Ų | 165 | 41.8 Ų | 41.8 | 62% | 0.623 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -66.8 | -20.1 | 172 | -67.1 | -179 | 179.3 | 164.7 | -0.2 | 112.8 | E154 L155 T159 | E154-R157 VanDerWaalsContact O-CB 3.24Å; E154-R157 WeakPolarHBondContact O-CB 3.23Å; E154-R157 VanDerWaalsContact O-CG 3.29Å; E154-R157 WeakPolarHBondContact O-CG 3.43Å; E154-R157 PolarHBondContact O-N 3.32Å; L155-R157 PolarHBondContact O-N 2.81Å; R157-T159 PolarHBondContact O-N 3.45Å |
| 158 | M | 96 | Very high | 96.8 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | trans | -77.6 | 65.7 | 177.2 | -59.9 | 179 | 69.4 | 0 | 0 | 110.5 | F128 L132 L133 L138 L141 L155 P156 G160 L161 | F128-M158 HydrophobicContact CZ-SD 3.88Å; L132-M158 HydrophobicContact CB-CE 4.46Å; L133-M158 HydrophobicContact CD2-CG 4.39Å; L133-M158 HydrophobicContact CD2-SD 4.15Å; L138-M158 HydrophobicContact CD2-CE 3.66Å; L141-M158 HydrophobicContact CD2-CE 4.11Å; L155-M158 HydrophobicContact CD1-SD 3.71Å; L155-M158 WeakPolarHBondContact O-CB 3.4Å; L155-M158 PolarHBondContact O-N 2.87Å; P156-M158 PolarHBondContact O-N 2.94Å; M158-G160 PolarHBondContact O-N 3.44Å; M158-L161 HydrophobicContact CB-CB 4.26Å; M158-L161 HydrophobicContact CE-CD1 4.41Å; M158-L161 HydrophobicContact CE-CD2 4.49Å; M158-L161 WeakPolarHBondContact O-CB 3.27Å; M158-L161 PolarHBondContact O-N 3.22Å | ||
| 159 | T | 92.8 | Very high | 96.8 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 46% | 0.46 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.2 | -171.8 | 54.3 | 0 | 0 | 0 | 0 | 114.5 | R157 R162 | R157-T159 PolarHBondContact O-N 3.45Å; T159-R162 PolarHBondContact O-NH1 3.22Å |
| 160 | G | 93.4 | Very high | 96.8 | Very high | 12 Ų | 12 | 36.4 Ų | 36.4 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -21.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V136 L138 M158 R162 | V136-G160 WeakPolarHBondContact O-CA 3.17Å; L138-G160 CarbonylContact O-C 3.29Å; M158-G160 PolarHBondContact O-N 3.44Å; G160-R162 VanDerWaalsContact C-NH1 3.32Å; G160-R162 PolarHBondContact O-N 2.92Å; G160-R162 PolarHBondContact O-NH1 2.93Å |
| 161 | L | 96.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | trans | -67.1 | 132.6 | -170.5 | -158.3 | 72 | 0 | 0 | 0 | 111.3 | L138 L141 M158 L164 M181 L184 | L138-L161 HydrophobicContact CD2-CD1 4.3Å; L138-L161 HydrophobicContact CG-CD1 4.33Å; L138-L161 VanDerWaalsContact O-CA 3.27Å; L138-L161 WeakPolarHBondContact O-CA 3.32Å; L138-L161 PolarHBondContact O-N 2.8Å; L141-L161 HydrophobicContact CB-CD1 3.76Å; M158-L161 HydrophobicContact CB-CB 4.26Å; M158-L161 HydrophobicContact CE-CD1 4.41Å; M158-L161 HydrophobicContact CE-CD2 4.49Å; M158-L161 WeakPolarHBondContact O-CB 3.27Å; M158-L161 PolarHBondContact O-N 3.22Å; L161-L164 HydrophobicContact CD2-CB 3.99Å; L161-L164 HydrophobicContact CD2-CD1 4.28Å; L161-L164 HydrophobicContact CD2-CD2 4.22Å; L161-L164 HydrophobicContact CD2-CG 4.39Å; L161-M181 HydrophobicContact CB-CE 4.12Å; L161-M181 HydrophobicContact CD2-CE 3.72Å; L161-M181 HydrophobicContact CG-CE 4.5Å; L161-L184 HydrophobicContact CD2-CD1 4.37Å; L161-L184 HydrophobicContact CG-CD1 4.34Å | ||
| 162 | R | 95.4 | Very high | 96.7 | Very high | 61 Ų | 61 | 37.2 Ų | 37.2 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | trans | -124.3 | -33.7 | 179.8 | -61.6 | -57.9 | -179.1 | -94.9 | -8 | 111.7 | Q139 T159 G160 R183 L184 H185 I186 L264 | Q139-R162 PolarHBondContact O-N 2.81Å; T159-R162 PolarHBondContact O-NH1 3.22Å; G160-R162 VanDerWaalsContact C-NH1 3.32Å; G160-R162 PolarHBondContact O-N 2.92Å; G160-R162 PolarHBondContact O-NH1 2.93Å; R162-R183 WeakPolarHBondContact CD-O 3.16Å; R162-L184 WeakPolarHBondContact O-CD1 3.34Å; R162-H185 WeakPolarHBondContact O-CA 3.41Å; R162-H185 PolarHBondContact O-N 3.16Å; R162-I186 PolarHBondContact O-N 3.28Å; R162-L264 HydrophobicContact CB-CD1 4.11Å; R162-L264 HydrophobicContact CB-CD2 3.76Å | ||
| 163 | G | 96 | Very high | 96.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q139 L141 W165 | Q139-G163 PolarHBondContact O-N 3.32Å; L141-G163 PolarHBondContact N-O 3.15Å; G163-W165 VanDerWaalsContact C-CZ3 3.45Å |
| 164 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 116.1 | 176.3 | 179.1 | 56.8 | 0 | 0 | 0 | 110.2 | L141 L155 L161 L166 L178 L184 I186 L187 D188 | L141-L164 HydrophobicContact CB-CD1 4.18Å; L141-L164 HydrophobicContact CD2-CD1 4.11Å; L141-L164 HydrophobicContact CG-CD1 4.12Å; L155-L164 HydrophobicContact CD2-CD2 4.34Å; L161-L164 HydrophobicContact CD2-CB 3.99Å; L161-L164 HydrophobicContact CD2-CD1 4.28Å; L161-L164 HydrophobicContact CD2-CD2 4.22Å; L161-L164 HydrophobicContact CD2-CG 4.39Å; L164-L166 HydrophobicContact CD1-CD1 4.3Å; L164-L166 HydrophobicContact CD1-CD2 4.23Å; L164-L166 HydrophobicContact CD1-CG 4Å; L164-L166 HydrophobicContact CD2-CD1 3.85Å; L164-L166 HydrophobicContact CD2-CG 4.43Å; L164-L166 HydrophobicContact CG-CD1 3.88Å; L164-L166 HydrophobicContact CG-CG 3.94Å; L164-L178 HydrophobicContact CD2-CD2 3.57Å; L164-L184 HydrophobicContact CB-CD1 3.89Å; L164-L184 HydrophobicContact CB-CD2 4.31Å; L164-I186 PolarHBondContact N-O 3.1Å; L164-L187 HydrophobicContact CB-CD1 4.44Å; L164-L187 HydrophobicContact CD2-CD1 4.42Å; L164-L187 HydrophobicContact CG-CD1 4.42Å; L164-L187 WeakPolarHBondContact O-CA 3.31Å; L164-D188 PolarHBondContact O-N 3.25Å |
| 165 | W | 98.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120.7 | 178.3 | -64.7 | -106.2 | 0 | 0 | 0 | 110.3 | S140 L141 Q142 M143 G144 G163 Y167 I186 D188 L264 | S140-W165 VanDerWaalsContact OG-CZ3 3.26Å; S140-W165 WeakPolarHBondContact OG-CZ3 3.42Å; L141-W165 PolarHBondContact O-N 2.85Å; Q142-W165 VanDerWaalsContact CD-CG 3.45Å; Q142-W165 HydrophobicContact CG-CD2 4.43Å; Q142-W165 HydrophobicContact CG-CE3 4.09Å; Q142-W165 VanDerWaalsContact NE2-CG 3.32Å; M143-W165 CarbonylContact C-O 3.32Å; M143-W165 WeakPolarHBondContact CA-O 3.43Å; M143-W165 PolarHBondContact N-O 3.28Å; G144-W165 PolarHBondContact N-O 3.48Å; G163-W165 VanDerWaalsContact C-CZ3 3.45Å; W165-Y167 HydrophobicContact CB-CD1 4.05Å; W165-Y167 HydrophobicContact CB-CE1 4.14Å; W165-I186 HydrophobicContact CH2-CD1 4.39Å; W165-I186 HydrophobicContact CZ2-CB 4.41Å; W165-I186 HydrophobicContact CZ2-CD1 4.05Å; W165-I186 HydrophobicContact CZ2-CG2 3.86Å; W165-D188 HydrophobicContact CB-CB 4.22Å; W165-D188 VanDerWaalsContact CD1-CB 3.49Å; W165-D188 HydrophobicContact CG-CB 4.01Å; W165-L264 HydrophobicContact CH2-CD2 4.5Å; W165-L264 WeakPolarHBondContact CH2-O 3.43Å; W165-L264 WeakPolarHBondContact CZ2-O 3.26Å |
| 166 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -129.1 | 18.7 | -173.7 | -71.5 | 170.7 | 0 | 0 | 0 | 111.1 | M143 L148 L151 L164 N169 F171 D188 L189 N192 | M143-L166 HydrophobicContact CB-CD2 3.99Å; L148-L166 HydrophobicContact CD1-CD2 3.97Å; L151-L166 HydrophobicContact CD1-CD1 3.67Å; L151-L166 HydrophobicContact CD2-CD1 4.43Å; L151-L166 HydrophobicContact CD2-CD2 4.28Å; L164-L166 HydrophobicContact CD1-CD1 4.3Å; L164-L166 HydrophobicContact CD1-CD2 4.23Å; L164-L166 HydrophobicContact CD1-CG 4Å; L164-L166 HydrophobicContact CD2-CD1 3.85Å; L164-L166 HydrophobicContact CD2-CG 4.43Å; L164-L166 HydrophobicContact CG-CD1 3.88Å; L164-L166 HydrophobicContact CG-CG 3.94Å; L166-N169 WeakPolarHBondContact O-CB 3.48Å; L166-N169 PolarHBondContact O-ND2 3.03Å; L166-F171 HydrophobicContact CB-CE2 3.99Å; L166-F171 HydrophobicContact CD1-CE2 4.25Å; L166-F171 HydrophobicContact CD1-CZ 4.37Å; L166-F171 HydrophobicContact CD2-CE2 4.12Å; L166-F171 HydrophobicContact CD2-CZ 4.21Å; L166-F171 HydrophobicContact CG-CE2 4.36Å; L166-D188 CarbonylContact C-O 3.04Å; L166-D188 WeakPolarHBondContact CA-O 3.14Å; L166-D188 WeakPolarHBondContact CB-O 3.37Å; L166-D188 PolarHBondContact N-O 2.65Å; L166-L189 HydrophobicContact CB-CD2 3.81Å; L166-L189 HydrophobicContact CD1-CD2 3.99Å; L166-N192 PolarHBondContact O-ND2 3Å | ||
| 167 | Y | 97.2 | Very high | 96.6 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 155.5 | -179.1 | 65.1 | -94.1 | 0 | 0 | 0 | 112 | G144 D145 W165 N169 D188 D190 | G144-Y167 CarbonylContact C-O 3.58Å; G144-Y167 WeakPolarHBondContact CA-O 3.39Å; D145-Y167 PolarHBondContact N-O 3.2Å; D145-Y167 WeakPolarHBondContact OD2-CE2 3.12Å; W165-Y167 HydrophobicContact CB-CD1 4.05Å; W165-Y167 HydrophobicContact CB-CE1 4.14Å; Y167-N169 PolarHBondContact O-N 3.49Å; Y167-N169 VanDerWaalsContact O-N 3.16Å; Y167-N169 PolarHBondContact O-ND2 2.86Å; Y167-D188 PolarHBondContact N-O 3.1Å; Y167-D190 CarbonylContact C-O 3.44Å; Y167-D190 WeakPolarHBondContact CA-O 3.41Å; Y167-D190 WeakPolarHBondContact CB-O 3.42Å |
| 168 | G | 97.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 24.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D145 D190 R191 | D145-G168 WeakPolarHBondContact CA-O 3.14Å; G168-D190 PolarHBondContact N-O 3.44Å; G168-R191 CarbonylContact C-O 3.27Å; G168-R191 WeakPolarHBondContact CA-O 3.5Å; G168-R191 PolarHBondContact N-O 2.85Å |
| 169 | N | 98.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -99.3 | -159.5 | 175 | -82.5 | -78.3 | 0 | 0 | 0 | 110.7 | M143 N146 R147 L148 L166 Y167 F171 N192 | M143-N169 PolarHBondContact O-ND2 3.31Å; N146-N169 WeakPolarHBondContact CA-OD1 3.39Å; N146-N169 VanDerWaalsContact CB-OD1 3.26Å; N146-N169 WeakPolarHBondContact CB-OD1 3.37Å; R147-N169 PolarHBondContact N-OD1 2.89Å; L148-N169 HydrophobicContact CB-CB 4.3Å; L148-N169 VanDerWaalsContact CB-OD1 3.27Å; L148-N169 WeakPolarHBondContact CB-OD1 3Å; L148-N169 WeakPolarHBondContact CG-OD1 2.99Å; L148-N169 PolarHBondContact N-OD1 3.26Å; L166-N169 WeakPolarHBondContact O-CB 3.48Å; L166-N169 PolarHBondContact O-ND2 3.03Å; Y167-N169 PolarHBondContact O-N 3.49Å; Y167-N169 VanDerWaalsContact O-N 3.16Å; Y167-N169 PolarHBondContact O-ND2 2.86Å; N169-F171 HydrophobicContact CB-CD2 3.78Å; N169-F171 HydrophobicContact CB-CE2 3.61Å; N169-N192 VanDerWaalsContact CA-OD1 3.26Å; N169-N192 WeakPolarHBondContact CA-OD1 3.39Å; N169-N192 VanDerWaalsContact CB-OD1 3.23Å; N169-N192 WeakPolarHBondContact CB-OD1 3.4Å; N169-N192 PolarHBondContact N-OD1 3.45Å; N169-N192 PolarHBondContact O-OD1 3.46Å |
