| 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 | 35.2 | Very low | 49 | Very low | 253 Ų | 253 | 135.9 Ų | 135.9 | 100% | 1.246 | 78% | 0.782 | S | S | * | * | 0 | 101.3 | 0 | -69.3 | -112.8 | -162.3 | 0 | 0 | 108 | |||||
| 2 | G | 40.7 | Very low | 52.6 | Low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | cis | -114.8 | 172.7 | -22.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | P | 49.6 | Very low | 55.8 | Low | 129 Ų | 129 | 121.7 Ų | 121.7 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | trans | -79.2 | 147 | -166.2 | 32.6 | -32.2 | 0 | 0 | 0 | 111.9 | A5 | P3-A5 PolarHBondContact O-N 3.22Š| ||
| 4 | Y | 35.8 | Very low | 58.8 | Low | 215 Ų | 215 | 113.3 Ų | 113.3 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | trans | -37.9 | 113.6 | 175.8 | -74.2 | -100.1 | 0 | 0 | 0 | 112.9 | E6 | Y4-E6 PolarHBondContact O-N 3.41Š| ||
| 5 | A | 38.5 | Very low | 61.3 | Low | 101 Ų | 101 | 106 Ų | 106 | 84% | 0.835 | 60% | 0.604 | S | S | * | * | trans | -69.3 | 88.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | P3 K7 | P3-A5 PolarHBondContact O-N 3.22Å; A5-K7 PolarHBondContact O-N 2.94Å | ||
| 6 | E | 41.9 | Very low | 63.4 | Low | 157 Ų | 157 | 102.6 Ų | 102.6 | 73% | 0.734 | 58% | 0.581 | S | S | * | * | trans | -52.3 | 122.4 | 173.2 | -76.3 | -74.8 | 157 | 0 | 0 | 110.1 | Y4 G8 | Y4-E6 PolarHBondContact O-N 3.41Å; E6-G8 PolarHBondContact O-N 3.43Å | ||
| 7 | K | 42 | Very low | 65.4 | Low | 211 Ų | 211 | 96.6 Ų | 96.6 | 92% | 0.917 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 127.2 | -174.9 | -74.7 | 171.5 | 174.1 | -179.4 | 0 | 111.3 | A5 | A5-K7 PolarHBondContact O-N 2.94Š|
| 8 | G | 48.4 | Very low | 67.2 | Low | 62 Ų | 62 | 91.2 Ų | 91.2 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 115.3 | -1.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | E6 G10 Q11 | E6-G8 PolarHBondContact O-N 3.43Å; G8-G10 VanDerWaalsContact C-N 3.29Å; G8-G10 PolarHBondContact O-N 3Å; G8-G10 VanDerWaalsContact O-N 3.11Å; G8-Q11 PolarHBondContact O-N 3.14Å |
| 9 | S | 56.9 | Low | 68.7 | Low | 69 Ų | 69 | 88 Ų | 88 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -62.1 | -24.6 | -168 | 64 | 0 | 0 | 0 | 0 | 116.2 | I12 R55 | S9-I12 WeakPolarHBondContact O-CG2 3.49Å; S9-R55 WeakPolarHBondContact O-CD 3.32Å |
| 10 | G | 64.8 | Low | 70.1 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -76.5 | -27.3 | -176 | 0 | 0 | 0 | 0 | 0 | 115.3 | G8 K56 | G8-G10 VanDerWaalsContact C-N 3.29Å; G8-G10 PolarHBondContact O-N 3Å; G8-G10 VanDerWaalsContact O-N 3.11Å; G10-K56 PolarHBondContact O-NZ 3.45Å |
| 11 | Q | 85.4 | Confident | 71.4 | Confident | 178 Ų | 178 | 84.1 Ų | 84.1 | 83% | 0.832 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -100.3 | 6.9 | -173.7 | -165.9 | 162.7 | -2.1 | 0 | 0 | 113.8 | G8 | G8-Q11 PolarHBondContact O-N 3.14Š|
| 12 | I | 92.2 | Very high | 74.4 | Confident | 22 Ų | 22 | 72.6 Ų | 72.6 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | trans | -61.5 | 141.1 | 175.4 | -167.5 | 170.1 | 0 | 0 | 0 | 111.4 | S9 Q16 F17 E20 W52 R55 K56 | S9-I12 WeakPolarHBondContact O-CG2 3.49Å; I12-Q16 HydrophobicContact CD1-CB 4.1Å; I12-Q16 HydrophobicContact CG1-CB 3.67Å; I12-F17 HydrophobicContact CD1-CB 3.95Å; I12-F17 HydrophobicContact CG1-CB 4.29Å; I12-E20 WeakPolarHBondContact CD1-OE2 3.38Å; I12-W52 HydrophobicContact CG2-CH2 4.42Å; I12-W52 HydrophobicContact CG2-CZ3 3.91Å; I12-W52 WeakPolarHBondContact O-CH2 3.33Å; I12-R55 HydrophobicContact CG2-CG 3.54Å; I12-K56 HydrophobicContact CG2-CD 4.37Å; I12-K56 PolarHBondContact O-NZ 2.78Å | ||
| 13 | Q | 94.4 | Very high | 77 | Confident | 65 Ų | 65 | 72.7 Ų | 72.7 | 30% | 0.304 | 40% | 0.404 | S | S | . | . | trans | -86.1 | 154.4 | 172 | -62.4 | -176.9 | 54.8 | 0 | 0 | 110.8 | W15 Q16 F17 | Q13-W15 VanDerWaalsContact C-N 3.31Å; Q13-W15 HydrophobicContact CB-CG 4.48Å; Q13-W15 VanDerWaalsContact CD-NE1 3.33Å; Q13-W15 PolarHBondContact O-N 3.2Å; Q13-Q16 HydrophobicContact CB-CG 4.32Å; Q13-Q16 WeakPolarHBondContact O-CB 3.48Å; Q13-Q16 PolarHBondContact O-N 2.87Å; Q13-Q16 VanDerWaalsContact O-N 3.12Å; Q13-F17 PolarHBondContact O-N 3.22Å | ||
| 14 | L | 96.9 | Very high | 79.2 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.6 | -40.6 | -177 | 176.1 | 61.6 | 0 | 0 | 0 | 112.3 | Q16 F17 L18 W52 L66 A69 L70 Y73 | L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.28Å; L14-F17 HydrophobicContact CD1-CD1 4.15Å; L14-F17 PolarHBondContact O-N 3.11Å; L14-L18 HydrophobicContact CD1-CD1 4.37Å; L14-L18 HydrophobicContact CD1-CD2 4.49Å; L14-L18 HydrophobicContact CD1-CG 4.14Å; L14-L18 HydrophobicContact CG-CD1 4.28Å; L14-L18 HydrophobicContact CG-CG 4.47Å; L14-L18 WeakPolarHBondContact O-CG 3.04Å; L14-L18 PolarHBondContact O-N 3.19Å; L14-W52 HydrophobicContact CB-CH2 4.12Å; L14-W52 HydrophobicContact CB-CZ2 3.92Å; L14-W52 HydrophobicContact CD1-CD2 3.85Å; L14-W52 HydrophobicContact CD1-CE3 4.23Å; L14-W52 HydrophobicContact CD1-CG 4.08Å; L14-W52 HydrophobicContact CD1-CZ2 4.36Å; L14-L66 HydrophobicContact CD1-CD1 4.2Å; L14-L66 HydrophobicContact CD1-CG 4.25Å; L14-L66 HydrophobicContact CD2-CG 4.24Å; L14-A69 HydrophobicContact CD2-CB 3.55Å; L14-L70 HydrophobicContact CD2-CD2 3.57Å; L14-L70 HydrophobicContact CD2-CG 4.08Å; L14-L70 HydrophobicContact CG-CD2 4.06Å; L14-Y73 HydrophobicContact CB-CE2 4.03Å; L14-Y73 HydrophobicContact CD2-CE2 4.27Å; L14-Y73 HydrophobicContact CG-CE2 4.26Å; L14-Y73 PolarHBondContact N-OH 2.93Å |
| 15 | W | 96.3 | Very high | 82 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.015 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 177.5 | 69.7 | -96.4 | 0 | 0 | 0 | 112.6 | Q13 L18 L19 Y73 I78 M79 F91 L96 A99 C100 | Q13-W15 VanDerWaalsContact C-N 3.31Å; Q13-W15 HydrophobicContact CB-CG 4.48Å; Q13-W15 VanDerWaalsContact CD-NE1 3.33Å; Q13-W15 PolarHBondContact O-N 3.2Å; W15-L18 PolarHBondContact O-N 3.05Å; W15-L19 HydrophobicContact CE3-CD1 3.83Å; W15-L19 HydrophobicContact CZ3-CD1 3.97Å; W15-L19 WeakPolarHBondContact O-CG 2.99Å; W15-L19 PolarHBondContact O-N 3.27Å; W15-L19 VanDerWaalsContact O-N 3.14Å; W15-Y73 HydrophobicContact CB-CE2 3.97Å; W15-Y73 AromaticContact CD1-CZ 3.8Å; W15-Y73 PolarHBondContact N-OH 3.28Å; W15-I78 HydrophobicContact CB-CG2 3.94Å; W15-I78 HydrophobicContact CG-CG2 4.19Å; W15-M79 HydrophobicContact CB-CE 4.28Å; W15-F91 HydrophobicContact CB-CE1 4.16Å; W15-L96 HydrophobicContact CD2-CD2 4.28Å; W15-L96 HydrophobicContact CE3-CD2 3.47Å; W15-L96 VanDerWaalsContact CE3-CD2 3.47Å; W15-L96 HydrophobicContact CZ3-CD2 3.71Å; W15-A99 HydrophobicContact CZ2-CB 4.14Å; W15-C100 HydrophobicContact CH2-CB 4.48Å |
| 16 | Q | 95.8 | Very high | 84.7 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 176.4 | -65.3 | 171.9 | -48.1 | 0 | 0 | 110.7 | I12 Q13 L14 L18 L19 E20 | I12-Q16 HydrophobicContact CD1-CB 4.1Å; I12-Q16 HydrophobicContact CG1-CB 3.67Å; Q13-Q16 HydrophobicContact CB-CG 4.32Å; Q13-Q16 WeakPolarHBondContact O-CB 3.48Å; Q13-Q16 PolarHBondContact O-N 2.87Å; Q13-Q16 VanDerWaalsContact O-N 3.12Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.28Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 2.67Å; Q16-L19 PolarHBondContact O-N 3.34Å; Q16-E20 WeakPolarHBondContact O-CB 3.4Å; Q16-E20 PolarHBondContact O-N 3.39Å |
| 17 | F | 97.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 177.3 | 170.6 | -103.5 | 0 | 0 | 0 | 112.3 | I12 Q13 L14 E20 L21 R51 W52 R55 | I12-F17 HydrophobicContact CD1-CB 3.95Å; I12-F17 HydrophobicContact CG1-CB 4.29Å; Q13-F17 PolarHBondContact O-N 3.22Å; L14-F17 HydrophobicContact CD1-CD1 4.15Å; L14-F17 PolarHBondContact O-N 3.11Å; F17-E20 WeakPolarHBondContact O-CB 3.48Å; F17-E20 PolarHBondContact O-N 2.86Å; F17-L21 HydrophobicContact CD1-CD1 4.28Å; F17-L21 HydrophobicContact CE1-CD1 3.57Å; F17-L21 HydrophobicContact CE1-CG 4.32Å; F17-L21 HydrophobicContact CE2-CD1 4.19Å; F17-L21 HydrophobicContact CE2-CD2 4.31Å; F17-L21 HydrophobicContact CE2-CG 4.22Å; F17-L21 HydrophobicContact CZ-CD1 3.53Å; F17-L21 HydrophobicContact CZ-CD2 4.34Å; F17-L21 HydrophobicContact CZ-CG 4.06Å; F17-L21 WeakPolarHBondContact O-CG 3.46Å; F17-L21 PolarHBondContact O-N 2.91Å; F17-R51 HydrophobicContact CZ-CB 3.85Å; F17-W52 HydrophobicContact CB-CE3 3.87Å; F17-W52 HydrophobicContact CB-CZ3 3.64Å; F17-W52 HydrophobicContact CD1-CB 4.25Å; F17-W52 HydrophobicContact CD1-CD2 4.23Å; F17-W52 AromaticContact CD1-CE3 3.52Å; F17-W52 HydrophobicContact CD1-CE3 3.52Å; F17-W52 HydrophobicContact CD1-CZ3 4.19Å; F17-W52 HydrophobicContact CD2-CE3 4.06Å; F17-W52 HydrophobicContact CD2-CZ3 4.41Å; F17-W52 HydrophobicContact CE1-CB 3.68Å; F17-W52 HydrophobicContact CE1-CE3 4.02Å; F17-W52 HydrophobicContact CE1-CG 4.42Å; F17-W52 HydrophobicContact CE2-CE3 4.49Å; F17-W52 AromaticContact CG-CE3 3.53Å; F17-W52 HydrophobicContact CG-CE3 3.53Å; F17-W52 AromaticContact CG-CZ3 3.83Å; F17-W52 HydrophobicContact CG-CZ3 3.83Å; F17-W52 HydrophobicContact CZ-CB 4.14Å; F17-W52 HydrophobicContact CZ-CE3 4.46Å; F17-R55 HydrophobicContact CD2-CB 4.36Å; F17-R55 HydrophobicContact CD2-CG 4.11Å; F17-R55 HydrophobicContact CE2-CB 4.15Å; F17-R55 HydrophobicContact CE2-CG 4.36Å |
| 18 | L | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | 177.2 | -69.2 | 175.9 | 0 | 0 | 0 | 112 | L14 W15 Q16 E20 L21 L22 I31 F40 L42 V48 L70 M79 F91 | L14-L18 HydrophobicContact CD1-CD1 4.37Å; L14-L18 HydrophobicContact CD1-CD2 4.49Å; L14-L18 HydrophobicContact CD1-CG 4.14Å; L14-L18 HydrophobicContact CG-CD1 4.28Å; L14-L18 HydrophobicContact CG-CG 4.47Å; L14-L18 WeakPolarHBondContact O-CG 3.04Å; L14-L18 PolarHBondContact O-N 3.19Å; W15-L18 PolarHBondContact O-N 3.05Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 2.67Å; L18-E20 VanDerWaalsContact C-N 3.31Å; L18-E20 PolarHBondContact O-N 3.04Å; L18-L21 PolarHBondContact O-N 3.28Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CD1 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.76Å; L18-I31 HydrophobicContact CD2-CD1 3.69Å; L18-F40 HydrophobicContact CD1-CE2 4.27Å; L18-F40 HydrophobicContact CD1-CZ 4.1Å; L18-L42 HydrophobicContact CD2-CD2 4.42Å; L18-V48 HydrophobicContact CD2-CG1 3.94Å; L18-L70 HydrophobicContact CD1-CD2 3.6Å; L18-M79 HydrophobicContact CD1-CE 4.14Å; L18-F91 HydrophobicContact CB-CZ 4.06Å |