| 170 | R | 98 | Very high | 96.9 | Very high | 85 Ų | 85 | 42 Ų | 42 | 32% | 0.321 | 20% | 0.2 | S | C | . | . | trans | -129.3 | 35.6 | -174.3 | -55.7 | 175.5 | -175.7 | -175.6 | -5.2 | 111.2 | L148 R149 E172 N192 | L148-R170 CarbonylContact O-C 3.42Å; L148-R170 WeakPolarHBondContact O-CA 3.5Å; L148-R170 WeakPolarHBondContact O-CB 3.36Å; L148-R170 PolarHBondContact O-N 2.92Å; R149-R170 HydrophobicContact CG-CB 4.02Å; R170-E172 PolarHBondContact O-N 3.12Å; R170-N192 PolarHBondContact N-OD1 3.44Å | ||
| 171 | F | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -69.9 | 117.9 | 175 | -64 | -72.6 | 0 | 0 | 0 | 109.5 | L148 R149 L151 L166 N169 P175 L189 N192 R193 L194 | L148-F171 HydrophobicContact CB-CE1 4.35Å; L148-F171 HydrophobicContact CB-CE2 4.17Å; L148-F171 HydrophobicContact CB-CZ 3.71Å; L148-F171 HydrophobicContact CD1-CZ 4.28Å; R149-F171 WeakPolarHBondContact O-CD1 3.17Å; L151-F171 HydrophobicContact CD2-CE1 4.3Å; L151-F171 HydrophobicContact CD2-CZ 3.96Å; L151-F171 HydrophobicContact CG-CE1 3.92Å; L151-F171 HydrophobicContact CG-CZ 3.99Å; L166-F171 HydrophobicContact CB-CE2 3.99Å; L166-F171 HydrophobicContact CD1-CE2 4.25Å; L166-F171 HydrophobicContact CD1-CZ 4.37Å; L166-F171 HydrophobicContact CD2-CE2 4.12Å; L166-F171 HydrophobicContact CD2-CZ 4.21Å; L166-F171 HydrophobicContact CG-CE2 4.36Å; N169-F171 HydrophobicContact CB-CD2 3.78Å; N169-F171 HydrophobicContact CB-CE2 3.61Å; F171-P175 HydrophobicContact CD1-CG 3.77Å; F171-P175 HydrophobicContact CE1-CG 3.92Å; F171-P175 HydrophobicContact CG-CG 4.42Å; F171-L189 HydrophobicContact CD2-CD2 4.28Å; F171-N192 HydrophobicContact CB-CB 4.35Å; F171-N192 WeakPolarHBondContact CD2-OD1 3.37Å; F171-N192 PolarHBondContact N-OD1 2.84Å; F171-R193 CarbonylContact O-C 3.1Å; F171-R193 VanDerWaalsContact O-CA 3.23Å; F171-R193 WeakPolarHBondContact O-CA 3.4Å; F171-R193 WeakPolarHBondContact O-CB 3.32Å; F171-R193 PolarHBondContact O-N 3.48Å; F171-L194 HydrophobicContact CB-CD2 3.81Å; F171-L194 HydrophobicContact CB-CG 4.45Å; F171-L194 PolarHBondContact O-N 3.25Å | ||
| 172 | E | 96.8 | Very high | 96.9 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 48% | 0.481 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -90.5 | -26.8 | 176.4 | -68.5 | 171.5 | -159.8 | 0 | 0 | 111.4 | R149 R170 R193 G195 | R149-E172 IonicContact NH1-OE1 3.6Å; R170-E172 PolarHBondContact O-N 3.12Å; E172-R193 WeakPolarHBondContact CA-O 3.47Å; E172-R193 HydrophobicContact CG-CB 4.1Å; E172-G195 PolarHBondContact O-N 3.05Å |
| 173 | E | 96.7 | Very high | 96.7 | Very high | 162 Ų | 162 | 47.5 Ų | 47.5 | 76% | 0.757 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -129.7 | 153.1 | 175.3 | -65.4 | -178.9 | 178.8 | 0 | 0 | 110.6 | P175 L194 | E173-P175 WeakPolarHBondContact O-CD 3.38Å; E173-L194 VanDerWaalsContact O-CD2 3.3Å; E173-L194 WeakPolarHBondContact O-CD2 3.39Å |
| 174 | F | 96.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | trans | -65.3 | 124.7 | 176.9 | -176.5 | -87 | 0 | 0 | 0 | 110.3 | P176 L178 L179 L187 L189 F197 P198 L200 | F174-P176 WeakPolarHBondContact O-CD 3.39Å; F174-P176 VanDerWaalsContact O-N 3.16Å; F174-L178 HydrophobicContact CE1-CB 3.8Å; F174-L178 HydrophobicContact CE1-CD1 4.32Å; F174-L178 HydrophobicContact CE2-CD1 4.22Å; F174-L178 HydrophobicContact CZ-CB 3.73Å; F174-L178 HydrophobicContact CZ-CD1 3.92Å; F174-L178 HydrophobicContact CZ-CG 4.48Å; F174-L179 HydrophobicContact CD1-CD2 4.5Å; F174-L179 HydrophobicContact CD1-CG 4.48Å; F174-L179 HydrophobicContact CE1-CD2 3.72Å; F174-L179 HydrophobicContact CE1-CG 3.83Å; F174-L179 HydrophobicContact CZ-CD2 4.26Å; F174-L187 HydrophobicContact CE2-CD2 4.28Å; F174-L187 HydrophobicContact CZ-CD2 4.4Å; F174-L189 HydrophobicContact CD2-CD1 3.82Å; F174-L189 HydrophobicContact CE2-CD1 3.66Å; F174-F197 AromaticContact CD2-CD1 3.78Å; F174-F197 HydrophobicContact CD2-CD1 3.78Å; F174-F197 HydrophobicContact CD2-CE1 4.2Å; F174-F197 HydrophobicContact CE2-CD1 4.39Å; F174-P198 VanDerWaalsContact CB-CD 3.45Å; F174-P198 HydrophobicContact CB-CG 4.09Å; F174-P198 HydrophobicContact CD1-CG 3.48Å; F174-P198 VanDerWaalsContact CD1-CG 3.48Å; F174-P198 HydrophobicContact CD2-CG 4.5Å; F174-P198 HydrophobicContact CE1-CG 4.01Å; F174-P198 VanDerWaalsContact CG-CD 3.47Å; F174-P198 HydrophobicContact CG-CG 3.76Å; F174-L200 HydrophobicContact CD2-CD2 4.44Å; F174-L200 HydrophobicContact CE1-CD2 4.12Å; F174-L200 HydrophobicContact CE2-CD2 3.73Å; F174-L200 HydrophobicContact CZ-CD2 3.54Å | ||
| 175 | P | 96.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | trans | -64.7 | 113.4 | -179.6 | -22.7 | 33.3 | 0 | 0 | 0 | 112.3 | L151 F171 E173 A177 L178 | L151-P175 HydrophobicContact CB-CB 4.1Å; L151-P175 HydrophobicContact CD1-CB 3.81Å; L151-P175 HydrophobicContact CD1-CG 3.86Å; L151-P175 HydrophobicContact CG-CB 4.11Å; L151-P175 HydrophobicContact CG-CG 4.12Å; F171-P175 HydrophobicContact CD1-CG 3.77Å; F171-P175 HydrophobicContact CE1-CG 3.92Å; F171-P175 HydrophobicContact CG-CG 4.42Å; E173-P175 WeakPolarHBondContact O-CD 3.38Å; P175-A177 PolarHBondContact O-N 2.91Å; P175-A177 VanDerWaalsContact O-N 3.08Å; P175-L178 HydrophobicContact CB-CD1 4.02Å; P175-L178 HydrophobicContact CB-CG 4.18Å; P175-L178 HydrophobicContact CG-CD1 4.02Å; P175-L178 WeakPolarHBondContact O-CB 3.41Å; P175-L178 PolarHBondContact O-N 2.98Å | ||
| 176 | P | 96.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 50 Ų | 50 | 64% | 0.636 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -63.2 | -24.8 | -173.6 | -24.6 | 35.5 | 0 | 0 | 0 | 113.9 | F174 L178 L179 | F174-P176 WeakPolarHBondContact O-CD 3.39Å; F174-P176 VanDerWaalsContact O-N 3.16Å; P176-L178 PolarHBondContact O-N 3.3Å; P176-L179 WeakPolarHBondContact O-CB 3.43Å; P176-L179 PolarHBondContact O-N 3.14Å; P176-L179 VanDerWaalsContact O-N 3.16Å |
| 177 | A | 97.2 | Very high | 96.2 | Very high | 11 Ų | 11 | 50 Ų | 50 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -56.3 | -32.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L155 P156 P175 L179 R180 | L155-A177 HydrophobicContact CB-CB 4.17Å; P156-A177 WeakPolarHBondContact CG-O 3.31Å; P175-A177 PolarHBondContact O-N 2.91Å; P175-A177 VanDerWaalsContact O-N 3.08Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.3Å; A177-R180 PolarHBondContact O-N 3.15Å |
| 178 | L | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -63.2 | -35.1 | 179.6 | -66.7 | 171.8 | 0 | 0 | 0 | 112 | L151 L155 L164 F174 P175 P176 R180 M181 L187 L189 L203 | L151-L178 HydrophobicContact CD1-CD1 4.11Å; L151-L178 HydrophobicContact CD1-CD2 3.94Å; L151-L178 HydrophobicContact CD1-CG 4Å; L155-L178 HydrophobicContact CD2-CD2 3.75Å; L164-L178 HydrophobicContact CD2-CD2 3.57Å; F174-L178 HydrophobicContact CE1-CB 3.8Å; F174-L178 HydrophobicContact CE1-CD1 4.32Å; F174-L178 HydrophobicContact CE2-CD1 4.22Å; F174-L178 HydrophobicContact CZ-CB 3.73Å; F174-L178 HydrophobicContact CZ-CD1 3.92Å; F174-L178 HydrophobicContact CZ-CG 4.48Å; P175-L178 HydrophobicContact CB-CD1 4.02Å; P175-L178 HydrophobicContact CB-CG 4.18Å; P175-L178 HydrophobicContact CG-CD1 4.02Å; P175-L178 WeakPolarHBondContact O-CB 3.41Å; P175-L178 PolarHBondContact O-N 2.98Å; P176-L178 PolarHBondContact O-N 3.3Å; L178-R180 PolarHBondContact O-N 3.09Å; L178-M181 HydrophobicContact CD2-SD 3.81Å; L178-M181 VanDerWaalsContact O-CB 3.3Å; L178-M181 WeakPolarHBondContact O-CB 3.35Å; L178-M181 PolarHBondContact O-N 3.1Å; L178-L187 HydrophobicContact CD1-CD1 4.2Å; L178-L187 HydrophobicContact CD1-CD2 4.23Å; L178-L187 HydrophobicContact CD2-CD1 4.43Å; L178-L189 HydrophobicContact CD1-CD1 4.42Å; L178-L203 WeakPolarHBondContact O-CD2 3.47Å |
| 179 | L | 96.4 | Very high | 96.2 | Very high | 46 Ų | 46 | 48 Ų | 48 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -59.8 | -19.7 | -179.6 | -60.3 | 173.4 | 0 | 0 | 0 | 113.4 | F174 P176 A177 P198 D199 L200 P202 | F174-L179 HydrophobicContact CD1-CD2 4.5Å; F174-L179 HydrophobicContact CD1-CG 4.48Å; F174-L179 HydrophobicContact CE1-CD2 3.72Å; F174-L179 HydrophobicContact CE1-CG 3.83Å; F174-L179 HydrophobicContact CZ-CD2 4.26Å; P176-L179 WeakPolarHBondContact O-CB 3.43Å; P176-L179 PolarHBondContact O-N 3.14Å; P176-L179 VanDerWaalsContact O-N 3.16Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.3Å; L179-P198 HydrophobicContact CD1-CB 4.4Å; L179-P198 HydrophobicContact CD1-CG 4.21Å; L179-P198 HydrophobicContact CD2-CG 4.03Å; L179-D199 WeakPolarHBondContact CD2-O 3.05Å; L179-L200 HydrophobicContact CD2-CD2 3.82Å; L179-P202 WeakPolarHBondContact O-CB 3.36Å |
| 180 | R | 96.5 | Very high | 96 | Very high | 185 Ų | 185 | 48.1 Ų | 48.1 | 70% | 0.698 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -91.6 | -1.9 | 177.8 | -63.4 | 174.9 | 61.6 | -168 | -0.1 | 112.9 | P156 A177 L178 G182 | P156-R180 HydrophobicContact CB-CB 4.04Å; P156-R180 HydrophobicContact CG-CB 3.68Å; A177-R180 PolarHBondContact O-N 3.15Å; L178-R180 PolarHBondContact O-N 3.09Å; R180-G182 VanDerWaalsContact C-N 3.34Å; R180-G182 PolarHBondContact O-N 3.17Å |
| 181 | M | 95.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 6% | 0.064 | 23% | 0.23 | C | C | . | . | trans | -92.4 | 60.3 | -179.1 | -58 | -170.8 | 71.3 | 0 | 0 | 111.4 | L155 L161 L178 R183 L184 | L155-M181 HydrophobicContact CD2-SD 3.58Å; L155-M181 VanDerWaalsContact CD2-SD 3.58Å; L155-M181 HydrophobicContact CG-CE 4.35Å; L155-M181 HydrophobicContact CG-SD 3.77Å; L161-M181 HydrophobicContact CB-CE 4.12Å; L161-M181 HydrophobicContact CD2-CE 3.72Å; L161-M181 HydrophobicContact CG-CE 4.5Å; L178-M181 HydrophobicContact CD2-SD 3.81Å; L178-M181 VanDerWaalsContact O-CB 3.3Å; L178-M181 WeakPolarHBondContact O-CB 3.35Å; L178-M181 PolarHBondContact O-N 3.1Å; M181-R183 PolarHBondContact O-N 3.26Å; M181-L184 HydrophobicContact CB-CB 4.36Å; M181-L184 WeakPolarHBondContact O-CB 3.25Å; M181-L184 PolarHBondContact O-N 3.31Å | ||
| 182 | G | 92.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 32% | 0.32 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -4.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | R180 A205 | R180-G182 VanDerWaalsContact C-N 3.34Å; R180-G182 PolarHBondContact O-N 3.17Å; G182-A205 WeakPolarHBondContact O-CB 3.09Å; G182-A205 PolarHBondContact O-N 2.98Å |
| 183 | R | 93 | Very high | 95.9 | Very high | 147 Ų | 147 | 50.2 Ų | 50.2 | 56% | 0.555 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 0.2 | 175.8 | -65.5 | -175.6 | 176.1 | 154.1 | -1.8 | 113.8 | R162 M181 H185 | R162-R183 WeakPolarHBondContact CD-O 3.16Å; M181-R183 PolarHBondContact O-N 3.26Å; R183-H185 PolarHBondContact O-N 3.38Å |
| 184 | L | 94.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -72.3 | 123.5 | -179.6 | -162.8 | 71.8 | 0 | 0 | 0 | 109.6 | L161 R162 L164 M181 I186 L187 A205 L206 | L161-L184 HydrophobicContact CD2-CD1 4.37Å; L161-L184 HydrophobicContact CG-CD1 4.34Å; R162-L184 WeakPolarHBondContact O-CD1 3.34Å; L164-L184 HydrophobicContact CB-CD1 3.89Å; L164-L184 HydrophobicContact CB-CD2 4.31Å; M181-L184 HydrophobicContact CB-CB 4.36Å; M181-L184 WeakPolarHBondContact O-CB 3.25Å; M181-L184 PolarHBondContact O-N 3.31Å; L184-I186 WeakPolarHBondContact CG-O 3.37Å; L184-L187 HydrophobicContact CD2-CB 3.77Å; L184-L187 HydrophobicContact CD2-CD1 4.03Å; L184-L187 HydrophobicContact CD2-CD2 4.39Å; L184-L187 HydrophobicContact CD2-CG 4.27Å; L184-A205 CarbonylContact O-C 3.49Å; L184-A205 VanDerWaalsContact O-C 3.25Å; L184-L206 VanDerWaalsContact O-CA 3.22Å; L184-L206 WeakPolarHBondContact O-CA 3.32Å; L184-L206 PolarHBondContact O-N 2.8Å; L184-L206 VanDerWaalsContact O-N 3.15Å | ||
| 185 | H | 93.4 | Very high | 95.7 | Very high | 40 Ų | 40 | 44.1 Ų | 44.1 | 19% | 0.185 | 22% | 0.218 | C | C | . | . | trans | -90.6 | -38.4 | 177.2 | -62.6 | 150.2 | 0 | 0 | 0 | 111.7 | R162 R183 A205 R207 V208 | R162-H185 WeakPolarHBondContact O-CA 3.41Å; R162-H185 PolarHBondContact O-N 3.16Å; R183-H185 PolarHBondContact O-N 3.38Å; H185-A205 PolarHBondContact CD2-O 3.42Å; H185-A205 VanDerWaalsContact CD2-O 3.31Å; H185-R207 PolarHBondContact O-N 2.89Å; H185-V208 PolarHBondContact O-N 3.01Å | ||
| 186 | I | 94.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 45.3 Ų | 45.3 | 16% | 0.164 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126 | -176 | -56.9 | 173.9 | 0 | 0 | 0 | 108.7 | R162 L164 W165 L184 V208 | R162-I186 PolarHBondContact O-N 3.28Å; L164-I186 PolarHBondContact N-O 3.1Å; W165-I186 HydrophobicContact CH2-CD1 4.39Å; W165-I186 HydrophobicContact CZ2-CB 4.41Å; W165-I186 HydrophobicContact CZ2-CD1 4.05Å; W165-I186 HydrophobicContact CZ2-CG2 3.86Å; L184-I186 WeakPolarHBondContact CG-O 3.37Å; I186-V208 HydrophobicContact CG1-CB 4.3Å; I186-V208 HydrophobicContact CG2-CB 4.4Å |
| 187 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.7 | 170.2 | 178.9 | 58.9 | 0 | 0 | 0 | 109 | L164 F174 L178 L184 L189 L203 L206 V208 F209 S210 | L164-L187 HydrophobicContact CB-CD1 4.44Å; L164-L187 HydrophobicContact CD2-CD1 4.42Å; L164-L187 HydrophobicContact CG-CD1 4.42Å; L164-L187 WeakPolarHBondContact O-CA 3.31Å; F174-L187 HydrophobicContact CE2-CD2 4.28Å; F174-L187 HydrophobicContact CZ-CD2 4.4Å; L178-L187 HydrophobicContact CD1-CD1 4.2Å; L178-L187 HydrophobicContact CD1-CD2 4.23Å; L178-L187 HydrophobicContact CD2-CD1 4.43Å; L184-L187 HydrophobicContact CD2-CB 3.77Å; L184-L187 HydrophobicContact CD2-CD1 4.03Å; L184-L187 HydrophobicContact CD2-CD2 4.39Å; L184-L187 HydrophobicContact CD2-CG 4.27Å; L187-L189 HydrophobicContact CD1-CD1 4.49Å; L187-L189 HydrophobicContact CD1-CG 4.17Å; L187-L189 HydrophobicContact CD2-CD1 4.13Å; L187-L189 HydrophobicContact CG-CD1 4.32Å; L187-L189 HydrophobicContact CG-CG 4.24Å; L187-L203 HydrophobicContact CD2-CD1 4.25Å; L187-L206 HydrophobicContact CB-CD1 3.91Å; L187-V208 PolarHBondContact N-O 2.97Å; L187-F209 HydrophobicContact CB-CD2 3.94Å; L187-F209 HydrophobicContact CB-CE2 4.41Å; L187-F209 HydrophobicContact CD2-CD2 3.98Å; L187-F209 HydrophobicContact CD2-CE2 3.76Å; L187-F209 HydrophobicContact CG-CD2 3.9Å; L187-F209 HydrophobicContact CG-CE2 3.86Å; L187-F209 WeakPolarHBondContact O-CA 3.23Å; L187-F209 WeakPolarHBondContact O-CD2 3.26Å; L187-S210 PolarHBondContact O-N 3.23Å |
| 188 | D | 96.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.6 | 174.1 | -170.3 | -1.3 | 0 | 0 | 0 | 110.4 | L164 W165 L166 Y167 D190 S210 | L164-D188 PolarHBondContact O-N 3.25Å; W165-D188 HydrophobicContact CB-CB 4.22Å; W165-D188 VanDerWaalsContact CD1-CB 3.49Å; W165-D188 HydrophobicContact CG-CB 4.01Å; L166-D188 CarbonylContact C-O 3.04Å; L166-D188 WeakPolarHBondContact CA-O 3.14Å; L166-D188 WeakPolarHBondContact CB-O 3.37Å; L166-D188 PolarHBondContact N-O 2.65Å; Y167-D188 PolarHBondContact N-O 3.1Å; D188-D190 WeakPolarHBondContact OD1-CB 3.31Å; D188-D190 PolarHBondContact OD1-N 3.34Å; D188-S210 VanDerWaalsContact OD1-CB 3.22Å; D188-S210 WeakPolarHBondContact OD1-CB 3.46Å; D188-S210 PolarHBondContact OD1-OG 2.78Å |
| 189 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -120.9 | 17.4 | 176.6 | -73.1 | 173.7 | 0 | 0 | 0 | 111.6 | L166 F171 F174 L178 L187 N192 L194 F197 F209 S210 N214 | L166-L189 HydrophobicContact CB-CD2 3.81Å; L166-L189 HydrophobicContact CD1-CD2 3.99Å; F171-L189 HydrophobicContact CD2-CD2 4.28Å; F174-L189 HydrophobicContact CD2-CD1 3.82Å; F174-L189 HydrophobicContact CE2-CD1 3.66Å; L178-L189 HydrophobicContact CD1-CD1 4.42Å; L187-L189 HydrophobicContact CD1-CD1 4.49Å; L187-L189 HydrophobicContact CD1-CG 4.17Å; L187-L189 HydrophobicContact CD2-CD1 4.13Å; L187-L189 HydrophobicContact CG-CD1 4.32Å; L187-L189 HydrophobicContact CG-CG 4.24Å; L189-N192 PolarHBondContact O-ND2 3.01Å; L189-L194 HydrophobicContact CB-CD1 4.04Å; L189-L194 HydrophobicContact CD1-CD1 4.02Å; L189-L194 HydrophobicContact CG-CD1 4.48Å; L189-F197 HydrophobicContact CD1-CE1 4.44Å; L189-F209 HydrophobicContact CB-CE2 4.29Å; L189-F209 HydrophobicContact CD1-CE2 3.93Å; L189-F209 HydrophobicContact CD1-CZ 4.2Å; L189-F209 HydrophobicContact CG-CE2 4.31Å; L189-S210 PolarHBondContact N-O 2.95Å; L189-N214 PolarHBondContact O-ND2 3.42Å | ||
| 190 | D | 94.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | trans | -52.3 | 151.7 | 176.2 | -178.4 | 33.4 | 0 | 0 | 0 | 111.9 | Y167 G168 D188 N192 D212 H213 | Y167-D190 CarbonylContact C-O 3.44Å; Y167-D190 WeakPolarHBondContact CA-O 3.41Å; Y167-D190 WeakPolarHBondContact CB-O 3.42Å; G168-D190 PolarHBondContact N-O 3.44Å; D188-D190 WeakPolarHBondContact OD1-CB 3.31Å; D188-D190 PolarHBondContact OD1-N 3.34Å; D190-N192 PolarHBondContact O-N 3.46Å; D190-N192 PolarHBondContact O-ND2 2.79Å; D190-N192 VanDerWaalsContact O-ND2 3.14Å; D190-D212 CarbonylContact C-O 3.57Å; D190-D212 VanDerWaalsContact CA-O 3.29Å; D190-D212 WeakPolarHBondContact CA-O 3.32Å; D190-D212 WeakPolarHBondContact OD1-CA 3.35Å; D190-D212 VanDerWaalsContact OD1-CB 3.25Å; D190-D212 WeakPolarHBondContact OD1-CB 3.48Å; D190-H213 IonicContact OD1-CE1 2.82Å; D190-H213 IonicContact OD1-CG 2.69Å; D190-H213 IonicContact OD1-ND1 3.48Å; D190-H213 PolarHBondContact OD1-ND1 2.86Å; D190-H213 IonicContact OD2-ND1 3.42Å | ||
| 191 | R | 96 | Very high | 94.6 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 33% | 0.328 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 51.8 | 51.6 | 176.7 | -63.9 | 177.7 | 176.5 | 104.8 | -15.6 | 113.7 | G168 D212 H213 G279 S280 | G168-R191 CarbonylContact C-O 3.27Å; G168-R191 WeakPolarHBondContact CA-O 3.5Å; G168-R191 PolarHBondContact N-O 2.85Å; R191-D212 PolarHBondContact N-O 2.99Å; R191-H213 WeakPolarHBondContact CA-O 3.22Å; R191-H213 HydrophobicContact CB-CB 4.27Å; R191-H213 HydrophobicContact CG-CB 3.59Å; R191-G279 PolarHBondContact NH2-O 2.8Å; R191-S280 PolarHBondContact NH1-OG 3.25Å; R191-S280 PolarHBondContact NH2-OG 3.3Å |
| 192 | N | 97.7 | Very high | 94.5 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -115.3 | -160.3 | 170.6 | -83.9 | -77.1 | 0 | 0 | 0 | 110.2 | L166 N169 R170 F171 L189 D190 L194 N214 | L166-N192 PolarHBondContact O-ND2 3Å; N169-N192 VanDerWaalsContact CA-OD1 3.26Å; N169-N192 WeakPolarHBondContact CA-OD1 3.39Å; N169-N192 VanDerWaalsContact CB-OD1 3.23Å; N169-N192 WeakPolarHBondContact CB-OD1 3.4Å; N169-N192 PolarHBondContact N-OD1 3.45Å; N169-N192 PolarHBondContact O-OD1 3.46Å; R170-N192 PolarHBondContact N-OD1 3.44Å; F171-N192 HydrophobicContact CB-CB 4.35Å; F171-N192 WeakPolarHBondContact CD2-OD1 3.37Å; F171-N192 PolarHBondContact N-OD1 2.84Å; L189-N192 PolarHBondContact O-ND2 3.01Å; D190-N192 PolarHBondContact O-N 3.46Å; D190-N192 PolarHBondContact O-ND2 2.79Å; D190-N192 VanDerWaalsContact O-ND2 3.14Å; N192-L194 HydrophobicContact CB-CD1 4.4Å; N192-L194 HydrophobicContact CB-CG 4.14Å; N192-N214 WeakPolarHBondContact CA-OD1 3.48Å; N192-N214 WeakPolarHBondContact CB-OD1 3.21Å; N192-N214 PolarHBondContact N-OD1 2.89Å; N192-N214 PolarHBondContact O-OD1 3.49Å |