| 19 | L | 96.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 175.1 | -71.8 | 176.2 | 0 | 0 | 0 | 112.3 | W15 Q16 L22 S23 W33 F91 L96 | W15-L19 HydrophobicContact CE3-CD1 3.83Å; W15-L19 HydrophobicContact CZ3-CD1 3.97Å; W15-L19 WeakPolarHBondContact O-CG 2.99Å; W15-L19 PolarHBondContact O-N 3.27Å; W15-L19 VanDerWaalsContact O-N 3.14Å; Q16-L19 PolarHBondContact O-N 3.34Å; L19-L22 PolarHBondContact O-N 2.89Å; L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.22Å; L19-W33 HydrophobicContact CD2-CH2 3.73Å; L19-W33 HydrophobicContact CD2-CZ2 3.98Å; L19-F91 HydrophobicContact CD2-CD2 3.87Å; L19-F91 HydrophobicContact CD2-CE1 4.34Å; L19-F91 HydrophobicContact CD2-CE2 3.55Å; L19-F91 HydrophobicContact CD2-CG 4.41Å; L19-F91 HydrophobicContact CD2-CZ 3.8Å; L19-F91 HydrophobicContact CG-CE1 4.22Å; L19-F91 HydrophobicContact CG-CE2 4.05Å; L19-F91 HydrophobicContact CG-CZ 3.77Å; L19-L96 HydrophobicContact CD1-CD2 3.85Å |
| 20 | E | 96.2 | Very high | 94.3 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 174.2 | -173.8 | -171.2 | 123.1 | 0 | 0 | 110.6 | I12 Q16 F17 L18 L22 S23 R55 | I12-E20 WeakPolarHBondContact CD1-OE2 3.38Å; Q16-E20 WeakPolarHBondContact O-CB 3.4Å; Q16-E20 PolarHBondContact O-N 3.39Å; F17-E20 WeakPolarHBondContact O-CB 3.48Å; F17-E20 PolarHBondContact O-N 2.86Å; L18-E20 VanDerWaalsContact C-N 3.31Å; L18-E20 PolarHBondContact O-N 3.04Å; E20-L22 PolarHBondContact O-N 2.94Å; E20-S23 PolarHBondContact O-N 3.28Å; E20-S23 PolarHBondContact O-OG 3.36Å; E20-R55 VanDerWaalsContact CD-NH1 3.34Å; E20-R55 IonicContact OE1-CZ 3.31Å; E20-R55 VanDerWaalsContact OE1-CZ 3.31Å; E20-R55 IonicContact OE1-NH1 2.97Å; E20-R55 PolarHBondContact OE1-NH1 2.89Å; E20-R55 IonicContact OE1-NH2 2.73Å; E20-R55 PolarHBondContact OE1-NH2 2.94Å; E20-R55 IonicContact OE2-CZ 3.98Å; E20-R55 IonicContact OE2-NH1 2.95Å; E20-R55 PolarHBondContact OE2-NH1 2.84Å |
| 21 | L | 97.5 | Very high | 95.9 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 177 | -64.8 | -178.7 | 0 | 0 | 0 | 112.1 | F17 L18 S23 D24 N27 F30 I31 | F17-L21 HydrophobicContact CD1-CD1 4.28Å; F17-L21 HydrophobicContact CE1-CD1 3.57Å; F17-L21 HydrophobicContact CE1-CG 4.32Å; F17-L21 HydrophobicContact CE2-CD1 4.19Å; F17-L21 HydrophobicContact CE2-CD2 4.31Å; F17-L21 HydrophobicContact CE2-CG 4.22Å; F17-L21 HydrophobicContact CZ-CD1 3.53Å; F17-L21 HydrophobicContact CZ-CD2 4.34Å; F17-L21 HydrophobicContact CZ-CG 4.06Å; F17-L21 WeakPolarHBondContact O-CG 3.46Å; F17-L21 PolarHBondContact O-N 2.91Å; L18-L21 PolarHBondContact O-N 3.28Å; L21-S23 PolarHBondContact O-N 2.88Å; L21-D24 PolarHBondContact O-N 2.87Å; L21-D24 VanDerWaalsContact O-O 3.14Å; L21-N27 PolarHBondContact O-ND2 3.45Å; L21-F30 HydrophobicContact CD1-CE2 4.2Å; L21-F30 HydrophobicContact CD2-CE2 4.31Å; L21-I31 HydrophobicContact CB-CG2 3.69Å; L21-I31 HydrophobicContact CD1-CG2 4.12Å |
| 22 | L | 97.5 | Very high | 96.5 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.2 | -17 | 179.6 | -79.1 | 166.7 | 0 | 0 | 0 | 113.9 | L18 L19 E20 D24 I31 W33 F40 F91 | L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.27Å; L18-L22 WeakPolarHBondContact O-CD1 3.38Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.76Å; L19-L22 PolarHBondContact O-N 2.89Å; E20-L22 PolarHBondContact O-N 2.94Å; L22-D24 VanDerWaalsContact C-N 3.31Å; L22-I31 HydrophobicContact CD1-CD1 4.2Å; L22-I31 HydrophobicContact CD2-CD1 4.21Å; L22-I31 HydrophobicContact CD2-CG1 3.74Å; L22-I31 HydrophobicContact CG-CD1 3.85Å; L22-I31 HydrophobicContact CG-CG1 3.95Å; L22-W33 HydrophobicContact CB-CD2 4.43Å; L22-W33 HydrophobicContact CB-CH2 4.48Å; L22-W33 HydrophobicContact CB-CZ2 3.65Å; L22-W33 HydrophobicContact CD1-CD2 4.36Å; L22-W33 HydrophobicContact CD1-CE3 4.34Å; L22-W33 HydrophobicContact CD1-CH2 3.76Å; L22-W33 HydrophobicContact CD1-CZ2 3.77Å; L22-W33 HydrophobicContact CD1-CZ3 4.04Å; L22-W33 HydrophobicContact CD2-CD2 3.95Å; L22-W33 HydrophobicContact CD2-CE3 4.46Å; L22-W33 HydrophobicContact CD2-CG 4.07Å; L22-W33 HydrophobicContact CG-CD2 4.49Å; L22-W33 HydrophobicContact CG-CZ2 4.19Å; L22-W33 PolarHBondContact O-NE1 3Å; L22-F40 HydrophobicContact CD1-CB 3.84Å; L22-F40 HydrophobicContact CD1-CD1 4.2Å; L22-F40 HydrophobicContact CD1-CD2 3.98Å; L22-F40 HydrophobicContact CD1-CG 3.75Å; L22-F40 HydrophobicContact CD2-CB 3.87Å; L22-F91 HydrophobicContact CD1-CE2 3.83Å |
| 23 | S | 95.3 | Very high | 96.7 | Very high | 72 Ų | 72 | 43 Ų | 43 | 50% | 0.503 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -16.1 | 178 | 74.6 | 0 | 0 | 0 | 0 | 113.6 | L19 E20 L21 | L19-S23 WeakPolarHBondContact O-CB 3.47Å; L19-S23 PolarHBondContact O-N 3.22Å; E20-S23 PolarHBondContact O-N 3.28Å; E20-S23 PolarHBondContact O-OG 3.36Å; L21-S23 PolarHBondContact O-N 2.88Å |
| 24 | D | 95.6 | Very high | 96.7 | Very high | 88 Ų | 88 | 43.4 Ų | 43.4 | 47% | 0.471 | 25% | 0.248 | S | C | . | . | trans | -117 | 115.1 | 177.4 | -178.6 | 2.5 | 0 | 0 | 0 | 110.5 | L21 L22 A26 N27 | L21-D24 PolarHBondContact O-N 2.87Å; L21-D24 VanDerWaalsContact O-O 3.14Å; L22-D24 VanDerWaalsContact C-N 3.31Å; D24-A26 PolarHBondContact O-N 3.04Å; D24-A26 VanDerWaalsContact O-N 3.15Å; D24-A26 VanDerWaalsContact OD1-CB 3.31Å; D24-A26 WeakPolarHBondContact OD1-CB 3.28Å; D24-A26 PolarHBondContact OD1-N 3.45Å; D24-N27 WeakPolarHBondContact O-CB 3.47Å; D24-N27 PolarHBondContact O-N 2.81Å; D24-N27 VanDerWaalsContact O-N 3.08Å; D24-N27 PolarHBondContact O-ND2 3.03Å | ||
| 25 | N | 94.2 | Very high | 96.3 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 74% | 0.743 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -65.1 | -15.6 | -179.2 | -170.7 | 70.5 | 0 | 0 | 0 | 113.2 | N27 A28 | N25-N27 PolarHBondContact O-N 3.26Å; N25-N27 VanDerWaalsContact O-N 3.14Å; N25-A28 WeakPolarHBondContact O-CB 3.05Å; N25-A28 PolarHBondContact O-N 3.5Å; N25-A28 VanDerWaalsContact O-N 3.09Å |
| 26 | A | 96.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 51.5 Ų | 51.5 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -60.7 | -20.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D24 A28 | D24-A26 PolarHBondContact O-N 3.04Å; D24-A26 VanDerWaalsContact O-N 3.15Å; D24-A26 VanDerWaalsContact OD1-CB 3.31Å; D24-A26 WeakPolarHBondContact OD1-CB 3.28Å; D24-A26 PolarHBondContact OD1-N 3.45Å; A26-A28 VanDerWaalsContact C-N 3.32Å |
| 27 | N | 97.3 | Very high | 95.5 | Very high | 20 Ų | 20 | 54.3 Ų | 54.3 | 11% | 0.107 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -85.9 | -0 | 178.4 | -58.9 | -42.7 | 0 | 0 | 0 | 113.8 | L21 D24 N25 S29 F30 I31 | L21-N27 PolarHBondContact O-ND2 3.45Å; D24-N27 WeakPolarHBondContact O-CB 3.47Å; D24-N27 PolarHBondContact O-N 2.81Å; D24-N27 VanDerWaalsContact O-N 3.08Å; D24-N27 PolarHBondContact O-ND2 3.03Å; N25-N27 PolarHBondContact O-N 3.26Å; N25-N27 VanDerWaalsContact O-N 3.14Å; N27-S29 PolarHBondContact O-N 3.03Å; N27-F30 HydrophobicContact CB-CE1 4.13Å; N27-F30 HydrophobicContact CB-CE2 3.69Å; N27-F30 HydrophobicContact CB-CZ 3.47Å; N27-F30 VanDerWaalsContact CB-CZ 3.47Å; N27-F30 PolarHBondContact O-N 3.38Å; N27-F30 WeakPolarHBondContact OD1-CZ 3.27Å; N27-I31 CarbonylContact C-O 3.36Å; N27-I31 HydrophobicContact CB-CG2 4.13Å; N27-I31 PolarHBondContact O-N 3.47Å; N27-I31 VanDerWaalsContact O-O 3.06Å |
| 28 | A | 97 | Very high | 95.3 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N25 A26 F30 I31 A32 I43 | N25-A28 WeakPolarHBondContact O-CB 3.05Å; N25-A28 PolarHBondContact O-N 3.5Å; N25-A28 VanDerWaalsContact O-N 3.09Å; A26-A28 VanDerWaalsContact C-N 3.32Å; A28-F30 VanDerWaalsContact C-N 3.32Å; A28-I31 WeakPolarHBondContact CA-O 3.26Å; A28-A32 HydrophobicContact CB-CB 4.32Å; A28-I43 WeakPolarHBondContact O-CD1 3.3Å |
| 29 | S | 97.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -22.1 | 172.2 | 53.5 | 0 | 0 | 0 | 0 | 113.4 | N27 I43 | N27-S29 PolarHBondContact O-N 3.03Å; S29-I43 VanDerWaalsContact O-CG2 3.32Å; S29-I43 WeakPolarHBondContact O-CG2 3.4Å |
| 30 | F | 98.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | -22.4 | -178.2 | 52.4 | -94.6 | 0 | 0 | 0 | 114.1 | L21 N27 A28 L42 I43 D44 E47 V48 R51 | L21-F30 HydrophobicContact CD1-CE2 4.2Å; L21-F30 HydrophobicContact CD2-CE2 4.31Å; N27-F30 HydrophobicContact CB-CE1 4.13Å; N27-F30 HydrophobicContact CB-CE2 3.69Å; N27-F30 HydrophobicContact CB-CZ 3.47Å; N27-F30 VanDerWaalsContact CB-CZ 3.47Å; N27-F30 PolarHBondContact O-N 3.38Å; N27-F30 WeakPolarHBondContact OD1-CZ 3.27Å; A28-F30 VanDerWaalsContact C-N 3.32Å; F30-L42 CarbonylContact O-C 3.53Å; F30-I43 PolarHBondContact O-N 3.35Å; F30-D44 HydrophobicContact CB-CB 3.79Å; F30-D44 PolarHBondContact O-N 3.3Å; F30-D44 VanDerWaalsContact O-N 3.11Å; F30-E47 HydrophobicContact CB-CB 3.98Å; F30-E47 HydrophobicContact CB-CG 3.83Å; F30-E47 HydrophobicContact CD1-CG 3.93Å; F30-E47 HydrophobicContact CD2-CG 4.34Å; F30-E47 HydrophobicContact CG-CB 4.45Å; F30-E47 HydrophobicContact CG-CG 3.79Å; F30-V48 HydrophobicContact CB-CG2 4.36Å; F30-V48 HydrophobicContact CD2-CG2 3.92Å; F30-V48 WeakPolarHBondContact O-CG2 3.09Å; F30-R51 VanDerWaalsContact CZ-CZ 3.49Å |