| 193 | R | 97 | Very high | 94.5 | Very high | 135 Ų | 135 | 42.5 Ų | 42.5 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | trans | -123.8 | 27.9 | -179.5 | -59.6 | 179.4 | -178.8 | -170.1 | -7.6 | 111.3 | F171 E172 G195 N214 | F171-R193 CarbonylContact O-C 3.1Å; F171-R193 VanDerWaalsContact O-CA 3.23Å; F171-R193 WeakPolarHBondContact O-CA 3.4Å; F171-R193 WeakPolarHBondContact O-CB 3.32Å; F171-R193 PolarHBondContact O-N 3.48Å; E172-R193 WeakPolarHBondContact CA-O 3.47Å; E172-R193 HydrophobicContact CG-CB 4.1Å; R193-G195 PolarHBondContact O-N 2.96Å; R193-N214 PolarHBondContact N-OD1 2.93Å | ||
| 194 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -67.7 | 121.2 | -175.8 | -60 | 172.4 | 0 | 0 | 0 | 109.4 | F171 E173 L189 N192 G196 F197 N214 P215 V216 | F171-L194 HydrophobicContact CB-CD2 3.81Å; F171-L194 HydrophobicContact CB-CG 4.45Å; F171-L194 PolarHBondContact O-N 3.25Å; E173-L194 VanDerWaalsContact O-CD2 3.3Å; E173-L194 WeakPolarHBondContact O-CD2 3.39Å; L189-L194 HydrophobicContact CB-CD1 4.04Å; L189-L194 HydrophobicContact CD1-CD1 4.02Å; L189-L194 HydrophobicContact CG-CD1 4.48Å; N192-L194 HydrophobicContact CB-CD1 4.4Å; N192-L194 HydrophobicContact CB-CG 4.14Å; L194-G196 VanDerWaalsContact C-N 3.31Å; L194-F197 HydrophobicContact CB-CE1 4.46Å; L194-F197 HydrophobicContact CB-CZ 4.24Å; L194-F197 HydrophobicContact CD1-CD1 4.48Å; L194-F197 HydrophobicContact CD1-CE1 3.43Å; L194-F197 VanDerWaalsContact CD1-CE1 3.43Å; L194-F197 HydrophobicContact CD1-CZ 3.7Å; L194-N214 HydrophobicContact CB-CB 4.21Å; L194-N214 VanDerWaalsContact CB-OD1 3.28Å; L194-N214 WeakPolarHBondContact CB-OD1 3.39Å; L194-N214 VanDerWaalsContact CG-OD1 3.31Å; L194-N214 WeakPolarHBondContact CG-OD1 3.07Å; L194-N214 PolarHBondContact N-OD1 2.85Å; L194-P215 CarbonylContact O-C 3.5Å; L194-P215 VanDerWaalsContact O-CD 3.23Å; L194-P215 WeakPolarHBondContact O-CD 3.35Å; L194-P215 WeakPolarHBondContact O-CG 3.41Å; L194-V216 HydrophobicContact CB-CG1 4.46Å; L194-V216 WeakPolarHBondContact O-CG1 3.34Å | ||
| 195 | G | 93.2 | Very high | 94.4 | Very high | 47 Ų | 47 | 47.1 Ų | 47.1 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -79.5 | -14.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E172 R193 | E172-G195 PolarHBondContact O-N 3.05Å; R193-G195 PolarHBondContact O-N 2.96Å |
| 196 | G | 92.6 | Very high | 94.4 | Very high | 35 Ų | 35 | 45.3 Ų | 45.3 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | trans | -179.1 | 172.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L194 | L194-G196 VanDerWaalsContact C-N 3.31Š| ||
| 197 | F | 93.7 | Very high | 94.2 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | trans | -119.8 | 140.5 | -179.9 | -64.7 | -77.8 | 0 | 0 | 0 | 111 | F174 L189 L194 F209 Y211 V216 P220 | F174-F197 AromaticContact CD2-CD1 3.78Å; F174-F197 HydrophobicContact CD2-CD1 3.78Å; F174-F197 HydrophobicContact CD2-CE1 4.2Å; F174-F197 HydrophobicContact CE2-CD1 4.39Å; L189-F197 HydrophobicContact CD1-CE1 4.44Å; L194-F197 HydrophobicContact CB-CE1 4.46Å; L194-F197 HydrophobicContact CB-CZ 4.24Å; L194-F197 HydrophobicContact CD1-CD1 4.48Å; L194-F197 HydrophobicContact CD1-CE1 3.43Å; L194-F197 VanDerWaalsContact CD1-CE1 3.43Å; L194-F197 HydrophobicContact CD1-CZ 3.7Å; F197-F209 HydrophobicContact CD1-CE1 4.21Å; F197-F209 AromaticContact CD1-CZ 3.93Å; F197-F209 HydrophobicContact CD1-CZ 3.93Å; F197-F209 HydrophobicContact CE1-CE1 4.16Å; F197-F209 AromaticContact CE1-CZ 3.61Å; F197-F209 HydrophobicContact CE1-CZ 3.61Å; F197-F209 HydrophobicContact CZ-CZ 4.23Å; F197-Y211 AromaticContact CE2-CD2 3.64Å; F197-Y211 HydrophobicContact CE2-CD2 3.64Å; F197-Y211 AromaticContact CE2-CG 3.96Å; F197-Y211 HydrophobicContact CE2-CG 3.96Å; F197-Y211 HydrophobicContact CZ-CD2 4.11Å; F197-Y211 HydrophobicContact CZ-CG 4.1Å; F197-V216 HydrophobicContact CD2-CG1 3.93Å; F197-V216 HydrophobicContact CE2-CB 4.23Å; F197-V216 HydrophobicContact CE2-CG1 3.41Å; F197-V216 VanDerWaalsContact CE2-CG1 3.41Å; F197-V216 HydrophobicContact CE2-CG2 4.21Å; F197-V216 HydrophobicContact CZ-CG1 4.12Å; F197-P220 HydrophobicContact CB-CB 3.8Å; F197-P220 HydrophobicContact CD2-CB 3.81Å; F197-P220 HydrophobicContact CD2-CG 4.43Å; F197-P220 HydrophobicContact CG-CB 3.82Å | ||
| 198 | P | 94.2 | Very high | 93.9 | Very high | 48 Ų | 48 | 50.2 Ų | 50.2 | 31% | 0.312 | 25% | 0.253 | S | S | . | . | trans | -69.6 | 179.9 | 164.8 | 33.8 | -36 | 0 | 0 | 0 | 110.2 | F174 L179 L200 | F174-P198 VanDerWaalsContact CB-CD 3.45Å; F174-P198 HydrophobicContact CB-CG 4.09Å; F174-P198 HydrophobicContact CD1-CG 3.48Å; F174-P198 VanDerWaalsContact CD1-CG 3.48Å; F174-P198 HydrophobicContact CD2-CG 4.5Å; F174-P198 HydrophobicContact CE1-CG 4.01Å; F174-P198 VanDerWaalsContact CG-CD 3.47Å; F174-P198 HydrophobicContact CG-CG 3.76Å; L179-P198 HydrophobicContact CD1-CB 4.4Å; L179-P198 HydrophobicContact CD1-CG 4.21Å; L179-P198 HydrophobicContact CD2-CG 4.03Å; P198-L200 HydrophobicContact CG-CD2 4.09Å; P198-L200 PolarHBondContact O-N 2.91Å | ||
| 199 | D | 93.3 | Very high | 93.8 | Very high | 79 Ų | 79 | 49.1 Ų | 49.1 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | trans | -67.7 | 121.6 | 168.9 | -173.8 | 10.5 | 0 | 0 | 0 | 111.2 | L179 H201 P202 | L179-D199 WeakPolarHBondContact CD2-O 3.05Å; D199-H201 IonicContact OD1-CE1 2.67Å; D199-H201 IonicContact OD1-CG 3.85Å; D199-H201 PolarHBondContact OD1-N 3.06Å; D199-H201 VanDerWaalsContact OD1-N 3.1Å; D199-H201 IonicContact OD1-ND1 3.69Å; D199-H201 PolarHBondContact OD1-ND1 3.33Å; D199-H201 IonicContact OD2-CG 3.39Å; D199-H201 IonicContact OD2-ND1 3.09Å; D199-P202 WeakPolarHBondContact O-CD 3.37Å | ||
| 200 | L | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | trans | -96.9 | 4.2 | -178.2 | -55.2 | -176.1 | 0 | 0 | 0 | 113.3 | F174 L179 P198 P202 L203 F209 P220 R221 V222 | F174-L200 HydrophobicContact CD2-CD2 4.44Å; F174-L200 HydrophobicContact CE1-CD2 4.12Å; F174-L200 HydrophobicContact CE2-CD2 3.73Å; F174-L200 HydrophobicContact CZ-CD2 3.54Å; L179-L200 HydrophobicContact CD2-CD2 3.82Å; P198-L200 HydrophobicContact CG-CD2 4.09Å; P198-L200 PolarHBondContact O-N 2.91Å; L200-P202 VanDerWaalsContact O-N 3.14Å; L200-L203 HydrophobicContact CB-CD1 4.34Å; L200-L203 HydrophobicContact CD2-CD1 4.33Å; L200-L203 WeakPolarHBondContact O-CB 3.17Å; L200-L203 PolarHBondContact O-N 2.91Å; L200-F209 HydrophobicContact CD1-CD1 3.67Å; L200-F209 HydrophobicContact CD1-CE1 3.32Å; L200-F209 HydrophobicContact CD1-CG 4.38Å; L200-F209 HydrophobicContact CD1-CZ 3.81Å; L200-P220 HydrophobicContact CD1-CB 4.09Å; L200-R221 VanDerWaalsContact CB-O 3.32Å; L200-R221 WeakPolarHBondContact CB-O 3.4Å; L200-R221 PolarHBondContact N-O 2.99Å; L200-V222 HydrophobicContact CB-CG1 3.91Å; L200-V222 HydrophobicContact CD1-CG1 3.82Å; L200-V222 HydrophobicContact CG-CG1 4.36Å | ||
| 201 | H | 90.5 | Very high | 93.6 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.458 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -29.9 | 171 | -76.9 | 81.5 | 0 | 0 | 0 | 115.1 | D199 L203 | D199-H201 IonicContact OD1-CE1 2.67Å; D199-H201 IonicContact OD1-CG 3.85Å; D199-H201 PolarHBondContact OD1-N 3.06Å; D199-H201 VanDerWaalsContact OD1-N 3.1Å; D199-H201 IonicContact OD1-ND1 3.69Å; D199-H201 PolarHBondContact OD1-ND1 3.33Å; D199-H201 IonicContact OD2-CG 3.39Å; D199-H201 IonicContact OD2-ND1 3.09Å; H201-L203 PolarHBondContact O-N 2.77Å |
| 202 | P | 93.1 | Very high | 93.3 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.8 | 172.7 | -28 | 37.7 | 0 | 0 | 0 | 114.9 | L179 D199 L200 R204 | L179-P202 WeakPolarHBondContact O-CB 3.36Å; D199-P202 WeakPolarHBondContact O-CD 3.37Å; L200-P202 VanDerWaalsContact O-N 3.14Å; P202-R204 PolarHBondContact O-N 3.01Å |
| 203 | L | 93.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | trans | -80.1 | 66 | 177 | -58.9 | 179.5 | 0 | 0 | 0 | 110.8 | L178 L187 L200 H201 A205 L206 | L178-L203 WeakPolarHBondContact O-CD2 3.47Å; L187-L203 HydrophobicContact CD2-CD1 4.25Å; L200-L203 HydrophobicContact CB-CD1 4.34Å; L200-L203 HydrophobicContact CD2-CD1 4.33Å; L200-L203 WeakPolarHBondContact O-CB 3.17Å; L200-L203 PolarHBondContact O-N 2.91Å; H201-L203 PolarHBondContact O-N 2.77Å; L203-A205 PolarHBondContact O-N 3.36Å; L203-A205 VanDerWaalsContact O-N 3.16Å; L203-L206 HydrophobicContact CB-CB 3.84Å; L203-L206 HydrophobicContact CB-CD2 4.08Å; L203-L206 HydrophobicContact CB-CG 4.49Å; L203-L206 HydrophobicContact CD1-CD2 3.82Å; L203-L206 WeakPolarHBondContact O-CB 3.33Å; L203-L206 PolarHBondContact O-N 2.93Å | ||
| 204 | R | 91.6 | Very high | 92.9 | Very high | 218 Ų | 218 | 45.9 Ų | 45.9 | 82% | 0.823 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.6 | -169.4 | -64.5 | 174.8 | -176.9 | -110.2 | -0.3 | 114.8 | P202 | P202-R204 PolarHBondContact O-N 3.01Š|
| 205 | A | 93.1 | Very high | 92.7 | Very high | 27 Ų | 27 | 50 Ų | 50 | 22% | 0.223 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -2.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G182 L184 H185 L203 R207 | G182-A205 WeakPolarHBondContact O-CB 3.09Å; G182-A205 PolarHBondContact O-N 2.98Å; L184-A205 CarbonylContact O-C 3.49Å; L184-A205 VanDerWaalsContact O-C 3.25Å; H185-A205 PolarHBondContact CD2-O 3.42Å; H185-A205 VanDerWaalsContact CD2-O 3.31Å; L203-A205 PolarHBondContact O-N 3.36Å; L203-A205 VanDerWaalsContact O-N 3.16Å; A205-R207 PolarHBondContact O-N 3.25Å |
| 206 | L | 93.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -62.6 | 132.9 | -175.6 | -164.5 | 66.6 | 0 | 0 | 0 | 110.2 | L184 L187 L203 V208 F209 V226 | L184-L206 VanDerWaalsContact O-CA 3.22Å; L184-L206 WeakPolarHBondContact O-CA 3.32Å; L184-L206 PolarHBondContact O-N 2.8Å; L184-L206 VanDerWaalsContact O-N 3.15Å; L187-L206 HydrophobicContact CB-CD1 3.91Å; L203-L206 HydrophobicContact CB-CB 3.84Å; L203-L206 HydrophobicContact CB-CD2 4.08Å; L203-L206 HydrophobicContact CB-CG 4.49Å; L203-L206 HydrophobicContact CD1-CD2 3.82Å; L203-L206 WeakPolarHBondContact O-CB 3.33Å; L203-L206 PolarHBondContact O-N 2.93Å; L206-V208 WeakPolarHBondContact CD1-O 3.49Å; L206-F209 HydrophobicContact CD2-CB 3.9Å; L206-F209 HydrophobicContact CD2-CG 4.36Å; L206-F209 HydrophobicContact CG-CB 4.46Å; L206-V226 HydrophobicContact CB-CG2 4.14Å; L206-V226 HydrophobicContact CD2-CG1 4.16Å; L206-V226 HydrophobicContact CD2-CG2 4.38Å; L206-V226 HydrophobicContact CG-CG1 4.23Å; L206-V226 HydrophobicContact CG-CG2 4.35Å; L206-V226 WeakPolarHBondContact O-CG2 3.25Å | ||
| 207 | R | 90.5 | Very high | 92.3 | Very high | 104 Ų | 104 | 54.1 Ų | 54.1 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | trans | -120 | -38.5 | 179.2 | -68.9 | 175.7 | 176.6 | 166.2 | -6.2 | 111 | H185 A205 F227 | H185-R207 PolarHBondContact O-N 2.89Å; A205-R207 PolarHBondContact O-N 3.25Å; R207-F227 WeakPolarHBondContact O-CB 3.44Å; R207-F227 PolarHBondContact O-N 2.99Å | ||
| 208 | V | 90.8 | Very high | 91.8 | Very high | 31 Ų | 31 | 53.8 Ų | 53.8 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.3 | 179.8 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | H185 I186 L187 L206 F227 P252 | H185-V208 PolarHBondContact O-N 3.01Å; I186-V208 HydrophobicContact CG1-CB 4.3Å; I186-V208 HydrophobicContact CG2-CB 4.4Å; L187-V208 PolarHBondContact N-O 2.97Å; L206-V208 WeakPolarHBondContact CD1-O 3.49Å; V208-F227 WeakPolarHBondContact CA-O 3.27Å; V208-P252 HydrophobicContact CG2-CG 4.48Å |
| 209 | F | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 114.6 | 171.2 | -176.8 | -133.4 | 0 | 0 | 0 | 110.8 | L187 L189 F197 L200 L206 Y211 P220 V222 V226 F227 L228 V229 | L187-F209 HydrophobicContact CB-CD2 3.94Å; L187-F209 HydrophobicContact CB-CE2 4.41Å; L187-F209 HydrophobicContact CD2-CD2 3.98Å; L187-F209 HydrophobicContact CD2-CE2 3.76Å; L187-F209 HydrophobicContact CG-CD2 3.9Å; L187-F209 HydrophobicContact CG-CE2 3.86Å; L187-F209 WeakPolarHBondContact O-CA 3.23Å; L187-F209 WeakPolarHBondContact O-CD2 3.26Å; L189-F209 HydrophobicContact CB-CE2 4.29Å; L189-F209 HydrophobicContact CD1-CE2 3.93Å; L189-F209 HydrophobicContact CD1-CZ 4.2Å; L189-F209 HydrophobicContact CG-CE2 4.31Å; F197-F209 HydrophobicContact CD1-CE1 4.21Å; F197-F209 AromaticContact CD1-CZ 3.93Å; F197-F209 HydrophobicContact CD1-CZ 3.93Å; F197-F209 HydrophobicContact CE1-CE1 4.16Å; F197-F209 AromaticContact CE1-CZ 3.61Å; F197-F209 HydrophobicContact CE1-CZ 3.61Å; F197-F209 HydrophobicContact CZ-CZ 4.23Å; L200-F209 HydrophobicContact CD1-CD1 3.67Å; L200-F209 HydrophobicContact CD1-CE1 3.32Å; L200-F209 HydrophobicContact CD1-CG 4.38Å; L200-F209 HydrophobicContact CD1-CZ 3.81Å; L206-F209 HydrophobicContact CD2-CB 3.9Å; L206-F209 HydrophobicContact CD2-CG 4.36Å; L206-F209 HydrophobicContact CG-CB 4.46Å; F209-Y211 HydrophobicContact CD1-CD1 4.12Å; F209-Y211 HydrophobicContact CE1-CD1 4.08Å; F209-Y211 HydrophobicContact CE1-CG 4.24Å; F209-P220 HydrophobicContact CD1-CB 4.39Å; F209-P220 HydrophobicContact CD1-CG 3.78Å; F209-P220 HydrophobicContact CE1-CB 3.89Å; F209-P220 HydrophobicContact CE1-CG 3.59Å; F209-V222 HydrophobicContact CD1-CG1 4.17Å; F209-V226 HydrophobicContact CB-CG1 3.93Å; F209-F227 PolarHBondContact N-O 3.32Å; F209-L228 HydrophobicContact CB-CD2 4.13Å; F209-L228 HydrophobicContact CD1-CD2 3.74Å; F209-L228 HydrophobicContact CG-CD2 4.4Å; F209-L228 CarbonylContact O-C 3.39Å; F209-L228 WeakPolarHBondContact O-CA 3.39Å; F209-V229 PolarHBondContact O-N 2.94Å |
| 210 | S | 92.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 49.9 Ų | 49.9 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.5 | 174.9 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | L187 D188 L189 V229 | L187-S210 PolarHBondContact O-N 3.23Å; D188-S210 VanDerWaalsContact OD1-CB 3.22Å; D188-S210 WeakPolarHBondContact OD1-CB 3.46Å; D188-S210 PolarHBondContact OD1-OG 2.78Å; L189-S210 PolarHBondContact N-O 2.95Å; S210-V229 WeakPolarHBondContact CA-O 3.01Å |
| 211 | Y | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | trans | -141.1 | 9.8 | -176.3 | 72.7 | -88.9 | 0 | 0 | 0 | 113.8 | F197 F209 N214 V216 P219 P220 L228 V229 E231 | F197-Y211 AromaticContact CE2-CD2 3.64Å; F197-Y211 HydrophobicContact CE2-CD2 3.64Å; F197-Y211 AromaticContact CE2-CG 3.96Å; F197-Y211 HydrophobicContact CE2-CG 3.96Å; F197-Y211 HydrophobicContact CZ-CD2 4.11Å; F197-Y211 HydrophobicContact CZ-CG 4.1Å; F209-Y211 HydrophobicContact CD1-CD1 4.12Å; F209-Y211 HydrophobicContact CE1-CD1 4.08Å; F209-Y211 HydrophobicContact CE1-CG 4.24Å; Y211-N214 PolarHBondContact O-ND2 3.04Å; Y211-V216 HydrophobicContact CD2-CG2 4.13Å; Y211-V216 HydrophobicContact CE2-CG2 4.08Å; Y211-P219 WeakPolarHBondContact OH-CB 3.36Å; Y211-P220 HydrophobicContact CD1-CG 3.83Å; Y211-P220 HydrophobicContact CE1-CG 3.77Å; Y211-P220 HydrophobicContact CG-CG 4.34Å; Y211-L228 HydrophobicContact CD1-CD2 4.3Å; Y211-L228 HydrophobicContact CE1-CB 4.36Å; Y211-L228 HydrophobicContact CE1-CD2 4.06Å; Y211-V229 WeakPolarHBondContact CD1-O 3.16Å; Y211-V229 PolarHBondContact N-O 3.02Å; Y211-E231 PolarHBondContact OH-O 3.08Å | ||
| 212 | D | 90.2 | Very high | 91 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | trans | -57.1 | 168.8 | -175.1 | -157 | 13.3 | 0 | 0 | 0 | 112.6 | D190 R191 N214 E231 | D190-D212 CarbonylContact C-O 3.57Å; D190-D212 VanDerWaalsContact CA-O 3.29Å; D190-D212 WeakPolarHBondContact CA-O 3.32Å; D190-D212 WeakPolarHBondContact OD1-CA 3.35Å; D190-D212 VanDerWaalsContact OD1-CB 3.25Å; D190-D212 WeakPolarHBondContact OD1-CB 3.48Å; R191-D212 PolarHBondContact N-O 2.99Å; D212-N214 PolarHBondContact O-N 3.26Å; D212-N214 PolarHBondContact O-ND2 3.29Å; D212-E231 PolarHBondContact OD1-N 2.95Å | ||
| 213 | H | 92.8 | Very high | 90.7 | Very high | 100 Ų | 100 | 52.4 Ų | 52.4 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 48.8 | 40.6 | 178.7 | -52 | 86.8 | 0 | 0 | 0 | 113.9 | D190 R191 | D190-H213 IonicContact OD1-CE1 2.82Å; D190-H213 IonicContact OD1-CG 2.69Å; D190-H213 IonicContact OD1-ND1 3.48Å; D190-H213 PolarHBondContact OD1-ND1 2.86Å; D190-H213 IonicContact OD2-ND1 3.42Å; R191-H213 WeakPolarHBondContact CA-O 3.22Å; R191-H213 HydrophobicContact CB-CB 4.27Å; R191-H213 HydrophobicContact CG-CB 3.59Å |
| 214 | N | 93.3 | Very high | 90.2 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.053 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -117.2 | 148.6 | 168.4 | -80.1 | -86.9 | 0 | 0 | 0 | 109 | L189 N192 R193 L194 Y211 D212 V216 | L189-N214 PolarHBondContact O-ND2 3.42Å; N192-N214 WeakPolarHBondContact CA-OD1 3.48Å; N192-N214 WeakPolarHBondContact CB-OD1 3.21Å; N192-N214 PolarHBondContact N-OD1 2.89Å; N192-N214 PolarHBondContact O-OD1 3.49Å; R193-N214 PolarHBondContact N-OD1 2.93Å; L194-N214 HydrophobicContact CB-CB 4.21Å; L194-N214 VanDerWaalsContact CB-OD1 3.28Å; L194-N214 WeakPolarHBondContact CB-OD1 3.39Å; L194-N214 VanDerWaalsContact CG-OD1 3.31Å; L194-N214 WeakPolarHBondContact CG-OD1 3.07Å; L194-N214 PolarHBondContact N-OD1 2.85Å; Y211-N214 PolarHBondContact O-ND2 3.04Å; D212-N214 PolarHBondContact O-N 3.26Å; D212-N214 PolarHBondContact O-ND2 3.29Å; N214-V216 HydrophobicContact CB-CG1 4.12Å; N214-V216 PolarHBondContact O-N 3.28Å |
| 215 | P | 93.5 | Very high | 89.8 | Confident | 86 Ų | 86 | 51 Ų | 51 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | trans | -75.9 | 49.2 | 178.3 | 34.6 | -38 | 0 | 0 | 0 | 112.5 | L194 | L194-P215 CarbonylContact O-C 3.5Å; L194-P215 VanDerWaalsContact O-CD 3.23Å; L194-P215 WeakPolarHBondContact O-CD 3.35Å; L194-P215 WeakPolarHBondContact O-CG 3.41Å | ||
| 216 | V | 91.6 | Very high | 89.6 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | trans | -88.4 | 147.6 | 179 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | L194 F197 Y211 N214 G218 | L194-V216 HydrophobicContact CB-CG1 4.46Å; L194-V216 WeakPolarHBondContact O-CG1 3.34Å; F197-V216 HydrophobicContact CD2-CG1 3.93Å; F197-V216 HydrophobicContact CE2-CB 4.23Å; F197-V216 HydrophobicContact CE2-CG1 3.41Å; F197-V216 VanDerWaalsContact CE2-CG1 3.41Å; F197-V216 HydrophobicContact CE2-CG2 4.21Å; F197-V216 HydrophobicContact CZ-CG1 4.12Å; Y211-V216 HydrophobicContact CD2-CG2 4.13Å; Y211-V216 HydrophobicContact CE2-CG2 4.08Å; N214-V216 HydrophobicContact CB-CG1 4.12Å; N214-V216 PolarHBondContact O-N 3.28Å; V216-G218 VanDerWaalsContact C-N 3.33Å | ||
| 217 | T | 84.3 | Confident | 89.2 | Confident | 149 Ų | 149 | 51.9 Ų | 51.9 | 91% | 0.914 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -86.6 | -4.6 | -179.1 | 53 | 0 | 0 | 0 | 0 | 113.7 | ||
| 218 | G | 83 | Confident | 89 | Confident | 31 Ų | 31 | 47.2 Ų | 47.2 | 32% | 0.32 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 177.7 | 172.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V216 | V216-G218 VanDerWaalsContact C-N 3.33Š|
| 219 | P | 85.8 | Confident | 88.7 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 26% | 0.26 | 27% | 0.273 | S | S | . | . | trans | -68.3 | 145.7 | -175.9 | 25.8 | -34.1 | 0 | 0 | 0 | 112.6 | Y211 R236 | Y211-P219 WeakPolarHBondContact OH-CB 3.36Å; P219-R236 HydrophobicContact CB-CB 4.49Å; P219-R236 HydrophobicContact CG-CB 4.21Å; P219-R236 HydrophobicContact CG-CG 4.46Å; P219-R236 PolarHBondContact O-NH1 2.92Å | ||
| 220 | P | 89.4 | Confident | 88 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | trans | -64.5 | 152.7 | 179 | 30.8 | -39.4 | 0 | 0 | 0 | 112.2 | F197 L200 F209 Y211 V222 L228 R236 | F197-P220 HydrophobicContact CB-CB 3.8Å; F197-P220 HydrophobicContact CD2-CB 3.81Å; F197-P220 HydrophobicContact CD2-CG 4.43Å; F197-P220 HydrophobicContact CG-CB 3.82Å; L200-P220 HydrophobicContact CD1-CB 4.09Å; F209-P220 HydrophobicContact CD1-CB 4.39Å; F209-P220 HydrophobicContact CD1-CG 3.78Å; F209-P220 HydrophobicContact CE1-CB 3.89Å; F209-P220 HydrophobicContact CE1-CG 3.59Å; Y211-P220 HydrophobicContact CD1-CG 3.83Å; Y211-P220 HydrophobicContact CE1-CG 3.77Å; Y211-P220 HydrophobicContact CG-CG 4.34Å; P220-V222 HydrophobicContact CB-CG1 4.45Å; P220-V222 HydrophobicContact CG-CG1 4.37Å; P220-V222 PolarHBondContact O-N 3.01Å; P220-L228 HydrophobicContact CG-CD2 3.66Å; P220-R236 VanDerWaalsContact O-CZ 3.26Å; P220-R236 PolarHBondContact O-NH1 3.45Å | ||