| 31 | I | 98.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 132.1 | 173.2 | -172.9 | 172.3 | 0 | 0 | 0 | 110.8 | L18 L21 L22 N27 A28 F40 K41 L42 V48 | L18-I31 HydrophobicContact CD2-CD1 3.69Å; L21-I31 HydrophobicContact CB-CG2 3.69Å; L21-I31 HydrophobicContact CD1-CG2 4.12Å; L22-I31 HydrophobicContact CD1-CD1 4.2Å; L22-I31 HydrophobicContact CD2-CD1 4.21Å; L22-I31 HydrophobicContact CD2-CG1 3.74Å; L22-I31 HydrophobicContact CG-CD1 3.85Å; L22-I31 HydrophobicContact CG-CG1 3.95Å; N27-I31 CarbonylContact C-O 3.36Å; N27-I31 HydrophobicContact CB-CG2 4.13Å; N27-I31 PolarHBondContact O-N 3.47Å; N27-I31 VanDerWaalsContact O-O 3.06Å; A28-I31 WeakPolarHBondContact CA-O 3.26Å; I31-F40 HydrophobicContact CD1-CD2 4.2Å; I31-F40 HydrophobicContact CD1-CE2 4.41Å; I31-F40 HydrophobicContact CG1-CD2 4.35Å; I31-K41 WeakPolarHBondContact CA-O 3.31Å; I31-L42 HydrophobicContact CD1-CD2 3.62Å; I31-L42 HydrophobicContact CG1-CD2 3.89Å; I31-V48 HydrophobicContact CB-CG2 3.96Å; I31-V48 HydrophobicContact CG2-CG2 4.5Å |
| 32 | A | 97.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 52.7 Ų | 52.7 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | A28 F40 K41 I43 | A28-A32 HydrophobicContact CB-CB 4.32Å; A32-F40 CarbonylContact O-C 3.44Å; A32-F40 VanDerWaalsContact O-CA 3.3Å; A32-F40 WeakPolarHBondContact O-CA 3.33Å; A32-F40 WeakPolarHBondContact O-CB 3.23Å; A32-K41 PolarHBondContact N-O 3.31Å; A32-K41 VanDerWaalsContact N-O 3.12Å; A32-K41 PolarHBondContact O-N 3.15Å; A32-I43 HydrophobicContact CB-CD1 3.69Å |
| 33 | W | 97.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 56.4 Ų | 56.4 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 133.2 | 162.5 | -63.5 | 110.3 | 0 | 0 | 0 | 109 | L19 L22 F40 F91 L136 | L19-W33 HydrophobicContact CD2-CH2 3.73Å; L19-W33 HydrophobicContact CD2-CZ2 3.98Å; L22-W33 HydrophobicContact CB-CD2 4.43Å; L22-W33 HydrophobicContact CB-CH2 4.48Å; L22-W33 HydrophobicContact CB-CZ2 3.65Å; L22-W33 HydrophobicContact CD1-CD2 4.36Å; L22-W33 HydrophobicContact CD1-CE3 4.34Å; L22-W33 HydrophobicContact CD1-CH2 3.76Å; L22-W33 HydrophobicContact CD1-CZ2 3.77Å; L22-W33 HydrophobicContact CD1-CZ3 4.04Å; L22-W33 HydrophobicContact CD2-CD2 3.95Å; L22-W33 HydrophobicContact CD2-CE3 4.46Å; L22-W33 HydrophobicContact CD2-CG 4.07Å; L22-W33 HydrophobicContact CG-CD2 4.49Å; L22-W33 HydrophobicContact CG-CZ2 4.19Å; L22-W33 PolarHBondContact O-NE1 3Å; W33-F40 HydrophobicContact CE3-CB 3.81Å; W33-F40 HydrophobicContact CZ3-CB 4.1Å; W33-F40 HydrophobicContact CZ3-CD1 4.28Å; W33-F91 AromaticContact CH2-CD2 3.73Å; W33-F91 HydrophobicContact CH2-CD2 3.73Å; W33-F91 HydrophobicContact CH2-CE2 4.09Å; W33-F91 AromaticContact CZ3-CD2 3.86Å; W33-F91 HydrophobicContact CZ3-CD2 3.86Å; W33-F91 HydrophobicContact CZ3-CE2 4.44Å; W33-L136 HydrophobicContact CZ2-CD2 4.05Å |
| 34 | E | 92.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 56.4 Ų | 56.4 | 34% | 0.341 | 32% | 0.322 | S | S | . | . | trans | -147.7 | 121.5 | -179.3 | -173.8 | -163.9 | -132.6 | 0 | 0 | 109 | E39 K41 | E34-E39 PolarHBondContact N-O 3.25Å; E34-E39 CarbonylContact O-C 3.58Å; E34-E39 WeakPolarHBondContact O-CB 3.28Å; E34-K41 HydrophobicContact CB-CB 4.2Å; E34-K41 IonicContact OE1-NZ 3.11Å; E34-K41 PolarHBondContact OE1-NZ 3.41Å; E34-K41 VanDerWaalsContact OE1-NZ 3.11Å; E34-K41 WeakPolarHBondContact OE2-CD 3.33Å; E34-K41 IonicContact OE2-NZ 3.76Å | ||
| 35 | G | 88.6 | Confident | 95.8 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 46% | 0.464 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 99.5 | -138.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 36 | M | 86.8 | Confident | 96 | Very high | 133 Ų | 133 | 51.1 Ų | 51.1 | 66% | 0.655 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -79.9 | 174.1 | -177.5 | -56.7 | 174.9 | 70.5 | 0 | 0 | 111.8 | G38 E39 | M36-G38 PolarHBondContact O-N 3.21Å; M36-E39 HydrophobicContact CB-CG 4.28Å; M36-E39 PolarHBondContact N-OE2 3.01Å; M36-E39 VanDerWaalsContact O-CB 3.27Å; M36-E39 WeakPolarHBondContact O-CB 3.35Å; M36-E39 WeakPolarHBondContact O-CG 3.34Å; M36-E39 PolarHBondContact O-N 3.32Å |
| 37 | N | 88.7 | Confident | 96.1 | Very high | 110 Ų | 110 | 49.5 Ų | 49.5 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 126.5 | 179.1 | -68.6 | 17.3 | 0 | 0 | 0 | 112.3 | E39 K90 F93 | N37-E39 VanDerWaalsContact C-N 3.3Å; N37-K90 WeakPolarHBondContact O-CE 3.3Å; N37-F93 HydrophobicContact CB-CE2 4.3Å |
| 38 | G | 93.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -4.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M36 K90 F91 | M36-G38 PolarHBondContact O-N 3.21Å; G38-K90 CarbonylContact O-C 3.36Å; G38-K90 WeakPolarHBondContact O-CA 3.35Å; G38-F91 PolarHBondContact O-N 3.15Å |
| 39 | E | 97.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.3 | 178.6 | -60 | -176.2 | -174.9 | 0 | 0 | 111.4 | E34 M36 N37 I82 Y89 K90 | E34-E39 PolarHBondContact N-O 3.25Å; E34-E39 CarbonylContact O-C 3.58Å; E34-E39 WeakPolarHBondContact O-CB 3.28Å; M36-E39 HydrophobicContact CB-CG 4.28Å; M36-E39 PolarHBondContact N-OE2 3.01Å; M36-E39 VanDerWaalsContact O-CB 3.27Å; M36-E39 WeakPolarHBondContact O-CB 3.35Å; M36-E39 WeakPolarHBondContact O-CG 3.34Å; M36-E39 PolarHBondContact O-N 3.32Å; N37-E39 VanDerWaalsContact C-N 3.3Å; E39-I82 HydrophobicContact CB-CD1 3.9Å; E39-I82 HydrophobicContact CG-CD1 3.75Å; E39-Y89 WeakPolarHBondContact CA-O 3.42Å; E39-K90 HydrophobicContact CG-CB 4.03Å; E39-K90 HydrophobicContact CG-CD 3.71Å; E39-K90 HydrophobicContact CG-CG 3.75Å; E39-K90 IonicContact OE1-NZ 3.64Å; E39-K90 PolarHBondContact OE1-NZ 3.32Å |
| 40 | F | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 162.2 | 179.3 | 70.9 | -83.7 | 0 | 0 | 0 | 110.9 | L18 L22 I31 A32 W33 L42 A88 Y89 F91 | L18-F40 HydrophobicContact CD1-CE2 4.27Å; L18-F40 HydrophobicContact CD1-CZ 4.1Å; L22-F40 HydrophobicContact CD1-CB 3.84Å; L22-F40 HydrophobicContact CD1-CD1 4.2Å; L22-F40 HydrophobicContact CD1-CD2 3.98Å; L22-F40 HydrophobicContact CD1-CG 3.75Å; L22-F40 HydrophobicContact CD2-CB 3.87Å; I31-F40 HydrophobicContact CD1-CD2 4.2Å; I31-F40 HydrophobicContact CD1-CE2 4.41Å; I31-F40 HydrophobicContact CG1-CD2 4.35Å; A32-F40 CarbonylContact O-C 3.44Å; A32-F40 VanDerWaalsContact O-CA 3.3Å; A32-F40 WeakPolarHBondContact O-CA 3.33Å; A32-F40 WeakPolarHBondContact O-CB 3.23Å; W33-F40 HydrophobicContact CE3-CB 3.81Å; W33-F40 HydrophobicContact CZ3-CB 4.1Å; W33-F40 HydrophobicContact CZ3-CD1 4.28Å; F40-L42 HydrophobicContact CD2-CD2 4.22Å; F40-L42 HydrophobicContact CE2-CD2 3.93Å; F40-A88 CarbonylContact O-C 3.58Å; F40-A88 WeakPolarHBondContact O-CA 3.47Å; F40-Y89 WeakPolarHBondContact CD1-O 3.4Å; F40-Y89 HydrophobicContact CE2-CD2 4.16Å; F40-Y89 HydrophobicContact CE2-CG 4.47Å; F40-Y89 VanDerWaalsContact CZ-CB 3.49Å; F40-Y89 HydrophobicContact CZ-CD2 4.31Å; F40-Y89 HydrophobicContact CZ-CG 4.16Å; F40-Y89 PolarHBondContact N-O 3.08Å; F40-Y89 PolarHBondContact O-N 3.14Å; F40-Y89 VanDerWaalsContact O-O 3.08Å; F40-F91 AromaticContact CD1-CD2 3.56Å; F40-F91 HydrophobicContact CD1-CD2 3.56Å; F40-F91 AromaticContact CD1-CE2 3.64Å; F40-F91 HydrophobicContact CD1-CE2 3.64Å; F40-F91 AromaticContact CE1-CD2 3.41Å; F40-F91 HydrophobicContact CE1-CD2 3.41Å; F40-F91 VanDerWaalsContact CE1-CD2 3.41Å; F40-F91 AromaticContact CE1-CE2 3.3Å; F40-F91 HydrophobicContact CE1-CE2 3.3Å; F40-F91 HydrophobicContact CE1-CG 4.18Å; F40-F91 HydrophobicContact CE1-CZ 4Å; F40-F91 HydrophobicContact CG-CE2 4.48Å; F40-F91 HydrophobicContact CZ-CD2 4.42Å; F40-F91 AromaticContact CZ-CE2 3.9Å; F40-F91 HydrophobicContact CZ-CE2 3.9Å; F40-F91 HydrophobicContact CZ-CZ 4.28Å |
| 41 | K | 98 | Very high | 96.3 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 27% | 0.27 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 139.5 | 178.9 | -178.4 | 167.7 | 168.4 | -169.5 | 0 | 111 | I31 A32 E34 I43 A88 | I31-K41 WeakPolarHBondContact CA-O 3.31Å; A32-K41 PolarHBondContact N-O 3.31Å; A32-K41 VanDerWaalsContact N-O 3.12Å; A32-K41 PolarHBondContact O-N 3.15Å; E34-K41 HydrophobicContact CB-CB 4.2Å; E34-K41 IonicContact OE1-NZ 3.11Å; E34-K41 PolarHBondContact OE1-NZ 3.41Å; E34-K41 VanDerWaalsContact OE1-NZ 3.11Å; E34-K41 WeakPolarHBondContact OE2-CD 3.33Å; E34-K41 IonicContact OE2-NZ 3.76Å; K41-I43 PolarHBondContact O-N 2.76Å; K41-A88 HydrophobicContact CB-CB 4.47Å |
| 42 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 106.3 | 166.5 | -42.6 | 178.9 | 0 | 0 | 0 | 106.9 | L18 F30 I31 F40 P45 V48 Y63 L66 Y87 Y89 | L18-L42 HydrophobicContact CD2-CD2 4.42Å; F30-L42 CarbonylContact O-C 3.53Å; I31-L42 HydrophobicContact CD1-CD2 3.62Å; I31-L42 HydrophobicContact CG1-CD2 3.89Å; F40-L42 HydrophobicContact CD2-CD2 4.22Å; F40-L42 HydrophobicContact CE2-CD2 3.93Å; L42-P45 HydrophobicContact CB-CB 4.17Å; L42-P45 HydrophobicContact CD1-CB 4.36Å; L42-V48 HydrophobicContact CD2-CG1 4.16Å; L42-V48 HydrophobicContact CD2-CG2 4.2Å; L42-Y63 HydrophobicContact CD1-CD2 4.21Å; L42-Y63 HydrophobicContact CD1-CE2 3.68Å; L42-L66 HydrophobicContact CD1-CD2 4.41Å; L42-Y87 PolarHBondContact N-O 2.8Å; L42-Y87 VanDerWaalsContact O-CB 3.31Å; L42-Y87 WeakPolarHBondContact O-CB 3.45Å; L42-Y89 HydrophobicContact CD1-CE2 4.04Å; L42-Y89 HydrophobicContact CG-CD2 4.5Å; L42-Y89 HydrophobicContact CG-CE2 4.25Å |
| 43 | I | 98.3 | Very high | 96.3 | Very high | 89 Ų | 89 | 51.7 Ų | 51.7 | 46% | 0.456 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -74.3 | -44.5 | -179.8 | -65.6 | 162.5 | 0 | 0 | 0 | 109.1 | A28 S29 F30 A32 K41 | A28-I43 WeakPolarHBondContact O-CD1 3.3Å; S29-I43 VanDerWaalsContact O-CG2 3.32Å; S29-I43 WeakPolarHBondContact O-CG2 3.4Å; F30-I43 PolarHBondContact O-N 3.35Å; A32-I43 HydrophobicContact CB-CD1 3.69Å; K41-I43 PolarHBondContact O-N 2.76Å |