| 221 | R | 90.8 | Very high | 87 | Confident | 172 Ų | 172 | 55.2 Ų | 55.2 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | trans | -81.5 | 113.7 | 168.9 | -65.7 | -177.6 | -174.5 | -107.1 | -0.8 | 109.1 | L200 | L200-R221 VanDerWaalsContact CB-O 3.32Å; L200-R221 WeakPolarHBondContact CB-O 3.4Å; L200-R221 PolarHBondContact N-O 2.99Å | ||
| 222 | V | 89.8 | Confident | 85.9 | Confident | 10 Ų | 10 | 56.3 Ų | 56.3 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | trans | -130.8 | 164.3 | 178.3 | -67.4 | 0 | 0 | 0 | 0 | 109.8 | L200 F209 P220 V226 L228 | L200-V222 HydrophobicContact CB-CG1 3.91Å; L200-V222 HydrophobicContact CD1-CG1 3.82Å; L200-V222 HydrophobicContact CG-CG1 4.36Å; F209-V222 HydrophobicContact CD1-CG1 4.17Å; P220-V222 HydrophobicContact CB-CG1 4.45Å; P220-V222 HydrophobicContact CG-CG1 4.37Å; P220-V222 PolarHBondContact O-N 3.01Å; V222-V226 HydrophobicContact CB-CB 3.98Å; V222-V226 HydrophobicContact CB-CG1 4.21Å; V222-V226 HydrophobicContact CB-CG2 4.04Å; V222-V226 HydrophobicContact CG1-CG1 4.33Å; V222-V226 HydrophobicContact CG2-CB 3.93Å; V222-V226 HydrophobicContact CG2-CG1 4.23Å; V222-V226 HydrophobicContact CG2-CG2 4.49Å; V222-L228 HydrophobicContact CB-CD2 4.45Å; V222-L228 HydrophobicContact CG1-CD2 3.88Å; V222-L228 HydrophobicContact CG2-CD1 3.67Å; V222-L228 HydrophobicContact CG2-CD2 3.74Å; V222-L228 HydrophobicContact CG2-CG 3.75Å | ||
| 223 | A | 86.8 | Confident | 85.2 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | trans | -64.1 | 153.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T225 V226 | A223-T225 PolarHBondContact O-N 3.08Å; A223-T225 VanDerWaalsContact O-N 3.13Å; A223-V226 HydrophobicContact CB-CG2 4.21Å; A223-V226 WeakPolarHBondContact O-CB 3.29Å; A223-V226 WeakPolarHBondContact O-CG2 3.37Å; A223-V226 PolarHBondContact O-N 3.38Å | ||
| 224 | D | 83 | Confident | 84 | Confident | 91 Ų | 91 | 54.7 Ų | 54.7 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.9 | -177.4 | -75.5 | -32.5 | 0 | 0 | 0 | 114 | V226 R240 | D224-V226 PolarHBondContact O-N 2.96Å; D224-R240 PolarHBondContact O-NH1 2.78Å; D224-R240 PolarHBondContact O-NH2 3.04Å; D224-R240 IonicContact OD1-CZ 3.87Å; D224-R240 IonicContact OD1-NE 3.61Å; D224-R240 PolarHBondContact OD1-NE 3.17Å; D224-R240 IonicContact OD1-NH2 3.56Å; D224-R240 PolarHBondContact OD1-NH2 3.11Å |
| 225 | T | 83.9 | Confident | 82.9 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -7.8 | 179.6 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | A223 | A223-T225 PolarHBondContact O-N 3.08Å; A223-T225 VanDerWaalsContact O-N 3.13Å |
| 226 | V | 87.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | trans | -84.6 | 126.9 | -175.3 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | L206 F209 V222 A223 D224 L228 | L206-V226 HydrophobicContact CB-CG2 4.14Å; L206-V226 HydrophobicContact CD2-CG1 4.16Å; L206-V226 HydrophobicContact CD2-CG2 4.38Å; L206-V226 HydrophobicContact CG-CG1 4.23Å; L206-V226 HydrophobicContact CG-CG2 4.35Å; L206-V226 WeakPolarHBondContact O-CG2 3.25Å; F209-V226 HydrophobicContact CB-CG1 3.93Å; V222-V226 HydrophobicContact CB-CB 3.98Å; V222-V226 HydrophobicContact CB-CG1 4.21Å; V222-V226 HydrophobicContact CB-CG2 4.04Å; V222-V226 HydrophobicContact CG1-CG1 4.33Å; V222-V226 HydrophobicContact CG2-CB 3.93Å; V222-V226 HydrophobicContact CG2-CG1 4.23Å; V222-V226 HydrophobicContact CG2-CG2 4.49Å; A223-V226 HydrophobicContact CB-CG2 4.21Å; A223-V226 WeakPolarHBondContact O-CB 3.29Å; A223-V226 WeakPolarHBondContact O-CG2 3.37Å; A223-V226 PolarHBondContact O-N 3.38Å; D224-V226 PolarHBondContact O-N 2.96Å; V226-L228 HydrophobicContact CG1-CD2 4.45Å; V226-L228 PolarHBondContact O-N 3.46Å | ||
| 227 | F | 86.3 | Confident | 80.8 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 20% | 0.197 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 107.9 | 166.2 | -169.6 | -99.2 | 0 | 0 | 0 | 109.8 | R207 V208 F209 V229 M237 R251 | R207-F227 WeakPolarHBondContact O-CB 3.44Å; R207-F227 PolarHBondContact O-N 2.99Å; V208-F227 WeakPolarHBondContact CA-O 3.27Å; F209-F227 PolarHBondContact N-O 3.32Å; F227-V229 HydrophobicContact CD1-CG2 3.8Å; F227-V229 HydrophobicContact CE1-CG2 3.51Å; F227-M237 HydrophobicContact CD2-CE 3.76Å; F227-M237 HydrophobicContact CD2-SD 4.32Å; F227-M237 HydrophobicContact CE2-CE 4Å; F227-M237 HydrophobicContact CE2-SD 4.17Å; F227-M237 HydrophobicContact CG-CE 4.14Å; F227-R251 HydrophobicContact CE2-CG 3.94Å; F227-R251 HydrophobicContact CZ-CG 4.08Å |
| 228 | L | 85.9 | Confident | 79.8 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 137.9 | 174.8 | -69.1 | 171.7 | 0 | 0 | 0 | 112.4 | F209 Y211 P220 V222 V226 A233 M237 | F209-L228 HydrophobicContact CB-CD2 4.13Å; F209-L228 HydrophobicContact CD1-CD2 3.74Å; F209-L228 HydrophobicContact CG-CD2 4.4Å; F209-L228 CarbonylContact O-C 3.39Å; F209-L228 WeakPolarHBondContact O-CA 3.39Å; Y211-L228 HydrophobicContact CD1-CD2 4.3Å; Y211-L228 HydrophobicContact CE1-CB 4.36Å; Y211-L228 HydrophobicContact CE1-CD2 4.06Å; P220-L228 HydrophobicContact CG-CD2 3.66Å; V222-L228 HydrophobicContact CB-CD2 4.45Å; V222-L228 HydrophobicContact CG1-CD2 3.88Å; V222-L228 HydrophobicContact CG2-CD1 3.67Å; V222-L228 HydrophobicContact CG2-CD2 3.74Å; V222-L228 HydrophobicContact CG2-CG 3.75Å; V226-L228 HydrophobicContact CG1-CD2 4.45Å; V226-L228 PolarHBondContact O-N 3.46Å; L228-A233 HydrophobicContact CB-CB 3.81Å; L228-M237 HydrophobicContact CB-CE 3.72Å; L228-M237 WeakPolarHBondContact O-CE 3.14Å |
| 229 | V | 84.4 | Confident | 79.1 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 115.4 | 170.2 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | F209 S210 Y211 F227 | F209-V229 PolarHBondContact O-N 2.94Å; S210-V229 WeakPolarHBondContact CA-O 3.01Å; Y211-V229 WeakPolarHBondContact CD1-O 3.16Å; Y211-V229 PolarHBondContact N-O 3.02Å; F227-V229 HydrophobicContact CD1-CG2 3.8Å; F227-V229 HydrophobicContact CE1-CG2 3.51Å |
| 230 | G | 79.1 | Confident | 78.3 | Confident | 14 Ų | 14 | 61 Ų | 61 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 158.9 | 175.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G232 A233 | G230-G232 PolarHBondContact O-N 3.14Å; G230-A233 WeakPolarHBondContact O-CB 3.38Å; G230-A233 PolarHBondContact O-N 3.37Å |
| 231 | E | 73.3 | Confident | 76.8 | Confident | 143 Ų | 143 | 64.7 Ų | 64.7 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128.3 | 176.5 | -164.3 | 178.1 | -176.7 | 0 | 0 | 111.6 | Y211 D212 A233 | Y211-E231 PolarHBondContact OH-O 3.08Å; D212-E231 PolarHBondContact OD1-N 2.95Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 3.16Å |
| 232 | G | 70.1 | Confident | 75 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -1.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G230 E235 R236 | G230-G232 PolarHBondContact O-N 3.14Å; G232-E235 VanDerWaalsContact C-OE2 3.31Å; G232-E235 WeakPolarHBondContact CA-OE2 3.44Å; G232-R236 WeakPolarHBondContact O-CB 3.18Å; G232-R236 PolarHBondContact O-N 2.97Å |
| 233 | A | 74.1 | Confident | 73.1 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -72.4 | -33.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L228 G230 E231 M237 | L228-A233 HydrophobicContact CB-CB 3.81Å; G230-A233 WeakPolarHBondContact O-CB 3.38Å; G230-A233 PolarHBondContact O-N 3.37Å; E231-A233 VanDerWaalsContact C-N 3.29Å; E231-A233 PolarHBondContact O-N 3.16Å; A233-M237 WeakPolarHBondContact O-CB 3.25Å; A233-M237 VanDerWaalsContact O-CG 3.23Å; A233-M237 WeakPolarHBondContact O-CG 3.4Å; A233-M237 PolarHBondContact O-N 3.23Å |
| 234 | V | 68 | Low | 71.4 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 67% | 0.673 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68 | -47.5 | -178.2 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | R236 M237 A238 | V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 3.41Å; V234-M237 PolarHBondContact O-N 3.07Å; V234-A238 VanDerWaalsContact O-CB 3.31Å; V234-A238 WeakPolarHBondContact O-CB 3.3Å; V234-A238 PolarHBondContact O-N 3.32Å |
| 235 | E | 70.6 | Confident | 69.8 | Low | 115 Ų | 115 | 77.5 Ų | 77.5 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 177.6 | -61.7 | 78.2 | -172.8 | 0 | 0 | 110.3 | G232 M237 A238 E239 | G232-E235 VanDerWaalsContact C-OE2 3.31Å; G232-E235 WeakPolarHBondContact CA-OE2 3.44Å; E235-M237 VanDerWaalsContact C-N 3.34Å; E235-M237 PolarHBondContact O-N 2.97Å; E235-A238 PolarHBondContact O-N 3.45Å; E235-E239 WeakPolarHBondContact O-CG 3.36Å; E235-E239 PolarHBondContact O-N 3.24Å |
| 236 | R | 70.3 | Confident | 68.1 | Low | 65 Ų | 65 | 82 Ų | 82 | 25% | 0.245 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 178.1 | -171.4 | 178.6 | -173.3 | 112.4 | 6.9 | 113.2 | P219 P220 G232 V234 R240 | P219-R236 HydrophobicContact CB-CB 4.49Å; P219-R236 HydrophobicContact CG-CB 4.21Å; P219-R236 HydrophobicContact CG-CG 4.46Å; P219-R236 PolarHBondContact O-NH1 2.92Å; P220-R236 VanDerWaalsContact O-CZ 3.26Å; P220-R236 PolarHBondContact O-NH1 3.45Å; G232-R236 WeakPolarHBondContact O-CB 3.18Å; G232-R236 PolarHBondContact O-N 2.97Å; V234-R236 VanDerWaalsContact C-N 3.34Å; V234-R236 PolarHBondContact O-N 3.41Å; R236-R240 WeakPolarHBondContact O-CD 3.48Å; R236-R240 WeakPolarHBondContact O-CG 3.27Å; R236-R240 PolarHBondContact O-N 2.89Å |