| 44 | D | 98.5 | Very high | 96.2 | Very high | 71 Ų | 71 | 53.4 Ų | 53.4 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -119.7 | 91.9 | 168.6 | -172.1 | -19.8 | 0 | 0 | 0 | 108.8 | F30 E46 E47 V48 | F30-D44 HydrophobicContact CB-CB 3.79Å; F30-D44 PolarHBondContact O-N 3.3Å; F30-D44 VanDerWaalsContact O-N 3.11Å; D44-E46 PolarHBondContact O-N 3.15Å; D44-E46 PolarHBondContact OD1-N 3.14Å; D44-E46 VanDerWaalsContact OD1-N 3.11Å; D44-E47 HydrophobicContact CB-CB 4.04Å; D44-E47 PolarHBondContact O-N 3.3Å; D44-E47 PolarHBondContact OD1-N 3.02Å; D44-E47 VanDerWaalsContact OD1-N 3.09Å; D44-V48 WeakPolarHBondContact O-CG2 3.49Å; D44-V48 PolarHBondContact O-N 3.01Å |
| 45 | P | 98.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -26.3 | -177.9 | 24.8 | -33.2 | 0 | 0 | 0 | 113.4 | L42 A49 Y63 Y87 | L42-P45 HydrophobicContact CB-CB 4.17Å; L42-P45 HydrophobicContact CD1-CB 4.36Å; P45-A49 WeakPolarHBondContact O-CB 3.35Å; P45-A49 PolarHBondContact O-N 3.36Å; P45-A49 VanDerWaalsContact O-N 3.07Å; P45-Y63 HydrophobicContact CB-CD1 4.36Å; P45-Y63 HydrophobicContact CB-CD2 3.48Å; P45-Y63 VanDerWaalsContact CB-CD2 3.48Å; P45-Y63 HydrophobicContact CB-CE2 3.92Å; P45-Y63 HydrophobicContact CB-CG 3.73Å; P45-Y87 HydrophobicContact CB-CD1 4.32Å; P45-Y87 HydrophobicContact CG-CD1 4.23Å; P45-Y87 HydrophobicContact CG-CD2 4.2Å; P45-Y87 HydrophobicContact CG-CE1 4.13Å; P45-Y87 HydrophobicContact CG-CE2 4.1Å; P45-Y87 HydrophobicContact CG-CG 4.26Å |
| 46 | E | 98.5 | Very high | 96.7 | Very high | 104 Ų | 104 | 54 Ų | 54 | 49% | 0.486 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -76.8 | -40.7 | 179.7 | -62.4 | -55.3 | 152.4 | 0 | 0 | 111 | D44 V48 A49 R50 Y63 | D44-E46 PolarHBondContact O-N 3.15Å; D44-E46 PolarHBondContact OD1-N 3.14Å; D44-E46 VanDerWaalsContact OD1-N 3.11Å; E46-V48 VanDerWaalsContact C-N 3.33Å; E46-V48 PolarHBondContact O-N 2.83Å; E46-A49 PolarHBondContact O-N 3.38Å; E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 PolarHBondContact O-N 3.11Å; E46-Y63 WeakPolarHBondContact OE1-CB 3.38Å; E46-Y63 PolarHBondContact OE2-N 3.09Å |
| 47 | E | 98.6 | Very high | 97.1 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 173.9 | 176.6 | 57.7 | -167.9 | 0 | 0 | 111.7 | F30 D44 A49 R50 R51 | F30-E47 HydrophobicContact CB-CB 3.98Å; F30-E47 HydrophobicContact CB-CG 3.83Å; F30-E47 HydrophobicContact CD1-CG 3.93Å; F30-E47 HydrophobicContact CD2-CG 4.34Å; F30-E47 HydrophobicContact CG-CB 4.45Å; F30-E47 HydrophobicContact CG-CG 3.79Å; D44-E47 HydrophobicContact CB-CB 4.04Å; D44-E47 PolarHBondContact O-N 3.3Å; D44-E47 PolarHBondContact OD1-N 3.02Å; D44-E47 VanDerWaalsContact OD1-N 3.09Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.41Å; E47-R50 PolarHBondContact O-N 3.11Å; E47-R50 IonicContact OE1-CZ 3.55Å; E47-R50 IonicContact OE1-NE 2.77Å; E47-R50 IonicContact OE1-NH2 3.45Å; E47-R50 PolarHBondContact OE1-NH2 3.12Å; E47-R50 IonicContact OE2-CZ 3.27Å; E47-R50 IonicContact OE2-NE 2.92Å; E47-R50 PolarHBondContact OE2-NE 2.85Å; E47-R50 IonicContact OE2-NH2 3.84Å; E47-R50 PolarHBondContact OE2-NH2 3Å; E47-R51 WeakPolarHBondContact O-CG 3.37Å; E47-R51 PolarHBondContact O-N 3Å; E47-R51 IonicContact OE1-CZ 3.61Å; E47-R51 IonicContact OE1-NE 2.8Å; E47-R51 PolarHBondContact OE1-NE 3.4Å; E47-R51 IonicContact OE1-NH2 3.52Å |
| 48 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 173.4 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | L18 F30 I31 L42 D44 E46 R51 W52 L66 | L18-V48 HydrophobicContact CD2-CG1 3.94Å; F30-V48 HydrophobicContact CB-CG2 4.36Å; F30-V48 HydrophobicContact CD2-CG2 3.92Å; F30-V48 WeakPolarHBondContact O-CG2 3.09Å; I31-V48 HydrophobicContact CB-CG2 3.96Å; I31-V48 HydrophobicContact CG2-CG2 4.5Å; L42-V48 HydrophobicContact CD2-CG1 4.16Å; L42-V48 HydrophobicContact CD2-CG2 4.2Å; D44-V48 WeakPolarHBondContact O-CG2 3.49Å; D44-V48 PolarHBondContact O-N 3.01Å; E46-V48 VanDerWaalsContact C-N 3.33Å; E46-V48 PolarHBondContact O-N 2.83Å; V48-R51 PolarHBondContact O-N 2.91Å; V48-W52 WeakPolarHBondContact O-CB 3.26Å; V48-W52 PolarHBondContact O-N 3.43Å; V48-L66 HydrophobicContact CG1-CD1 4.09Å |
| 49 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P45 E46 E47 W52 G53 M61 L66 | P45-A49 WeakPolarHBondContact O-CB 3.35Å; P45-A49 PolarHBondContact O-N 3.36Å; P45-A49 VanDerWaalsContact O-N 3.07Å; E46-A49 PolarHBondContact O-N 3.38Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.41Å; A49-W52 PolarHBondContact O-N 3.48Å; A49-G53 PolarHBondContact O-N 3.17Å; A49-M61 HydrophobicContact CB-CG 4.46Å; A49-M61 WeakPolarHBondContact O-CG 3.28Å; A49-L66 HydrophobicContact CB-CB 4.42Å; A49-L66 HydrophobicContact CB-CD1 4.1Å |
| 50 | R | 98.4 | Very high | 97.3 | Very high | 111 Ų | 111 | 63.7 Ų | 63.7 | 42% | 0.419 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 175.5 | -169.9 | -161 | 65.3 | 69.3 | 0.5 | 111 | E46 E47 W52 G53 E54 | E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 PolarHBondContact O-N 3.11Å; E47-R50 PolarHBondContact O-N 3.11Å; E47-R50 IonicContact OE1-CZ 3.55Å; E47-R50 IonicContact OE1-NE 2.77Å; E47-R50 IonicContact OE1-NH2 3.45Å; E47-R50 PolarHBondContact OE1-NH2 3.12Å; E47-R50 IonicContact OE2-CZ 3.27Å; E47-R50 IonicContact OE2-NE 2.92Å; E47-R50 PolarHBondContact OE2-NE 2.85Å; E47-R50 IonicContact OE2-NH2 3.84Å; E47-R50 PolarHBondContact OE2-NH2 3Å; R50-W52 VanDerWaalsContact C-N 3.32Å; R50-W52 PolarHBondContact O-N 3.36Å; R50-G53 CarbonylContact O-C 3.59Å; R50-G53 WeakPolarHBondContact O-CA 3.19Å; R50-G53 PolarHBondContact O-N 3.38Å; R50-G53 VanDerWaalsContact O-N 3.14Å; R50-E54 IonicContact CZ-OE2 3.62Å; R50-E54 IonicContact NH1-OE2 3.88Å; R50-E54 PolarHBondContact NH1-OE2 3.4Å; R50-E54 IonicContact NH2-OE2 2.76Å; R50-E54 PolarHBondContact O-N 3.19Å |
| 51 | R | 98 | Very high | 97.3 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 177.3 | -71.6 | -173.2 | 177.1 | -126.7 | -0.4 | 112.6 | F17 F30 E47 V48 E54 R55 | F17-R51 HydrophobicContact CZ-CB 3.85Å; F30-R51 VanDerWaalsContact CZ-CZ 3.49Å; E47-R51 WeakPolarHBondContact O-CG 3.37Å; E47-R51 PolarHBondContact O-N 3Å; E47-R51 IonicContact OE1-CZ 3.61Å; E47-R51 IonicContact OE1-NE 2.8Å; E47-R51 PolarHBondContact OE1-NE 3.4Å; E47-R51 IonicContact OE1-NH2 3.52Å; V48-R51 PolarHBondContact O-N 2.91Å; R51-E54 PolarHBondContact O-N 2.97Å; R51-R55 WeakPolarHBondContact O-CB 3.46Å; R51-R55 PolarHBondContact O-N 2.96Å |
| 52 | W | 97.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 65.4 Ų | 65.4 | 8% | 0.083 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 172.3 | 176.7 | -125.6 | 0 | 0 | 0 | 111.9 | I12 L14 F17 V48 A49 R50 R55 K56 L66 | I12-W52 HydrophobicContact CG2-CH2 4.42Å; I12-W52 HydrophobicContact CG2-CZ3 3.91Å; I12-W52 WeakPolarHBondContact O-CH2 3.33Å; L14-W52 HydrophobicContact CB-CH2 4.12Å; L14-W52 HydrophobicContact CB-CZ2 3.92Å; L14-W52 HydrophobicContact CD1-CD2 3.85Å; L14-W52 HydrophobicContact CD1-CE3 4.23Å; L14-W52 HydrophobicContact CD1-CG 4.08Å; L14-W52 HydrophobicContact CD1-CZ2 4.36Å; F17-W52 HydrophobicContact CB-CE3 3.87Å; F17-W52 HydrophobicContact CB-CZ3 3.64Å; F17-W52 HydrophobicContact CD1-CB 4.25Å; F17-W52 HydrophobicContact CD1-CD2 4.23Å; F17-W52 AromaticContact CD1-CE3 3.52Å; F17-W52 HydrophobicContact CD1-CE3 3.52Å; F17-W52 HydrophobicContact CD1-CZ3 4.19Å; F17-W52 HydrophobicContact CD2-CE3 4.06Å; F17-W52 HydrophobicContact CD2-CZ3 4.41Å; F17-W52 HydrophobicContact CE1-CB 3.68Å; F17-W52 HydrophobicContact CE1-CE3 4.02Å; F17-W52 HydrophobicContact CE1-CG 4.42Å; F17-W52 HydrophobicContact CE2-CE3 4.49Å; F17-W52 AromaticContact CG-CE3 3.53Å; F17-W52 HydrophobicContact CG-CE3 3.53Å; F17-W52 AromaticContact CG-CZ3 3.83Å; F17-W52 HydrophobicContact CG-CZ3 3.83Å; F17-W52 HydrophobicContact CZ-CB 4.14Å; F17-W52 HydrophobicContact CZ-CE3 4.46Å; V48-W52 WeakPolarHBondContact O-CB 3.26Å; V48-W52 PolarHBondContact O-N 3.43Å; A49-W52 PolarHBondContact O-N 3.48Å; R50-W52 VanDerWaalsContact C-N 3.32Å; R50-W52 PolarHBondContact O-N 3.36Å; W52-R55 HydrophobicContact CE3-CB 4.28Å; W52-R55 HydrophobicContact CE3-CG 4.41Å; W52-R55 HydrophobicContact CZ3-CG 4.35Å; W52-R55 PolarHBondContact O-N 3.13Å; W52-K56 HydrophobicContact CD2-CG 3.87Å; W52-K56 HydrophobicContact CE3-CD 4.46Å; W52-K56 HydrophobicContact CE3-CG 3.85Å; W52-K56 HydrophobicContact CH2-CD 3.41Å; W52-K56 VanDerWaalsContact CH2-CD 3.41Å; W52-K56 HydrophobicContact CH2-CG 3.45Å; W52-K56 VanDerWaalsContact CH2-CG 3.45Å; W52-K56 HydrophobicContact CZ2-CD 3.81Å; W52-K56 HydrophobicContact CZ2-CG 3.43Å; W52-K56 VanDerWaalsContact CZ2-CG 3.43Å; W52-K56 HydrophobicContact CZ3-CD 3.78Å; W52-K56 HydrophobicContact CZ3-CG 3.66Å; W52-K56 PolarHBondContact O-N 3.35Å; W52-L66 HydrophobicContact CB-CD1 3.96Å; W52-L66 HydrophobicContact CG-CD1 4.18Å |
| 53 | G | 97.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | A49 R50 K56 S57 K58 M61 | A49-G53 PolarHBondContact O-N 3.17Å; R50-G53 CarbonylContact O-C 3.59Å; R50-G53 WeakPolarHBondContact O-CA 3.19Å; R50-G53 PolarHBondContact O-N 3.38Å; R50-G53 VanDerWaalsContact O-N 3.14Å; G53-K56 CarbonylContact O-C 3.56Å; G53-K56 PolarHBondContact O-N 3.06Å; G53-S57 CarbonylContact O-C 3.57Å; G53-S57 WeakPolarHBondContact O-CA 3.44Å; G53-S57 PolarHBondContact O-N 3.04Å; G53-K58 WeakPolarHBondContact CA-O 3.36Å; G53-K58 PolarHBondContact O-N 3.37Å; G53-M61 VanDerWaalsContact CA-CB 3.48Å |
| 54 | E | 96.8 | Very high | 97.4 | Very high | 128 Ų | 128 | 68 Ų | 68 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59 | -47.7 | 174.5 | -178.1 | 168 | -150.3 | 0 | 0 | 111.5 | R50 R51 K56 S57 | R50-E54 IonicContact CZ-OE2 3.62Å; R50-E54 IonicContact NH1-OE2 3.88Å; R50-E54 PolarHBondContact NH1-OE2 3.4Å; R50-E54 IonicContact NH2-OE2 2.76Å; R50-E54 PolarHBondContact O-N 3.19Å; R51-E54 PolarHBondContact O-N 2.97Å; E54-K56 VanDerWaalsContact C-N 3.29Å; E54-K56 PolarHBondContact O-N 3.4Å; E54-S57 PolarHBondContact O-N 3.41Å |
| 55 | R | 96 | Very high | 97.3 | Very high | 66 Ų | 66 | 69.5 Ų | 69.5 | 25% | 0.249 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 178.9 | -175.8 | 61.2 | 62.6 | 86 | 1.7 | 113.4 | S9 I12 F17 E20 R51 W52 | S9-R55 WeakPolarHBondContact O-CD 3.32Å; I12-R55 HydrophobicContact CG2-CG 3.54Å; F17-R55 HydrophobicContact CD2-CB 4.36Å; F17-R55 HydrophobicContact CD2-CG 4.11Å; F17-R55 HydrophobicContact CE2-CB 4.15Å; F17-R55 HydrophobicContact CE2-CG 4.36Å; E20-R55 VanDerWaalsContact CD-NH1 3.34Å; E20-R55 IonicContact OE1-CZ 3.31Å; E20-R55 VanDerWaalsContact OE1-CZ 3.31Å; E20-R55 IonicContact OE1-NH1 2.97Å; E20-R55 PolarHBondContact OE1-NH1 2.89Å; E20-R55 IonicContact OE1-NH2 2.73Å; E20-R55 PolarHBondContact OE1-NH2 2.94Å; E20-R55 IonicContact OE2-CZ 3.98Å; E20-R55 IonicContact OE2-NH1 2.95Å; E20-R55 PolarHBondContact OE2-NH1 2.84Å; R51-R55 WeakPolarHBondContact O-CB 3.46Å; R51-R55 PolarHBondContact O-N 2.96Å; W52-R55 HydrophobicContact CE3-CB 4.28Å; W52-R55 HydrophobicContact CE3-CG 4.41Å; W52-R55 HydrophobicContact CZ3-CG 4.35Å; W52-R55 PolarHBondContact O-N 3.13Å |
| 56 | K | 95.2 | Very high | 97.3 | Very high | 63 Ų | 63 | 68.9 Ų | 68.9 | 27% | 0.274 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.5 | -178.4 | -60.4 | -64 | -74.5 | -170.6 | 0 | 113.7 | G10 I12 W52 G53 E54 K58 | G10-K56 PolarHBondContact O-NZ 3.45Å; I12-K56 HydrophobicContact CG2-CD 4.37Å; I12-K56 PolarHBondContact O-NZ 2.78Å; W52-K56 HydrophobicContact CD2-CG 3.87Å; W52-K56 HydrophobicContact CE3-CD 4.46Å; W52-K56 HydrophobicContact CE3-CG 3.85Å; W52-K56 HydrophobicContact CH2-CD 3.41Å; W52-K56 VanDerWaalsContact CH2-CD 3.41Å; W52-K56 HydrophobicContact CH2-CG 3.45Å; W52-K56 VanDerWaalsContact CH2-CG 3.45Å; W52-K56 HydrophobicContact CZ2-CD 3.81Å; W52-K56 HydrophobicContact CZ2-CG 3.43Å; W52-K56 VanDerWaalsContact CZ2-CG 3.43Å; W52-K56 HydrophobicContact CZ3-CD 3.78Å; W52-K56 HydrophobicContact CZ3-CG 3.66Å; W52-K56 PolarHBondContact O-N 3.35Å; G53-K56 CarbonylContact O-C 3.56Å; G53-K56 PolarHBondContact O-N 3.06Å; E54-K56 VanDerWaalsContact C-N 3.29Å; E54-K56 PolarHBondContact O-N 3.4Å; K56-K58 VanDerWaalsContact C-N 3.29Å; K56-K58 HydrophobicContact CB-CG 4Å; K56-K58 PolarHBondContact O-N 3.09Å |
| 57 | S | 94.6 | Very high | 97.3 | Very high | 103 Ų | 103 | 64.7 Ų | 64.7 | 72% | 0.72 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 46.8 | -171.5 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | G53 E54 | G53-S57 CarbonylContact O-C 3.57Å; G53-S57 WeakPolarHBondContact O-CA 3.44Å; G53-S57 PolarHBondContact O-N 3.04Å; E54-S57 PolarHBondContact O-N 3.41Å |
| 58 | K | 94.5 | Very high | 97.3 | Very high | 127 Ų | 127 | 67 Ų | 67 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | trans | -116.3 | 89.1 | 177.4 | -63.4 | -58.2 | -178.9 | -176.1 | 0 | 109.8 | G53 K56 N60 M61 | G53-K58 WeakPolarHBondContact CA-O 3.36Å; G53-K58 PolarHBondContact O-N 3.37Å; K56-K58 VanDerWaalsContact C-N 3.29Å; K56-K58 HydrophobicContact CB-CG 4Å; K56-K58 PolarHBondContact O-N 3.09Å; K58-N60 PolarHBondContact O-N 3.49Å; K58-M61 HydrophobicContact CB-CB 4.4Å; K58-M61 HydrophobicContact CB-CE 4.16Å; K58-M61 VanDerWaalsContact O-CB 3.24Å; K58-M61 WeakPolarHBondContact O-CB 3.46Å; K58-M61 PolarHBondContact O-N 3.21Å; K58-M61 VanDerWaalsContact O-N 3.11Å | ||
| 59 | P | 94 | Very high | 97.2 | Very high | 120 Ų | 120 | 68.5 Ų | 68.5 | 78% | 0.779 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.9 | -173.3 | 25.3 | -34.9 | 0 | 0 | 0 | 113.7 | M61 | P59-M61 VanDerWaalsContact C-N 3.25Å; P59-M61 PolarHBondContact O-N 2.97Å |
| 60 | N | 97.2 | Very high | 97.2 | Very high | 127 Ų | 127 | 68.5 Ų | 68.5 | 68% | 0.679 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 22.1 | 178.2 | -59.7 | -28.7 | 0 | 0 | 0 | 112.6 | K58 K65 | K58-N60 PolarHBondContact O-N 3.49Å; N60-K65 PolarHBondContact O-NZ 3.5Å |
| 61 | M | 98 | Very high | 97.2 | Very high | 40 Ų | 40 | 68.9 Ų | 68.9 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | trans | -73.2 | 138.3 | 174 | -172.9 | 59.2 | 67 | 0 | 0 | 109.8 | A49 G53 K58 P59 K65 L66 | A49-M61 HydrophobicContact CB-CG 4.46Å; A49-M61 WeakPolarHBondContact O-CG 3.28Å; G53-M61 VanDerWaalsContact CA-CB 3.48Å; K58-M61 HydrophobicContact CB-CB 4.4Å; K58-M61 HydrophobicContact CB-CE 4.16Å; K58-M61 VanDerWaalsContact O-CB 3.24Å; K58-M61 WeakPolarHBondContact O-CB 3.46Å; K58-M61 PolarHBondContact O-N 3.21Å; K58-M61 VanDerWaalsContact O-N 3.11Å; P59-M61 VanDerWaalsContact C-N 3.25Å; P59-M61 PolarHBondContact O-N 2.97Å; M61-K65 HydrophobicContact SD-CB 3.94Å; M61-L66 HydrophobicContact SD-CB 4.46Å | ||
| 62 | N | 98.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 71 Ų | 71 | 32% | 0.316 | 35% | 0.349 | S | S | . | . | trans | -149.7 | 172.9 | 177.9 | 60.8 | 22.9 | 0 | 0 | 0 | 109.3 | D64 K65 L66 | N62-D64 VanDerWaalsContact C-N 3.3Å; N62-D64 PolarHBondContact O-N 3.46Å; N62-D64 PolarHBondContact OD1-N 3.17Å; N62-K65 PolarHBondContact O-N 3.46Å; N62-K65 WeakPolarHBondContact OD1-CG 3.46Å; N62-K65 PolarHBondContact OD1-N 3.39Å; N62-L66 PolarHBondContact O-N 3.49Å | ||
| 63 | Y | 98.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 71 Ų | 71 | 14% | 0.141 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -34.4 | -177.2 | 177.9 | -109.6 | 0 | 0 | 0 | 113.5 | L42 P45 E46 K65 L66 S67 Y87 Y89 | L42-Y63 HydrophobicContact CD1-CD2 4.21Å; L42-Y63 HydrophobicContact CD1-CE2 3.68Å; P45-Y63 HydrophobicContact CB-CD1 4.36Å; P45-Y63 HydrophobicContact CB-CD2 3.48Å; P45-Y63 VanDerWaalsContact CB-CD2 3.48Å; P45-Y63 HydrophobicContact CB-CE2 3.92Å; P45-Y63 HydrophobicContact CB-CG 3.73Å; E46-Y63 WeakPolarHBondContact OE1-CB 3.38Å; E46-Y63 PolarHBondContact OE2-N 3.09Å; Y63-K65 PolarHBondContact O-N 2.98Å; Y63-L66 HydrophobicContact CD2-CD2 4.37Å; Y63-L66 HydrophobicContact CE2-CD2 4.47Å; Y63-L66 PolarHBondContact O-N 3.4Å; Y63-S67 WeakPolarHBondContact O-CB 3.43Å; Y63-S67 PolarHBondContact O-N 2.95Å; Y63-S67 PolarHBondContact O-OG 3.42Å; Y63-Y87 HydrophobicContact CD1-CE1 4.15Å; Y63-Y87 AromaticContact CE1-CD1 3.78Å; Y63-Y87 HydrophobicContact CE1-CD1 3.78Å; Y63-Y87 AromaticContact CE1-CE1 3.49Å; Y63-Y87 HydrophobicContact CE1-CE1 3.49Å; Y63-Y87 VanDerWaalsContact CE1-CE1 3.49Å; Y63-Y87 HydrophobicContact CE2-CD1 4.27Å; Y63-Y87 AromaticContact CZ-CD1 3.55Å; Y63-Y87 AromaticContact CZ-CE1 3.8Å; Y63-Y87 WeakPolarHBondContact OH-CD1 3.5Å; Y63-Y89 PolarHBondContact OH-OH 2.81Å |
| 64 | D | 98.3 | Very high | 97 | Very high | 108 Ų | 108 | 73.7 Ų | 73.7 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -55.6 | -50.5 | 177 | 177.6 | 66 | 0 | 0 | 0 | 111.6 | N62 S67 R68 | N62-D64 VanDerWaalsContact C-N 3.3Å; N62-D64 PolarHBondContact O-N 3.46Å; N62-D64 PolarHBondContact OD1-N 3.17Å; D64-S67 PolarHBondContact O-N 3.19Å; D64-S67 PolarHBondContact O-OG 3.12Å; D64-R68 PolarHBondContact O-N 3.07Å |
| 65 | K | 98.2 | Very high | 96.9 | Very high | 101 Ų | 101 | 74.6 Ų | 74.6 | 44% | 0.439 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 177.8 | -67 | 170.7 | -171.9 | 172.2 | 0 | 112.7 | N60 M61 N62 Y63 S67 R68 A69 | N60-K65 PolarHBondContact O-NZ 3.5Å; M61-K65 HydrophobicContact SD-CB 3.94Å; N62-K65 PolarHBondContact O-N 3.46Å; N62-K65 WeakPolarHBondContact OD1-CG 3.46Å; N62-K65 PolarHBondContact OD1-N 3.39Å; Y63-K65 PolarHBondContact O-N 2.98Å; K65-S67 VanDerWaalsContact C-N 3.35Å; K65-R68 WeakPolarHBondContact O-CB 3.46Å; K65-R68 PolarHBondContact O-N 3.14Å; K65-A69 PolarHBondContact O-N 3.42Å |
| 66 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.3 | -175.9 | 151.3 | 0 | 0 | 0 | 110.5 | L14 L42 V48 A49 W52 M61 N62 Y63 R68 A69 L70 | L14-L66 HydrophobicContact CD1-CD1 4.2Å; L14-L66 HydrophobicContact CD1-CG 4.25Å; L14-L66 HydrophobicContact CD2-CG 4.24Å; L42-L66 HydrophobicContact CD1-CD2 4.41Å; V48-L66 HydrophobicContact CG1-CD1 4.09Å; A49-L66 HydrophobicContact CB-CB 4.42Å; A49-L66 HydrophobicContact CB-CD1 4.1Å; W52-L66 HydrophobicContact CB-CD1 3.96Å; W52-L66 HydrophobicContact CG-CD1 4.18Å; M61-L66 HydrophobicContact SD-CB 4.46Å; N62-L66 PolarHBondContact O-N 3.49Å; Y63-L66 HydrophobicContact CD2-CD2 4.37Å; Y63-L66 HydrophobicContact CE2-CD2 4.47Å; Y63-L66 PolarHBondContact O-N 3.4Å; L66-R68 PolarHBondContact O-N 3.31Å; L66-A69 WeakPolarHBondContact O-CA 3.32Å; L66-A69 WeakPolarHBondContact O-CB 2.94Å; L66-A69 PolarHBondContact O-N 3.22Å; L66-L70 HydrophobicContact CD2-CD1 3.59Å; L66-L70 HydrophobicContact CD2-CD2 4.48Å; L66-L70 HydrophobicContact CD2-CG 3.92Å; L66-L70 PolarHBondContact O-N 3.05Å |
| 67 | S | 98.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 78 Ų | 78 | 12% | 0.119 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63 | -32.5 | 177.9 | 80.8 | 0 | 0 | 0 | 0 | 111.7 | Y63 D64 K65 A69 L70 R71 | Y63-S67 WeakPolarHBondContact O-CB 3.43Å; Y63-S67 PolarHBondContact O-N 2.95Å; Y63-S67 PolarHBondContact O-OG 3.42Å; D64-S67 PolarHBondContact O-N 3.19Å; D64-S67 PolarHBondContact O-OG 3.12Å; K65-S67 VanDerWaalsContact C-N 3.35Å; S67-A69 VanDerWaalsContact C-N 3.31Å; S67-A69 PolarHBondContact O-N 3.34Å; S67-L70 PolarHBondContact O-N 3.45Å; S67-R71 WeakPolarHBondContact O-CG 3.37Å; S67-R71 PolarHBondContact O-N 3.48Å |
| 68 | R | 98.1 | Very high | 96.8 | Very high | 90 Ų | 90 | 73.2 Ų | 73.2 | 34% | 0.34 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -40.4 | 171.4 | -177.1 | 65.9 | -168.2 | 94.2 | -14.6 | 111.9 | D64 K65 L66 R71 Y72 | D64-R68 PolarHBondContact O-N 3.07Å; K65-R68 WeakPolarHBondContact O-CB 3.46Å; K65-R68 PolarHBondContact O-N 3.14Å; L66-R68 PolarHBondContact O-N 3.31Å; R68-R71 PolarHBondContact O-N 3.31Å; R68-Y72 HydrophobicContact CG-CE2 4.06Å; R68-Y72 PolarHBondContact NE-OH 3.3Å; R68-Y72 PolarHBondContact NH2-OH 2.86Å; R68-Y72 VanDerWaalsContact O-CD2 3.26Å; R68-Y72 WeakPolarHBondContact O-CD2 3.28Å |