| 237 | M | 69.6 | Low | 66.1 | Low | 30 Ų | 30 | 87.2 Ų | 87.2 | 15% | 0.148 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -70.6 | -41.4 | 173.1 | -76 | -174.2 | -173.4 | 0 | 0 | 111.2 | F227 L228 A233 V234 E235 E239 R240 D241 | F227-M237 HydrophobicContact CD2-CE 3.76Å; F227-M237 HydrophobicContact CD2-SD 4.32Å; F227-M237 HydrophobicContact CE2-CE 4Å; F227-M237 HydrophobicContact CE2-SD 4.17Å; F227-M237 HydrophobicContact CG-CE 4.14Å; L228-M237 HydrophobicContact CB-CE 3.72Å; L228-M237 WeakPolarHBondContact O-CE 3.14Å; A233-M237 WeakPolarHBondContact O-CB 3.25Å; A233-M237 VanDerWaalsContact O-CG 3.23Å; A233-M237 WeakPolarHBondContact O-CG 3.4Å; A233-M237 PolarHBondContact O-N 3.23Å; V234-M237 PolarHBondContact O-N 3.07Å; E235-M237 VanDerWaalsContact C-N 3.34Å; E235-M237 PolarHBondContact O-N 2.97Å; M237-E239 PolarHBondContact O-N 2.89Å; M237-R240 WeakPolarHBondContact O-CA 3.43Å; M237-R240 WeakPolarHBondContact O-CB 3.34Å; M237-R240 PolarHBondContact O-N 3.28Å; M237-D241 PolarHBondContact O-N 3.36Å; M237-D241 VanDerWaalsContact O-N 3.1Å |
| 238 | A | 65.1 | Low | 64.2 | Low | 58 Ų | 58 | 88.6 Ų | 88.6 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V234 E235 R240 D241 E242 | V234-A238 VanDerWaalsContact O-CB 3.31Å; V234-A238 WeakPolarHBondContact O-CB 3.3Å; V234-A238 PolarHBondContact O-N 3.32Å; E235-A238 PolarHBondContact O-N 3.45Å; A238-R240 PolarHBondContact O-N 3.48Å; A238-D241 PolarHBondContact O-N 2.89Å; A238-D241 VanDerWaalsContact O-N 3.15Å; A238-E242 PolarHBondContact O-N 3.33Å |
| 239 | E | 67 | Low | 62.6 | Low | 142 Ų | 142 | 90.1 Ų | 90.1 | 66% | 0.664 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.7 | -28.2 | 171.2 | -75.4 | 174.2 | -178 | 0 | 0 | 112.6 | E235 M237 | E235-E239 WeakPolarHBondContact O-CG 3.36Å; E235-E239 PolarHBondContact O-N 3.24Å; M237-E239 PolarHBondContact O-N 2.89Å |
| 240 | R | 69.4 | Low | 60.9 | Low | 59 Ų | 59 | 98.4 Ų | 98.4 | 22% | 0.223 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -83.5 | -24.1 | 178.3 | -65.3 | 164.9 | 75.3 | -117.8 | -56.1 | 112.6 | D224 R236 M237 A238 | D224-R240 PolarHBondContact O-NH1 2.78Å; D224-R240 PolarHBondContact O-NH2 3.04Å; D224-R240 IonicContact OD1-CZ 3.87Å; D224-R240 IonicContact OD1-NE 3.61Å; D224-R240 PolarHBondContact OD1-NE 3.17Å; D224-R240 IonicContact OD1-NH2 3.56Å; D224-R240 PolarHBondContact OD1-NH2 3.11Å; R236-R240 WeakPolarHBondContact O-CD 3.48Å; R236-R240 WeakPolarHBondContact O-CG 3.27Å; R236-R240 PolarHBondContact O-N 2.89Å; M237-R240 WeakPolarHBondContact O-CA 3.43Å; M237-R240 WeakPolarHBondContact O-CB 3.34Å; M237-R240 PolarHBondContact O-N 3.28Å; A238-R240 PolarHBondContact O-N 3.48Å |
| 241 | D | 57.2 | Low | 59.2 | Low | 81 Ų | 81 | 105 Ų | 105 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -89.5 | -1 | 179.9 | -68.3 | -20.2 | 0 | 0 | 0 | 112.8 | M237 A238 P248 | M237-D241 PolarHBondContact O-N 3.36Å; M237-D241 VanDerWaalsContact O-N 3.1Å; A238-D241 PolarHBondContact O-N 2.89Å; A238-D241 VanDerWaalsContact O-N 3.15Å; D241-P248 WeakPolarHBondContact OD1-CB 3.3Å |
| 242 | E | 54.4 | Low | 57.7 | Low | 141 Ų | 141 | 101.6 Ų | 101.6 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -56.2 | 143.9 | 165.3 | -112.8 | -168.2 | 159.4 | 0 | 0 | 110.5 | A238 T244 | A238-E242 PolarHBondContact O-N 3.33Å; E242-T244 VanDerWaalsContact C-N 3.34Å; E242-T244 PolarHBondContact O-N 3.22Å; E242-T244 PolarHBondContact O-OG1 2.65Å |
| 243 | P | 49.3 | Very low | 56 | Low | 125 Ų | 125 | 104.5 Ų | 104.5 | 81% | 0.812 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -69.8 | 83 | -150.5 | 29.4 | -35.5 | 0 | 0 | 0 | 113 | ||
| 244 | T | 51.7 | Low | 54.3 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -122.7 | 54.7 | 172.3 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | E242 R246 | E242-T244 VanDerWaalsContact C-N 3.34Å; E242-T244 PolarHBondContact O-N 3.22Å; E242-T244 PolarHBondContact O-OG1 2.65Å; T244-R246 PolarHBondContact O-N 2.86Å |
| 245 | H | 48 | Very low | 52.7 | Low | 202 Ų | 202 | 112.9 Ų | 112.9 | 94% | 0.935 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 49.3 | 8.8 | 162.9 | -86.5 | 38.4 | 0 | 0 | 0 | 118.1 | ||
| 246 | R | 49.6 | Very low | 51.2 | Low | 195 Ų | 195 | 111 Ų | 111 | 74% | 0.736 | 56% | 0.558 | S | S | * | * | trans | -108.6 | 128.5 | -178.3 | -76.2 | -176.5 | 177.1 | -175.4 | 1 | 108.6 | T244 | T244-R246 PolarHBondContact O-N 2.86Š| ||
| 247 | P | 43.8 | Very low | 49.6 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | trans | -64 | 141 | 176.9 | 25.9 | -32 | 0 | 0 | 0 | 109.8 | ||||
| 248 | P | 48.3 | Very low | 48.1 | Very low | 74 Ų | 74 | 121.4 Ų | 121.4 | 48% | 0.481 | 61% | 0.612 | S | S | . | * | trans | -56.9 | 146.3 | 175.5 | 21.9 | -32.7 | 0 | 0 | 0 | 110.3 | D241 R250 | D241-P248 WeakPolarHBondContact OD1-CB 3.3Å; P248-R250 PolarHBondContact O-N 2.95Å | ||
| 249 | P | 51.7 | Low | 47.2 | Very low | 38 Ų | 38 | 127 Ų | 127 | 25% | 0.247 | 63% | 0.629 | C | S | . | * | trans | -58.3 | 113.7 | 173.7 | 24 | -31.2 | 0 | 0 | 0 | 108.6 | R251 | P249-R251 PolarHBondContact O-N 2.88Š| ||
| 250 | R | 48.3 | Very low | 46.1 | Very low | 231 Ų | 231 | 125.9 Ų | 125.9 | 87% | 0.872 | 62% | 0.624 | S | S | * | * | trans | -61.5 | 134 | 179.6 | -69.2 | -175.5 | 175.5 | -173.7 | -1.4 | 108.5 | P248 | P248-R250 PolarHBondContact O-N 2.95Š| ||
| 251 | R | 43.9 | Very low | 45.2 | Very low | 153 Ų | 153 | 125.1 Ų | 125.1 | 58% | 0.577 | 62% | 0.623 | S | S | * | * | trans | -46.1 | 138.1 | 158.4 | -74.8 | -177.4 | 175.3 | -168.8 | -2.6 | 106.9 | F227 P249 A253 | F227-R251 HydrophobicContact CE2-CG 3.94Å; F227-R251 HydrophobicContact CZ-CG 4.08Å; P249-R251 PolarHBondContact O-N 2.88Å; R251-A253 PolarHBondContact O-N 2.91Å | ||
| 252 | P | 40.4 | Very low | 44.8 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 47% | 0.468 | 63% | 0.626 | S | S | . | * | trans | -67.2 | 80.1 | 173 | 28.1 | -32 | 0 | 0 | 0 | 108.4 | V208 | V208-P252 HydrophobicContact CG2-CG 4.48Š| ||
| 253 | A | 36.2 | Very low | 44.4 | Very low | 84 Ų | 84 | 120 Ų | 120 | 69% | 0.694 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -96 | 92.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 104.6 | R251 | R251-A253 PolarHBondContact O-N 2.91Š|
| 254 | R | 37.7 | Very low | 44.4 | Very low | 235 Ų | 235 | 115.2 Ų | 115.2 | 89% | 0.887 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 61.7 | 67 | 171.7 | -54.8 | 176.3 | 175.7 | 179.6 | -3.2 | 114.7 | ||
| 255 | A | 34.3 | Very low | 43.9 | Very low | 57 Ų | 57 | 114.8 Ų | 114.8 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | trans | -111.8 | 3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 256 | F | 39.6 | Very low | 43.8 | Very low | 75 Ų | 75 | 107.3 Ų | 107.3 | 33% | 0.329 | 52% | 0.523 | S | S | . | . | trans | -139.8 | 97.4 | -176.4 | -51.3 | -65.9 | 0 | 0 | 0 | 110.5 | D258 E261 | F256-D258 PolarHBondContact O-N 3.05Å; F256-D258 VanDerWaalsContact O-N 3.15Å; F256-E261 HydrophobicContact CB-CB 4.12Å; F256-E261 HydrophobicContact CB-CG 3.79Å; F256-E261 HydrophobicContact CD2-CG 4.44Å; F256-E261 WeakPolarHBondContact CD2-OE1 3.42Å; F256-E261 VanDerWaalsContact O-CD 3.25Å | ||
| 257 | E | 36.4 | Very low | 43.2 | Very low | 193 Ų | 193 | 99.3 Ų | 99.3 | 90% | 0.902 | 50% | 0.502 | S | S | * | . | trans | -78.6 | 12.4 | -168.9 | -64.7 | -179.6 | 150.2 | 0 | 0 | 115.5 | ||||
| 258 | D | 38.5 | Very low | 42.7 | Very low | 120 Ų | 120 | 96.7 Ų | 96.7 | 64% | 0.642 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -115.5 | 157.4 | -170.7 | -66.2 | -40.6 | 0 | 0 | 0 | 113.8 | F256 E260 E261 | F256-D258 PolarHBondContact O-N 3.05Å; F256-D258 VanDerWaalsContact O-N 3.15Å; D258-E260 PolarHBondContact O-N 3.18Å; D258-E261 WeakPolarHBondContact O-CB 3.13Å; D258-E261 PolarHBondContact O-N 2.9Å |
| 259 | E | 44.6 | Very low | 41.8 | Very low | 177 Ų | 177 | 97 Ų | 97 | 83% | 0.827 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -19.2 | 176.6 | -66.5 | -177.2 | 165.1 | 0 | 0 | 114.2 | E261 | E259-E261 VanDerWaalsContact C-N 3.27Å; E259-E261 PolarHBondContact O-N 3.32Å |
| 260 | E | 44.7 | Very low | 40.8 | Very low | 118 Ų | 118 | 97.8 Ų | 97.8 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -23.4 | 172.3 | -63.1 | -165.2 | 150.5 | 0 | 0 | 113.6 | D258 | D258-E260 PolarHBondContact O-N 3.18Å |
| 261 | E | 49.9 | Very low | 39.9 | Very low | 43 Ų | 43 | 92.6 Ų | 92.6 | 20% | 0.201 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -75.4 | -33.9 | -179.5 | -153.3 | -169 | -159.5 | 0 | 0 | 111.7 | F256 D258 E259 D263 L264 L265 | F256-E261 HydrophobicContact CB-CB 4.12Å; F256-E261 HydrophobicContact CB-CG 3.79Å; F256-E261 HydrophobicContact CD2-CG 4.44Å; F256-E261 WeakPolarHBondContact CD2-OE1 3.42Å; F256-E261 VanDerWaalsContact O-CD 3.25Å; D258-E261 WeakPolarHBondContact O-CB 3.13Å; D258-E261 PolarHBondContact O-N 2.9Å; E259-E261 VanDerWaalsContact C-N 3.27Å; E259-E261 PolarHBondContact O-N 3.32Å; E261-D263 VanDerWaalsContact C-N 3.34Å; E261-D263 PolarHBondContact O-N 2.78Å; E261-L264 CarbonylContact O-C 3.26Å; E261-L264 PolarHBondContact O-N 3.49Å; E261-L265 HydrophobicContact CB-CD1 4.34Å; E261-L265 HydrophobicContact CG-CD1 3.43Å; E261-L265 VanDerWaalsContact CG-CD1 3.43Å; E261-L265 HydrophobicContact CG-CG 3.75Å; E261-L265 WeakPolarHBondContact O-CB 3.23Å; E261-L265 WeakPolarHBondContact O-CG 3.28Å; E261-L265 PolarHBondContact O-N 3.35Å; E261-L265 WeakPolarHBondContact OE2-CD1 3.31Å |