| 69 | A | 96.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 67.1 Ų | 67.1 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L14 K65 L66 S67 R71 Y72 | L14-A69 HydrophobicContact CD2-CB 3.55Å; K65-A69 PolarHBondContact O-N 3.42Å; L66-A69 WeakPolarHBondContact O-CA 3.32Å; L66-A69 WeakPolarHBondContact O-CB 2.94Å; L66-A69 PolarHBondContact O-N 3.22Å; S67-A69 VanDerWaalsContact C-N 3.31Å; S67-A69 PolarHBondContact O-N 3.34Å; A69-R71 VanDerWaalsContact C-N 3.3Å; A69-R71 PolarHBondContact O-N 2.9Å; A69-Y72 WeakPolarHBondContact O-CB 3.27Å; A69-Y72 PolarHBondContact O-N 2.92Å; A69-Y72 VanDerWaalsContact O-N 3.15Å |
| 70 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 175.7 | -61 | 177.8 | 0 | 0 | 0 | 112.4 | L14 L18 L66 S67 Y72 Y73 Y74 M79 Y89 | L14-L70 HydrophobicContact CD2-CD2 3.57Å; L14-L70 HydrophobicContact CD2-CG 4.08Å; L14-L70 HydrophobicContact CG-CD2 4.06Å; L18-L70 HydrophobicContact CD1-CD2 3.6Å; L66-L70 HydrophobicContact CD2-CD1 3.59Å; L66-L70 HydrophobicContact CD2-CD2 4.48Å; L66-L70 HydrophobicContact CD2-CG 3.92Å; L66-L70 PolarHBondContact O-N 3.05Å; S67-L70 PolarHBondContact O-N 3.45Å; L70-Y72 PolarHBondContact O-N 2.94Å; L70-Y73 HydrophobicContact CD2-CD2 4.34Å; L70-Y73 WeakPolarHBondContact O-CB 3.17Å; L70-Y73 PolarHBondContact O-N 3.47Å; L70-Y74 WeakPolarHBondContact O-CD1 3.34Å; L70-Y74 VanDerWaalsContact O-CE1 3.28Å; L70-Y74 WeakPolarHBondContact O-CE1 3.43Å; L70-M79 HydrophobicContact CB-SD 4.17Å; L70-M79 HydrophobicContact CD2-CE 3.94Å; L70-M79 HydrophobicContact CD2-SD 3.52Å; L70-M79 VanDerWaalsContact CD2-SD 3.52Å; L70-M79 HydrophobicContact CG-SD 4.36Å; L70-Y89 HydrophobicContact CB-CE1 4.29Å; L70-Y89 HydrophobicContact CD1-CD1 4.37Å; L70-Y89 HydrophobicContact CD1-CD2 4.38Å; L70-Y89 HydrophobicContact CD1-CE1 3.84Å; L70-Y89 HydrophobicContact CD1-CE2 3.87Å |
| 71 | R | 97.8 | Very high | 97 | Very high | 119 Ų | 119 | 60.5 Ų | 60.5 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -32.7 | 176.5 | -74.9 | -172 | -75.9 | 141.1 | -13.6 | 113.3 | S67 R68 A69 Y73 Y74 | S67-R71 WeakPolarHBondContact O-CG 3.37Å; S67-R71 PolarHBondContact O-N 3.48Å; R68-R71 PolarHBondContact O-N 3.31Å; A69-R71 VanDerWaalsContact C-N 3.3Å; A69-R71 PolarHBondContact O-N 2.9Å; R71-Y73 PolarHBondContact O-N 3.29Å; R71-Y74 HydrophobicContact CB-CE2 4.19Å; R71-Y74 HydrophobicContact CG-CE2 3.76Å; R71-Y74 PolarHBondContact O-N 3.09Å |
| 72 | Y | 96.9 | Very high | 97 | Very high | 132 Ų | 132 | 60 Ų | 60 | 52% | 0.518 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -13.6 | 175.6 | -67.3 | -58.9 | 0 | 0 | 0 | 113.6 | R68 A69 L70 | R68-Y72 HydrophobicContact CG-CE2 4.06Å; R68-Y72 PolarHBondContact NE-OH 3.3Å; R68-Y72 PolarHBondContact NH2-OH 2.86Å; R68-Y72 VanDerWaalsContact O-CD2 3.26Å; R68-Y72 WeakPolarHBondContact O-CD2 3.28Å; A69-Y72 WeakPolarHBondContact O-CB 3.27Å; A69-Y72 PolarHBondContact O-N 2.92Å; A69-Y72 VanDerWaalsContact O-N 3.15Å; L70-Y72 PolarHBondContact O-N 2.94Å |
| 73 | Y | 96.9 | Very high | 96.9 | Very high | 22 Ų | 22 | 65.1 Ų | 65.1 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -9.6 | 177.4 | -68.7 | -38.7 | 0 | 0 | 0 | 114.2 | L14 W15 L70 R71 K76 N77 I78 M79 | L14-Y73 HydrophobicContact CB-CE2 4.03Å; L14-Y73 HydrophobicContact CD2-CE2 4.27Å; L14-Y73 HydrophobicContact CG-CE2 4.26Å; L14-Y73 PolarHBondContact N-OH 2.93Å; W15-Y73 HydrophobicContact CB-CE2 3.97Å; W15-Y73 AromaticContact CD1-CZ 3.8Å; W15-Y73 PolarHBondContact N-OH 3.28Å; L70-Y73 HydrophobicContact CD2-CD2 4.34Å; L70-Y73 WeakPolarHBondContact O-CB 3.17Å; L70-Y73 PolarHBondContact O-N 3.47Å; R71-Y73 PolarHBondContact O-N 3.29Å; Y73-K76 HydrophobicContact CD1-CD 4.38Å; Y73-K76 PolarHBondContact O-N 3.32Å; Y73-N77 PolarHBondContact O-N 3.29Å; Y73-I78 HydrophobicContact CD1-CB 4.29Å; Y73-I78 HydrophobicContact CD1-CD1 3.74Å; Y73-I78 HydrophobicContact CD1-CG2 4.38Å; Y73-I78 HydrophobicContact CE1-CD1 4.07Å; Y73-I78 HydrophobicContact CG-CB 4.3Å; Y73-I78 HydrophobicContact CG-CG2 4.28Å; Y73-I78 PolarHBondContact O-N 2.95Å; Y73-I78 VanDerWaalsContact O-N 3.15Å; Y73-M79 VanDerWaalsContact CB-CG 3.5Å; Y73-M79 HydrophobicContact CD2-CE 3.56Å; Y73-M79 HydrophobicContact CD2-CG 4.14Å; Y73-M79 HydrophobicContact CD2-SD 3.8Å; Y73-M79 HydrophobicContact CE2-CE 4.09Å; Y73-M79 HydrophobicContact CG-CE 4.42Å; Y73-M79 HydrophobicContact CG-CG 4.27Å |
| 74 | Y | 96.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -52.6 | -178 | -58.9 | -8.1 | 0 | 0 | 0 | 110.5 | L70 R71 K76 N77 M79 K81 Y89 | L70-Y74 WeakPolarHBondContact O-CD1 3.34Å; L70-Y74 VanDerWaalsContact O-CE1 3.28Å; L70-Y74 WeakPolarHBondContact O-CE1 3.43Å; R71-Y74 HydrophobicContact CB-CE2 4.19Å; R71-Y74 HydrophobicContact CG-CE2 3.76Å; R71-Y74 PolarHBondContact O-N 3.09Å; Y74-K76 PolarHBondContact O-N 2.86Å; Y74-N77 PolarHBondContact O-N 3.36Å; Y74-M79 WeakPolarHBondContact CA-O 3.39Å; Y74-M79 VanDerWaalsContact CD1-O 3.26Å; Y74-M79 WeakPolarHBondContact CD1-O 3.46Å; Y74-K81 HydrophobicContact CE1-CB 4.41Å; Y74-K81 HydrophobicContact CE2-CB 4.1Å; Y74-K81 WeakPolarHBondContact OH-CB 3.45Å; Y74-Y89 WeakPolarHBondContact OH-CE1 3.41Å |
| 75 | D | 94.1 | Very high | 96.6 | Very high | 147 Ų | 147 | 67 Ų | 67 | 79% | 0.786 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -21.1 | 179.1 | -55 | -24 | 0 | 0 | 0 | 112.7 | N77 | D75-N77 VanDerWaalsContact C-N 3.29Š|
| 76 | K | 92.9 | Very high | 96.6 | Very high | 112 Ų | 112 | 70.6 Ų | 70.6 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2 | 177.3 | -62 | -174.3 | 67.2 | 177.4 | 0 | 113.1 | Y73 Y74 I78 | Y73-K76 HydrophobicContact CD1-CD 4.38Å; Y73-K76 PolarHBondContact O-N 3.32Å; Y74-K76 PolarHBondContact O-N 2.86Å; K76-I78 HydrophobicContact CB-CD1 3.91Å; K76-I78 HydrophobicContact CB-CG1 4Å; K76-I78 HydrophobicContact CD-CD1 4.26Å; K76-I78 PolarHBondContact O-N 3.21Å; K76-I78 VanDerWaalsContact O-N 3.14Å |
| 77 | N | 94.4 | Very high | 96.6 | Very high | 89 Ų | 89 | 73.6 Ų | 73.6 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 30.1 | -175.2 | -49 | -66 | 0 | 0 | 0 | 112.9 | Y73 Y74 D75 D92 G95 | Y73-N77 PolarHBondContact O-N 3.29Å; Y74-N77 PolarHBondContact O-N 3.36Å; D75-N77 VanDerWaalsContact C-N 3.29Å; N77-D92 VanDerWaalsContact O-CB 3.27Å; N77-D92 WeakPolarHBondContact O-CB 3.4Å; N77-G95 WeakPolarHBondContact O-CA 3.42Å; N77-G95 PolarHBondContact O-N 2.7Å |
| 78 | I | 95.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -88.2 | -38.6 | 177.7 | -68.5 | 171 | 0 | 0 | 0 | 109.8 | W15 Y73 K76 D92 L96 A99 | W15-I78 HydrophobicContact CB-CG2 3.94Å; W15-I78 HydrophobicContact CG-CG2 4.19Å; Y73-I78 HydrophobicContact CD1-CB 4.29Å; Y73-I78 HydrophobicContact CD1-CD1 3.74Å; Y73-I78 HydrophobicContact CD1-CG2 4.38Å; Y73-I78 HydrophobicContact CE1-CD1 4.07Å; Y73-I78 HydrophobicContact CG-CB 4.3Å; Y73-I78 HydrophobicContact CG-CG2 4.28Å; Y73-I78 PolarHBondContact O-N 2.95Å; Y73-I78 VanDerWaalsContact O-N 3.15Å; K76-I78 HydrophobicContact CB-CD1 3.91Å; K76-I78 HydrophobicContact CB-CG1 4Å; K76-I78 HydrophobicContact CD-CD1 4.26Å; K76-I78 PolarHBondContact O-N 3.21Å; K76-I78 VanDerWaalsContact O-N 3.14Å; I78-D92 PolarHBondContact O-N 2.76Å; I78-L96 HydrophobicContact CG2-CD2 4.46Å; I78-L96 HydrophobicContact CG2-CG 4.4Å; I78-A99 HydrophobicContact CD1-CB 3.7Å; I78-A99 HydrophobicContact CG1-CB 3.9Å |
| 79 | M | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 166.9 | 174.8 | 63.3 | 176 | 68.1 | 0 | 0 | 110.6 | W15 L18 L70 Y73 Y74 K90 F91 | W15-M79 HydrophobicContact CB-CE 4.28Å; L18-M79 HydrophobicContact CD1-CE 4.14Å; L70-M79 HydrophobicContact CB-SD 4.17Å; L70-M79 HydrophobicContact CD2-CE 3.94Å; L70-M79 HydrophobicContact CD2-SD 3.52Å; L70-M79 VanDerWaalsContact CD2-SD 3.52Å; L70-M79 HydrophobicContact CG-SD 4.36Å; Y73-M79 VanDerWaalsContact CB-CG 3.5Å; Y73-M79 HydrophobicContact CD2-CE 3.56Å; Y73-M79 HydrophobicContact CD2-CG 4.14Å; Y73-M79 HydrophobicContact CD2-SD 3.8Å; Y73-M79 HydrophobicContact CE2-CE 4.09Å; Y73-M79 HydrophobicContact CG-CE 4.42Å; Y73-M79 HydrophobicContact CG-CG 4.27Å; Y74-M79 WeakPolarHBondContact CA-O 3.39Å; Y74-M79 VanDerWaalsContact CD1-O 3.26Å; Y74-M79 WeakPolarHBondContact CD1-O 3.46Å; M79-K90 CarbonylContact C-O 3.58Å; M79-K90 WeakPolarHBondContact CA-O 3.33Å; M79-K90 VanDerWaalsContact CB-O 3.23Å; M79-K90 WeakPolarHBondContact CB-O 3.44Å; M79-F91 HydrophobicContact CB-CD1 4.21Å; M79-F91 HydrophobicContact CE-CD1 4.12Å; M79-F91 HydrophobicContact CE-CE1 3.47Å; M79-F91 VanDerWaalsContact CE-CE1 3.47Å; M79-F91 HydrophobicContact CE-CZ 3.93Å |
| 80 | T | 97.1 | Very high | 96.6 | Very high | 59 Ų | 59 | 70.3 Ų | 70.3 | 36% | 0.362 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.5 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 111 | Y89 K90 | T80-Y89 CarbonylContact O-C 3.59Å; T80-Y89 WeakPolarHBondContact O-CA 3.28Å; T80-K90 PolarHBondContact N-O 3.41Å; T80-K90 PolarHBondContact O-N 2.94Å |
| 81 | K | 97.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 70.5 Ų | 70.5 | 21% | 0.213 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 134.2 | 171.6 | -178.6 | 62.2 | -166.9 | 151.8 | 0 | 109.9 | Y74 H83 K85 A88 Y89 | Y74-K81 HydrophobicContact CE1-CB 4.41Å; Y74-K81 HydrophobicContact CE2-CB 4.1Å; Y74-K81 WeakPolarHBondContact OH-CB 3.45Å; K81-H83 PolarHBondContact O-N 3.46Å; K81-K85 PolarHBondContact NZ-O 2.87Å; K81-A88 WeakPolarHBondContact CD-O 3.48Å; K81-A88 WeakPolarHBondContact CE-O 3.48Å; K81-A88 VanDerWaalsContact NZ-N 3.13Å; K81-A88 PolarHBondContact NZ-O 3.31Å; K81-Y89 HydrophobicContact CD-CD1 3.9Å; K81-Y89 HydrophobicContact CD-CE1 3.57Å |
| 82 | I | 97.1 | Very high | 96.4 | Very high | 29 Ų | 29 | 67.5 Ų | 67.5 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | trans | -84.1 | 111.2 | 167 | -57 | 175.2 | 0 | 0 | 0 | 108.1 | E39 K85 A88 K90 | E39-I82 HydrophobicContact CB-CD1 3.9Å; E39-I82 HydrophobicContact CG-CD1 3.75Å; I82-K85 HydrophobicContact CG2-CB 4.15Å; I82-K85 HydrophobicContact CG2-CD 3.99Å; I82-K85 HydrophobicContact CG2-CG 4.16Å; I82-A88 HydrophobicContact CB-CB 4.04Å; I82-A88 HydrophobicContact CD1-CB 4.11Å; I82-A88 PolarHBondContact N-O 3.14Å; I82-A88 VanDerWaalsContact N-O 3.14Å; I82-K90 HydrophobicContact CD1-CB 4.27Å; I82-K90 HydrophobicContact CG1-CB 4.18Å | ||
| 83 | H | 95.9 | Very high | 96.1 | Very high | 166 Ų | 166 | 64.9 Ų | 64.9 | 77% | 0.769 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 150.1 | 175.8 | -67.6 | -83.5 | 0 | 0 | 0 | 110.9 | K81 K85 | K81-H83 PolarHBondContact O-N 3.46Å; H83-K85 PolarHBondContact O-N 3.3Å |
| 84 | G | 96.4 | Very high | 95.8 | Very high | 93 Ų | 93 | 70 Ų | 70 | 96% | 0.959 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -14.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 85 | K | 95.6 | Very high | 95.5 | Very high | 90 Ų | 90 | 67.3 Ų | 67.3 | 39% | 0.391 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -115 | 124.2 | 176.6 | -66 | -172.8 | -173.7 | 176 | 0 | 112.2 | K81 I82 H83 Y87 A88 | K81-K85 PolarHBondContact NZ-O 2.87Å; I82-K85 HydrophobicContact CG2-CB 4.15Å; I82-K85 HydrophobicContact CG2-CD 3.99Å; I82-K85 HydrophobicContact CG2-CG 4.16Å; H83-K85 PolarHBondContact O-N 3.3Å; K85-Y87 PolarHBondContact O-N 3.42Å; K85-A88 HydrophobicContact CB-CB 3.57Å; K85-A88 HydrophobicContact CD-CB 4.21Å |
| 86 | R | 97.4 | Very high | 95.3 | Very high | 178 Ų | 178 | 60.4 Ų | 60.4 | 67% | 0.672 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 133 | 174 | -69 | -175.5 | 65.9 | -166.5 | 0.4 | 110 | A88 | R86-A88 PolarHBondContact O-N 2.98Š|
| 87 | Y | 98.3 | Very high | 95.1 | Very high | 63 Ų | 63 | 57 Ų | 57 | 25% | 0.247 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 13.3 | 174.7 | -44.5 | -56 | 0 | 0 | 0 | 117.1 | L42 P45 Y63 K85 Y89 | L42-Y87 PolarHBondContact N-O 2.8Å; L42-Y87 VanDerWaalsContact O-CB 3.31Å; L42-Y87 WeakPolarHBondContact O-CB 3.45Å; P45-Y87 HydrophobicContact CB-CD1 4.32Å; P45-Y87 HydrophobicContact CG-CD1 4.23Å; P45-Y87 HydrophobicContact CG-CD2 4.2Å; P45-Y87 HydrophobicContact CG-CE1 4.13Å; P45-Y87 HydrophobicContact CG-CE2 4.1Å; P45-Y87 HydrophobicContact CG-CG 4.26Å; Y63-Y87 HydrophobicContact CD1-CE1 4.15Å; Y63-Y87 AromaticContact CE1-CD1 3.78Å; Y63-Y87 HydrophobicContact CE1-CD1 3.78Å; Y63-Y87 AromaticContact CE1-CE1 3.49Å; Y63-Y87 HydrophobicContact CE1-CE1 3.49Å; Y63-Y87 VanDerWaalsContact CE1-CE1 3.49Å; Y63-Y87 HydrophobicContact CE2-CD1 4.27Å; Y63-Y87 AromaticContact CZ-CD1 3.55Å; Y63-Y87 AromaticContact CZ-CE1 3.8Å; Y63-Y87 WeakPolarHBondContact OH-CD1 3.5Å; K85-Y87 PolarHBondContact O-N 3.42Å; Y87-Y89 VanDerWaalsContact O-CD2 3.28Å; Y87-Y89 WeakPolarHBondContact O-CD2 3.2Å; Y87-Y89 WeakPolarHBondContact O-CE2 3.38Å |
| 88 | A | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 140.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F40 K41 K81 I82 K85 R86 | F40-A88 CarbonylContact O-C 3.58Å; F40-A88 WeakPolarHBondContact O-CA 3.47Å; K41-A88 HydrophobicContact CB-CB 4.47Å; K81-A88 WeakPolarHBondContact CD-O 3.48Å; K81-A88 WeakPolarHBondContact CE-O 3.48Å; K81-A88 VanDerWaalsContact NZ-N 3.13Å; K81-A88 PolarHBondContact NZ-O 3.31Å; I82-A88 HydrophobicContact CB-CB 4.04Å; I82-A88 HydrophobicContact CD1-CB 4.11Å; I82-A88 PolarHBondContact N-O 3.14Å; I82-A88 VanDerWaalsContact N-O 3.14Å; K85-A88 HydrophobicContact CB-CB 3.57Å; K85-A88 HydrophobicContact CD-CB 4.21Å; R86-A88 PolarHBondContact O-N 2.98Å |
| 89 | Y | 98.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 162.3 | -175.8 | -60.5 | -89.4 | 0 | 0 | 0 | 109.5 | E39 F40 L42 Y63 L70 Y74 T80 K81 Y87 | E39-Y89 WeakPolarHBondContact CA-O 3.42Å; F40-Y89 WeakPolarHBondContact CD1-O 3.4Å; F40-Y89 HydrophobicContact CE2-CD2 4.16Å; F40-Y89 HydrophobicContact CE2-CG 4.47Å; F40-Y89 VanDerWaalsContact CZ-CB 3.49Å; F40-Y89 HydrophobicContact CZ-CD2 4.31Å; F40-Y89 HydrophobicContact CZ-CG 4.16Å; F40-Y89 PolarHBondContact N-O 3.08Å; F40-Y89 PolarHBondContact O-N 3.14Å; F40-Y89 VanDerWaalsContact O-O 3.08Å; L42-Y89 HydrophobicContact CD1-CE2 4.04Å; L42-Y89 HydrophobicContact CG-CD2 4.5Å; L42-Y89 HydrophobicContact CG-CE2 4.25Å; Y63-Y89 PolarHBondContact OH-OH 2.81Å; L70-Y89 HydrophobicContact CB-CE1 4.29Å; L70-Y89 HydrophobicContact CD1-CD1 4.37Å; L70-Y89 HydrophobicContact CD1-CD2 4.38Å; L70-Y89 HydrophobicContact CD1-CE1 3.84Å; L70-Y89 HydrophobicContact CD1-CE2 3.87Å; Y74-Y89 WeakPolarHBondContact OH-CE1 3.41Å; T80-Y89 CarbonylContact O-C 3.59Å; T80-Y89 WeakPolarHBondContact O-CA 3.28Å; K81-Y89 HydrophobicContact CD-CD1 3.9Å; K81-Y89 HydrophobicContact CD-CE1 3.57Å; Y87-Y89 VanDerWaalsContact O-CD2 3.28Å; Y87-Y89 WeakPolarHBondContact O-CD2 3.2Å; Y87-Y89 WeakPolarHBondContact O-CE2 3.38Å |
| 90 | K | 97.5 | Very high | 94 | Very high | 63 Ų | 63 | 59 Ų | 59 | 27% | 0.274 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 124.8 | 178.5 | -175.3 | 173.7 | -171.4 | 160 | 0 | 110.6 | N37 G38 E39 M79 T80 I82 | N37-K90 WeakPolarHBondContact O-CE 3.3Å; G38-K90 CarbonylContact O-C 3.36Å; G38-K90 WeakPolarHBondContact O-CA 3.35Å; E39-K90 HydrophobicContact CG-CB 4.03Å; E39-K90 HydrophobicContact CG-CD 3.71Å; E39-K90 HydrophobicContact CG-CG 3.75Å; E39-K90 IonicContact OE1-NZ 3.64Å; E39-K90 PolarHBondContact OE1-NZ 3.32Å; M79-K90 CarbonylContact C-O 3.58Å; M79-K90 WeakPolarHBondContact CA-O 3.33Å; M79-K90 VanDerWaalsContact CB-O 3.23Å; M79-K90 WeakPolarHBondContact CB-O 3.44Å; T80-K90 PolarHBondContact N-O 3.41Å; T80-K90 PolarHBondContact O-N 2.94Å; I82-K90 HydrophobicContact CD1-CB 4.27Å; I82-K90 HydrophobicContact CG1-CB 4.18Å |
| 91 | F | 97.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 138.6 | 168.8 | -83.4 | -66.8 | 0 | 0 | 0 | 111 | W15 L18 L19 L22 W33 G38 F40 M79 L96 | W15-F91 HydrophobicContact CB-CE1 4.16Å; L18-F91 HydrophobicContact CB-CZ 4.06Å; L19-F91 HydrophobicContact CD2-CD2 3.87Å; L19-F91 HydrophobicContact CD2-CE1 4.34Å; L19-F91 HydrophobicContact CD2-CE2 3.55Å; L19-F91 HydrophobicContact CD2-CG 4.41Å; L19-F91 HydrophobicContact CD2-CZ 3.8Å; L19-F91 HydrophobicContact CG-CE1 4.22Å; L19-F91 HydrophobicContact CG-CE2 4.05Å; L19-F91 HydrophobicContact CG-CZ 3.77Å; L22-F91 HydrophobicContact CD1-CE2 3.83Å; W33-F91 AromaticContact CH2-CD2 3.73Å; W33-F91 HydrophobicContact CH2-CD2 3.73Å; W33-F91 HydrophobicContact CH2-CE2 4.09Å; W33-F91 AromaticContact CZ3-CD2 3.86Å; W33-F91 HydrophobicContact CZ3-CD2 3.86Å; W33-F91 HydrophobicContact CZ3-CE2 4.44Å; G38-F91 PolarHBondContact O-N 3.15Å; F40-F91 AromaticContact CD1-CD2 3.56Å; F40-F91 HydrophobicContact CD1-CD2 3.56Å; F40-F91 AromaticContact CD1-CE2 3.64Å; F40-F91 HydrophobicContact CD1-CE2 3.64Å; F40-F91 AromaticContact CE1-CD2 3.41Å; F40-F91 HydrophobicContact CE1-CD2 3.41Å; F40-F91 VanDerWaalsContact CE1-CD2 3.41Å; F40-F91 AromaticContact CE1-CE2 3.3Å; F40-F91 HydrophobicContact CE1-CE2 3.3Å; F40-F91 HydrophobicContact CE1-CG 4.18Å; F40-F91 HydrophobicContact CE1-CZ 4Å; F40-F91 HydrophobicContact CG-CE2 4.48Å; F40-F91 HydrophobicContact CZ-CD2 4.42Å; F40-F91 AromaticContact CZ-CE2 3.9Å; F40-F91 HydrophobicContact CZ-CE2 3.9Å; F40-F91 HydrophobicContact CZ-CZ 4.28Å; M79-F91 HydrophobicContact CB-CD1 4.21Å; M79-F91 HydrophobicContact CE-CD1 4.12Å; M79-F91 HydrophobicContact CE-CE1 3.47Å; M79-F91 VanDerWaalsContact CE-CE1 3.47Å; M79-F91 HydrophobicContact CE-CZ 3.93Å; F91-L96 HydrophobicContact CB-CD1 3.54Å; F91-L96 HydrophobicContact CD1-CD1 3.54Å; F91-L96 HydrophobicContact CD1-CD2 4.11Å; F91-L96 HydrophobicContact CD1-CG 4.08Å; F91-L96 HydrophobicContact CE1-CD1 4.5Å; F91-L96 HydrophobicContact CE1-CD2 4.35Å; F91-L96 HydrophobicContact CG-CD1 3.81Å |
| 92 | D | 94.8 | Very high | 92.2 | Very high | 57 Ų | 57 | 64.1 Ų | 64.1 | 31% | 0.305 | 34% | 0.339 | S | S | . | . | trans | -104.3 | 111.7 | 171.8 | 178.1 | -19 | 0 | 0 | 0 | 108.5 | N77 I78 Q94 G95 L96 | N77-D92 VanDerWaalsContact O-CB 3.27Å; N77-D92 WeakPolarHBondContact O-CB 3.4Å; I78-D92 PolarHBondContact O-N 2.76Å; D92-Q94 PolarHBondContact O-N 3.23Å; D92-Q94 WeakPolarHBondContact OD1-CB 3.35Å; D92-Q94 PolarHBondContact OD1-N 3.38Å; D92-G95 PolarHBondContact O-N 3.11Å; D92-L96 VanDerWaalsContact O-CB 3.28Å; D92-L96 WeakPolarHBondContact O-CB 3.31Å; D92-L96 WeakPolarHBondContact O-CD1 3.24Å; D92-L96 WeakPolarHBondContact O-CG 3.18Å; D92-L96 PolarHBondContact O-N 3.24Å | ||
| 93 | F | 90.3 | Very high | 90.6 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 34% | 0.338 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -28.9 | -174.6 | -63.5 | -66.5 | 0 | 0 | 0 | 113 | N37 L96 A97 L133 L136 | N37-F93 HydrophobicContact CB-CE2 4.3Å; F93-L96 HydrophobicContact CD1-CD1 4.31Å; F93-A97 WeakPolarHBondContact O-CB 3.43Å; F93-A97 PolarHBondContact O-N 3.02Å; F93-L133 HydrophobicContact CD1-CD1 4.39Å; F93-L133 HydrophobicContact CD1-CD2 3.83Å; F93-L133 HydrophobicContact CD1-CG 3.94Å; F93-L133 HydrophobicContact CE1-CG 4.26Å; F93-L136 HydrophobicContact CE1-CD1 3.89Å; F93-L136 HydrophobicContact CZ-CD1 4.37Å |
| 94 | Q | 90 | Very high | 88.8 | Confident | 130 Ų | 130 | 60.6 Ų | 60.6 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.9 | -50.1 | -179.8 | -177.9 | 58.9 | 32.6 | 0 | 0 | 110.8 | D92 A97 Q98 | D92-Q94 PolarHBondContact O-N 3.23Å; D92-Q94 WeakPolarHBondContact OD1-CB 3.35Å; D92-Q94 PolarHBondContact OD1-N 3.38Å; Q94-A97 PolarHBondContact O-N 3.33Å; Q94-Q98 PolarHBondContact O-N 3.14Å |
| 95 | G | 91.4 | Very high | 86.5 | Confident | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.1 | -23.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N77 D92 Q98 A99 | N77-G95 WeakPolarHBondContact O-CA 3.42Å; N77-G95 PolarHBondContact O-N 2.7Å; D92-G95 PolarHBondContact O-N 3.11Å; G95-Q98 PolarHBondContact O-N 3.05Å; G95-A99 VanDerWaalsContact O-CB 3.32Å; G95-A99 WeakPolarHBondContact O-CB 3.15Å; G95-A99 PolarHBondContact O-N 3.28Å |