| 262 | E | 48.8 | Very low | 39.2 | Very low | 108 Ų | 108 | 94.8 Ų | 94.8 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 179.6 | -151.2 | -166.1 | -175.4 | 0 | 0 | 110.3 | R94 L264 L265 I266 | R94-E262 IonicContact CZ-OE2 3.61Å; R94-E262 VanDerWaalsContact CZ-OE2 3.28Å; R94-E262 IonicContact NH1-OE1 3.28Å; R94-E262 IonicContact NH1-OE2 3.37Å; R94-E262 PolarHBondContact NH1-OE2 3.33Å; R94-E262 IonicContact NH2-OE2 2.76Å; R94-E262 PolarHBondContact NH2-OE2 2.86Å; E262-L264 PolarHBondContact O-N 2.86Å; E262-L264 VanDerWaalsContact O-N 3.15Å; E262-L265 PolarHBondContact O-N 3.01Å; E262-I266 HydrophobicContact CG-CD1 4.17Å; E262-I266 HydrophobicContact CG-CG1 4.38Å; E262-I266 WeakPolarHBondContact O-CD1 3.04Å; E262-I266 WeakPolarHBondContact O-CG1 3.23Å; E262-I266 PolarHBondContact O-N 3.43Å |
| 263 | D | 46.5 | Very low | 38.5 | Very low | 6 Ų | 6 | 95.4 Ų | 95.4 | 3% | 0.032 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -62 | -24.8 | 176.2 | -77.5 | -34.2 | 0 | 0 | 0 | 113.2 | R94 C117 S140 E261 | R94-D263 IonicContact CZ-OD1 3.34Å; R94-D263 IonicContact NE-OD1 3.3Å; R94-D263 PolarHBondContact NE-OD1 3.4Å; R94-D263 IonicContact NH2-OD1 3.86Å; R94-D263 PolarHBondContact NH2-OD1 3.21Å; R94-D263 VanDerWaalsContact NH2-OD1 3.11Å; R94-D263 IonicContact NH2-OD2 3.07Å; C117-D263 HydrophobicContact CB-CB 4.37Å; S140-D263 WeakPolarHBondContact CB-O 3.39Å; S140-D263 PolarHBondContact OG-O 3Å; E261-D263 VanDerWaalsContact C-N 3.34Å; E261-D263 PolarHBondContact O-N 2.78Å |
| 264 | L | 48.5 | Very low | 38.2 | Very low | 24 Ų | 24 | 99.9 Ų | 99.9 | 13% | 0.126 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -95.2 | -27.6 | -179.7 | -66.3 | 169.8 | 0 | 0 | 0 | 114.3 | R162 W165 E261 E262 | R162-L264 HydrophobicContact CB-CD1 4.11Å; R162-L264 HydrophobicContact CB-CD2 3.76Å; W165-L264 HydrophobicContact CH2-CD2 4.5Å; W165-L264 WeakPolarHBondContact CH2-O 3.43Å; W165-L264 WeakPolarHBondContact CZ2-O 3.26Å; E261-L264 CarbonylContact O-C 3.26Å; E261-L264 PolarHBondContact O-N 3.49Å; E262-L264 PolarHBondContact O-N 2.86Å; E262-L264 VanDerWaalsContact O-N 3.15Å |
| 265 | L | 41.6 | Very low | 37.8 | Very low | 93 Ų | 93 | 92.7 Ų | 92.7 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -91.5 | -21.6 | -174.1 | -79.6 | 175.9 | 0 | 0 | 0 | 114.9 | E261 E262 G267 G268 | E261-L265 HydrophobicContact CB-CD1 4.34Å; E261-L265 HydrophobicContact CG-CD1 3.43Å; E261-L265 VanDerWaalsContact CG-CD1 3.43Å; E261-L265 HydrophobicContact CG-CG 3.75Å; E261-L265 WeakPolarHBondContact O-CB 3.23Å; E261-L265 WeakPolarHBondContact O-CG 3.28Å; E261-L265 PolarHBondContact O-N 3.35Å; E261-L265 WeakPolarHBondContact OE2-CD1 3.31Å; E262-L265 PolarHBondContact O-N 3.01Å; L265-G267 PolarHBondContact O-N 2.87Å; L265-G268 PolarHBondContact O-N 2.94Å |
| 266 | I | 46.6 | Very low | 37.3 | Very low | 45 Ų | 45 | 94.7 Ų | 94.7 | 23% | 0.231 | 56% | 0.564 | C | S | . | * | G | 310 helix | trans | -59.1 | -23.4 | -175.2 | -60.7 | 158.1 | 0 | 0 | 0 | 110.1 | Y96 W119 E262 G268 A269 | Y96-I266 WeakPolarHBondContact OH-CD1 3.21Å; W119-I266 VanDerWaalsContact CH2-C 3.43Å; W119-I266 HydrophobicContact CH2-CB 3.94Å; W119-I266 HydrophobicContact CH2-CG2 3.14Å; W119-I266 WeakPolarHBondContact CH2-O 3.2Å; W119-I266 HydrophobicContact CZ2-CB 3.46Å; W119-I266 VanDerWaalsContact CZ2-CB 3.46Å; W119-I266 HydrophobicContact CZ2-CG2 3.15Å; W119-I266 WeakPolarHBondContact CZ2-O 3.45Å; W119-I266 HydrophobicContact CZ3-CG2 4.19Å; E262-I266 HydrophobicContact CG-CD1 4.17Å; E262-I266 HydrophobicContact CG-CG1 4.38Å; E262-I266 WeakPolarHBondContact O-CD1 3.04Å; E262-I266 WeakPolarHBondContact O-CG1 3.23Å; E262-I266 PolarHBondContact O-N 3.43Å; I266-G268 PolarHBondContact O-N 2.86Å; I266-A269 PolarHBondContact O-N 3.21Å |
| 267 | G | 37.2 | Very low | 36.7 | Very low | 28 Ų | 28 | 97.1 Ų | 97.1 | 29% | 0.289 | 59% | 0.587 | S | S | . | * | G | 310 helix | trans | -61.2 | -8.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | L265 | L265-G267 PolarHBondContact O-N 2.87Š|
| 268 | G | 32.5 | Very low | 36.7 | Very low | 57 Ų | 57 | 98 Ų | 98 | 59% | 0.588 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -107.2 | -14.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116 | L265 I266 | L265-G268 PolarHBondContact O-N 2.94Å; I266-G268 PolarHBondContact O-N 2.86Å |
| 269 | A | 29.2 | Very low | 36.5 | Very low | 81 Ų | 81 | 94.8 Ų | 94.8 | 67% | 0.669 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 1.7 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | I266 | I266-A269 PolarHBondContact O-N 3.21Š|
| 270 | G | 30.5 | Very low | 35.8 | Very low | 53 Ų | 53 | 89.2 Ų | 89.2 | 55% | 0.546 | 56% | 0.558 | S | S | . | * | trans | -87 | 2.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | R272 | G270-R272 PolarHBondContact O-N 3.22Š| ||
| 271 | S | 31.1 | Very low | 35.3 | Very low | 122 Ų | 122 | 89.2 Ų | 89.2 | 85% | 0.853 | 56% | 0.561 | S | S | * | * | trans | -99.7 | 55.7 | 175.8 | -164 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 272 | R | 28.2 | Very low | 34.3 | Very low | 200 Ų | 200 | 95.1 Ų | 95.1 | 76% | 0.755 | 58% | 0.582 | S | S | * | * | trans | -118.4 | 57.9 | 167.2 | -82 | -171.5 | 173.2 | -179.4 | 3.8 | 111.2 | G270 E285 | G270-R272 PolarHBondContact O-N 3.22Å; R272-E285 IonicContact NH2-OE1 2.86Å; R272-E285 PolarHBondContact NH2-OE1 3.4Å; R272-E285 IonicContact NH2-OE2 4Å; R272-E285 PolarHBondContact NH2-OE2 3.38Å | ||
| 273 | A | 25.5 | Very low | 33.4 | Very low | 84 Ų | 84 | 94.4 Ų | 94.4 | 69% | 0.694 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -161.3 | 102.3 | 149 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 274 | L | 31.2 | Very low | 32.7 | Very low | 179 Ų | 179 | 100.1 Ų | 100.1 | 94% | 0.937 | 62% | 0.624 | S | S | * | * | trans | 70.1 | 88.2 | 144.4 | -55.7 | 168.7 | 0 | 0 | 0 | 120.1 | ||||
| 275 | G | 27.8 | Very low | 31.8 | Very low | 83 Ų | 83 | 105.9 Ų | 105.9 | 86% | 0.856 | 65% | 0.65 | S | S | * | * | 99.5 | 80.3 | 124.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 276 | A | 23.8 | Very low | 31.1 | Very low | 99 Ų | 99 | 106 Ų | 106 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 177.4 | 168.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 277 | P | 27.4 | Very low | 30.1 | Very low | 127 Ų | 127 | 108.2 Ų | 108.2 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | -68.7 | 147.5 | -122.8 | 35.9 | -22.8 | 0 | 0 | 0 | 115.7 | G279 | P277-G279 PolarHBondContact O-N 3.19Š| |||
| 278 | R | 37.1 | Very low | 29.7 | Very low | 211 Ų | 211 | 113 Ų | 113 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | trans | -61.6 | 120.6 | -179 | -66.6 | 169.2 | 166.5 | 170.9 | -3.7 | 111.9 | ||||
| 279 | G | 32.8 | Very low | 29.5 | Very low | 52 Ų | 52 | 114 Ų | 114 | 54% | 0.536 | 73% | 0.726 | S | S | . | * | trans | 158.6 | 89.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R191 P277 | R191-G279 PolarHBondContact NH2-O 2.8Å; P277-G279 PolarHBondContact O-N 3.19Å | ||
| 280 | S | 31.6 | Very low | 29.5 | Very low | 61 Ų | 61 | 118.8 Ų | 118.8 | 43% | 0.427 | 74% | 0.739 | S | S | . | * | S | Bend | trans | 169.2 | -8.7 | 145.7 | 57.9 | 0 | 0 | 0 | 0 | 114.2 | R191 | R191-S280 PolarHBondContact NH1-OG 3.25Å; R191-S280 PolarHBondContact NH2-OG 3.3Å |
| 281 | L | 32.6 | Very low | 29.4 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 61% | 0.613 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -128.6 | 6.7 | 176.5 | -82.9 | 163.2 | 0 | 0 | 0 | 114.6 | ||
| 282 | R | 30.3 | Very low | 29.4 | Very low | 168 Ų | 168 | 123.9 Ų | 123.9 | 63% | 0.634 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -87.5 | 1.8 | 178.1 | -93.2 | -168.9 | 175.3 | -151.9 | -5 | 115.7 | L284 | R282-L284 PolarHBondContact O-N 2.82Š|
| 283 | A | 30.2 | Very low | 29.5 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -79.8 | 5.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 284 | L | 32 | Very low | 29.7 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 67% | 0.665 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -104.5 | -4.5 | -179 | -98.6 | 132.5 | 0 | 0 | 0 | 115.1 | R282 | R282-L284 PolarHBondContact O-N 2.82Š|
| 285 | E | 27.8 | Very low | 29.6 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -124 | 12.3 | -176.1 | -76.9 | -169.4 | 148.7 | 0 | 0 | 115.6 | R272 | R272-E285 IonicContact NH2-OE1 2.86Å; R272-E285 PolarHBondContact NH2-OE1 3.4Å; R272-E285 IonicContact NH2-OE2 4Å; R272-E285 PolarHBondContact NH2-OE2 3.38Å |
| 286 | A | 27.9 | Very low | 29.7 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -137.6 | 87.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 287 | A | 25.2 | Very low | 30.1 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -157.3 | 127.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 288 | P | 29.1 | Very low | 30.2 | Very low | 127 Ų | 127 | 121.9 Ų | 121.9 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -70.5 | 141.7 | -176.1 | 28.5 | -32.1 | 0 | 0 | 0 | 111.2 | L290 | P288-L290 PolarHBondContact O-N 3.31Š| ||
| 289 | G | 28.1 | Very low | 29.8 | Very low | 78 Ų | 78 | 115.6 Ų | 115.6 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -62.1 | 128 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | G291 | G289-G291 PolarHBondContact O-N 3.49Š| ||
| 290 | L | 30 | Very low | 29.5 | Very low | 182 Ų | 182 | 120.5 Ų | 120.5 | 95% | 0.953 | 76% | 0.761 | S | S | * | * | trans | -68.4 | 110.2 | 157.7 | -79.7 | 158.2 | 0 | 0 | 0 | 107.5 | P288 | P288-L290 PolarHBondContact O-N 3.31Š| ||
| 291 | G | 27.6 | Very low | 29.3 | Very low | 63 Ų | 63 | 125.4 Ų | 125.4 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -126.7 | 118.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | G289 | G289-G291 PolarHBondContact O-N 3.49Š| ||
| 292 | T | 31.5 | Very low | 29 | Very low | 219 Ų | 219 | 126.2 Ų | 126.2 | 100% | 1.344 | 81% | 0.805 | S | S | * | * | trans | 69.1 | 0 | -175.1 | 71.1 | 0 | 0 | 0 | 0 | 117.2 |
Retrieved 292 of 292 residues in 164.3 ms
(Link to these results)