| 96 | L | 90.3 | Very high | 84 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 166.3 | -93.3 | 158 | 0 | 0 | 0 | 112.5 | W15 L19 I78 F91 D92 F93 Q98 A99 C100 | W15-L96 HydrophobicContact CD2-CD2 4.28Å; W15-L96 HydrophobicContact CE3-CD2 3.47Å; W15-L96 VanDerWaalsContact CE3-CD2 3.47Å; W15-L96 HydrophobicContact CZ3-CD2 3.71Å; L19-L96 HydrophobicContact CD1-CD2 3.85Å; I78-L96 HydrophobicContact CG2-CD2 4.46Å; I78-L96 HydrophobicContact CG2-CG 4.4Å; F91-L96 HydrophobicContact CB-CD1 3.54Å; F91-L96 HydrophobicContact CD1-CD1 3.54Å; F91-L96 HydrophobicContact CD1-CD2 4.11Å; F91-L96 HydrophobicContact CD1-CG 4.08Å; F91-L96 HydrophobicContact CE1-CD1 4.5Å; F91-L96 HydrophobicContact CE1-CD2 4.35Å; F91-L96 HydrophobicContact CG-CD1 3.81Å; D92-L96 VanDerWaalsContact O-CB 3.28Å; D92-L96 WeakPolarHBondContact O-CB 3.31Å; D92-L96 WeakPolarHBondContact O-CD1 3.24Å; D92-L96 WeakPolarHBondContact O-CG 3.18Å; D92-L96 PolarHBondContact O-N 3.24Å; F93-L96 HydrophobicContact CD1-CD1 4.31Å; L96-Q98 VanDerWaalsContact C-N 3.28Å; L96-Q98 PolarHBondContact O-N 2.83Å; L96-A99 PolarHBondContact O-N 2.9Å; L96-C100 WeakPolarHBondContact O-CB 3.34Å; L96-C100 PolarHBondContact O-N 2.84Å |
| 97 | A | 88.8 | Confident | 81.5 | Confident | 40 Ų | 40 | 61.4 Ų | 61.4 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F93 Q94 C100 Q101 | F93-A97 WeakPolarHBondContact O-CB 3.43Å; F93-A97 PolarHBondContact O-N 3.02Å; Q94-A97 PolarHBondContact O-N 3.33Å; A97-C100 WeakPolarHBondContact O-CB 3.45Å; A97-C100 PolarHBondContact O-N 3Å; A97-Q101 WeakPolarHBondContact O-CG 3.44Å; A97-Q101 PolarHBondContact O-N 2.7Å |
| 98 | Q | 89.9 | Confident | 78.9 | Confident | 105 Ų | 105 | 63.6 Ų | 63.6 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 174.2 | -66 | 175.4 | -7.3 | 0 | 0 | 112.2 | Q94 G95 L96 C100 Q101 A102 | Q94-Q98 PolarHBondContact O-N 3.14Å; G95-Q98 PolarHBondContact O-N 3.05Å; L96-Q98 VanDerWaalsContact C-N 3.28Å; L96-Q98 PolarHBondContact O-N 2.83Å; Q98-C100 VanDerWaalsContact C-N 3.28Å; Q98-C100 PolarHBondContact O-N 3.29Å; Q98-Q101 PolarHBondContact O-N 3.45Å; Q98-Q101 VanDerWaalsContact O-N 3.17Å; Q98-A102 PolarHBondContact O-N 3.36Å |
| 99 | A | 87.9 | Confident | 76.2 | Confident | 12 Ų | 12 | 71 Ų | 71 | 10% | 0.099 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.2 | -33.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W15 I78 G95 L96 S103 | W15-A99 HydrophobicContact CZ2-CB 4.14Å; I78-A99 HydrophobicContact CD1-CB 3.7Å; I78-A99 HydrophobicContact CG1-CB 3.9Å; G95-A99 VanDerWaalsContact O-CB 3.32Å; G95-A99 WeakPolarHBondContact O-CB 3.15Å; G95-A99 PolarHBondContact O-N 3.28Å; L96-A99 PolarHBondContact O-N 2.9Å; A99-S103 PolarHBondContact O-N 3.43Å; A99-S103 VanDerWaalsContact O-N 3.09Å; A99-S103 PolarHBondContact O-OG 2.98Å |
| 100 | C | 85 | Confident | 73.6 | Confident | 15 Ų | 15 | 73.4 Ų | 73.4 | 10% | 0.101 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 173.3 | -168.3 | 0 | 0 | 0 | 0 | 111.1 | W15 L96 A97 Q98 S103 | W15-C100 HydrophobicContact CH2-CB 4.48Å; L96-C100 WeakPolarHBondContact O-CB 3.34Å; L96-C100 PolarHBondContact O-N 2.84Å; A97-C100 WeakPolarHBondContact O-CB 3.45Å; A97-C100 PolarHBondContact O-N 3Å; Q98-C100 VanDerWaalsContact C-N 3.28Å; Q98-C100 PolarHBondContact O-N 3.29Å; C100-S103 PolarHBondContact O-N 3.45Å; C100-S103 PolarHBondContact O-OG 2.92Å |
| 101 | Q | 78.6 | Confident | 71.3 | Confident | 130 Ų | 130 | 79.2 Ų | 79.2 | 61% | 0.607 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.2 | -43.6 | 176.3 | -66.9 | 176.3 | 31.3 | 0 | 0 | 111.9 | A97 Q98 S103 L104 | A97-Q101 WeakPolarHBondContact O-CG 3.44Å; A97-Q101 PolarHBondContact O-N 2.7Å; Q98-Q101 PolarHBondContact O-N 3.45Å; Q98-Q101 VanDerWaalsContact O-N 3.17Å; Q101-S103 PolarHBondContact O-N 2.76Å; Q101-L104 VanDerWaalsContact O-CB 3.29Å; Q101-L104 WeakPolarHBondContact O-CB 3.46Å; Q101-L104 WeakPolarHBondContact O-CG 3.29Å; Q101-L104 PolarHBondContact O-N 2.77Å |
| 102 | A | 76.8 | Confident | 69.3 | Low | 85 Ų | 85 | 81 Ų | 81 | 70% | 0.702 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.8 | -19.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q98 L104 | Q98-A102 PolarHBondContact O-N 3.36Å; A102-L104 VanDerWaalsContact C-N 3.27Å |
| 103 | S | 64.4 | Low | 67.2 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 29% | 0.287 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.3 | 173.2 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | A99 C100 Q101 | A99-S103 PolarHBondContact O-N 3.43Å; A99-S103 VanDerWaalsContact O-N 3.09Å; A99-S103 PolarHBondContact O-OG 2.98Å; C100-S103 PolarHBondContact O-N 3.45Å; C100-S103 PolarHBondContact O-OG 2.92Å; Q101-S103 PolarHBondContact O-N 2.76Å |
| 104 | L | 57.1 | Low | 65.4 | Low | 81 Ų | 81 | 86.5 Ų | 86.5 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -75 | 127.2 | 168 | -57.6 | 172.5 | 0 | 0 | 0 | 107.8 | Q101 A102 E106 A126 | Q101-L104 VanDerWaalsContact O-CB 3.29Å; Q101-L104 WeakPolarHBondContact O-CB 3.46Å; Q101-L104 WeakPolarHBondContact O-CG 3.29Å; Q101-L104 PolarHBondContact O-N 2.77Å; A102-L104 VanDerWaalsContact C-N 3.27Å; L104-E106 PolarHBondContact O-N 2.95Å; L104-A126 HydrophobicContact CD2-CB 3.65Å |
| 105 | P | 49.5 | Very low | 63.7 | Low | 80 Ų | 80 | 84.8 Ų | 84.8 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | trans | -58 | 114.5 | 166.7 | 22.5 | -28.2 | 0 | 0 | 0 | 107.1 | F107 | P105-F107 HydrophobicContact CG-CD2 4.49Å; P105-F107 PolarHBondContact O-N 2.8Å | ||
| 106 | E | 42.3 | Very low | 62 | Low | 185 Ų | 185 | 90.5 Ų | 90.5 | 86% | 0.864 | 52% | 0.516 | S | S | * | . | trans | -58.2 | 95.7 | 166.5 | -172.7 | 176.6 | 145.8 | 0 | 0 | 105.7 | L104 P108 | L104-E106 PolarHBondContact O-N 2.95Å; E106-P108 WeakPolarHBondContact O-CD 3.39Å | ||
| 107 | F | 45.5 | Very low | 60.5 | Low | 113 Ų | 113 | 93.5 Ų | 93.5 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | trans | -73.7 | 111 | 172.7 | -112.8 | -92.3 | 0 | 0 | 0 | 105.7 | P105 L109 P110 | P105-F107 HydrophobicContact CG-CD2 4.49Å; P105-F107 PolarHBondContact O-N 2.8Å; F107-L109 PolarHBondContact O-N 2.97Å; F107-L109 VanDerWaalsContact O-N 3.1Å; F107-P110 HydrophobicContact CD1-CG 3.92Å; F107-P110 HydrophobicContact CE1-CG 4.11Å | ||
| 108 | P | 43.9 | Very low | 58.9 | Low | 108 Ų | 108 | 96.5 Ų | 96.5 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | trans | -63.6 | 117 | 161.4 | -6.3 | 24.8 | 0 | 0 | 0 | 104.5 | E106 P110 | E106-P108 WeakPolarHBondContact O-CD 3.39Å; P108-P110 WeakPolarHBondContact O-CD 3.38Å; P108-P110 WeakPolarHBondContact O-CG 3.47Å | ||
| 109 | L | 40.6 | Very low | 57.2 | Low | 155 Ų | 155 | 94.8 Ų | 94.8 | 81% | 0.812 | 54% | 0.542 | S | S | * | . | trans | -44.2 | 109.5 | -177.3 | -64.3 | -176.1 | 0 | 0 | 0 | 110.3 | F107 I111 | F107-L109 PolarHBondContact O-N 2.97Å; F107-L109 VanDerWaalsContact O-N 3.1Å; L109-I111 PolarHBondContact O-N 2.73Å | ||
| 110 | P | 44 | Very low | 55.8 | Low | 57 Ų | 57 | 99.8 Ų | 99.8 | 37% | 0.37 | 56% | 0.562 | S | S | . | * | trans | -81.6 | 115.7 | 171.7 | -4.7 | 23.4 | 0 | 0 | 0 | 106.4 | F107 P108 G112 Y114 | F107-P110 HydrophobicContact CD1-CG 3.92Å; F107-P110 HydrophobicContact CE1-CG 4.11Å; P108-P110 WeakPolarHBondContact O-CD 3.38Å; P108-P110 WeakPolarHBondContact O-CG 3.47Å; P110-G112 PolarHBondContact O-N 2.9Å; P110-Y114 HydrophobicContact CB-CD1 4.44Å; P110-Y114 HydrophobicContact CB-CE1 4.23Å; P110-Y114 HydrophobicContact CG-CD1 4.32Å; P110-Y114 HydrophobicContact CG-CE1 3.95Å | ||
| 111 | I | 48.8 | Very low | 54.4 | Low | 185 Ų | 185 | 102.3 Ų | 102.3 | 95% | 0.949 | 58% | 0.58 | S | S | * | * | trans | -65.5 | 86.6 | 162.6 | -55.6 | 171 | 0 | 0 | 0 | 105.8 | L109 | L109-I111 PolarHBondContact O-N 2.73Š| ||
| 112 | G | 56.1 | Low | 53.3 | Low | 39 Ų | 39 | 100 Ų | 100 | 40% | 0.402 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -174.6 | 150 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P110 Y114 | P110-G112 PolarHBondContact O-N 2.9Å; G112-Y114 WeakPolarHBondContact O-CD1 3.48Å; G112-Y114 PolarHBondContact O-N 3.29Å |
| 113 | P | 50.4 | Low | 52.2 | Low | 144 Ų | 144 | 104.1 Ų | 104.1 | 94% | 0.935 | 57% | 0.57 | S | S | * | * | trans | -80.6 | 87.4 | -172 | 33.2 | -31.8 | 0 | 0 | 0 | 109.5 | ||||
| 114 | Y | 51.8 | Low | 52 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 42% | 0.42 | 59% | 0.585 | S | S | . | * | trans | -97.4 | 148.4 | 170.3 | 53.8 | -95.2 | 0 | 0 | 0 | 111.7 | P110 G112 L119 | P110-Y114 HydrophobicContact CB-CD1 4.44Å; P110-Y114 HydrophobicContact CB-CE1 4.23Å; P110-Y114 HydrophobicContact CG-CD1 4.32Å; P110-Y114 HydrophobicContact CG-CE1 3.95Å; G112-Y114 WeakPolarHBondContact O-CD1 3.48Å; G112-Y114 PolarHBondContact O-N 3.29Å; Y114-L119 HydrophobicContact CD2-CD1 4.14Å; Y114-L119 HydrophobicContact CE2-CD1 3.51Å; Y114-L119 HydrophobicContact CE2-CD2 4.34Å | ||
| 115 | T | 54.5 | Low | 51.9 | Low | 93 Ų | 93 | 112.3 Ų | 112.3 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | trans | -67.5 | 129.1 | -176.5 | 45.2 | 0 | 0 | 0 | 0 | 111.2 | S117 | T115-S117 PolarHBondContact O-N 3.25Š| ||
| 116 | T | 56.6 | Low | 52.2 | Low | 122 Ų | 122 | 109.3 Ų | 109.3 | 75% | 0.748 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.3 | -14.5 | -175.7 | 53.6 | 0 | 0 | 0 | 0 | 114.5 | F120 | T116-F120 PolarHBondContact O-N 3.44Å |
| 117 | S | 57.9 | Low | 53 | Low | 66 Ų | 66 | 103.1 Ų | 103.1 | 46% | 0.462 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -39.6 | -175.7 | 48.1 | 0 | 0 | 0 | 0 | 114.2 | T115 S121 | T115-S117 PolarHBondContact O-N 3.25Å; S117-S121 PolarHBondContact O-N 2.8Å; S117-S121 PolarHBondContact O-OG 2.92Å; S117-S121 VanDerWaalsContact O-OG 3.1Å |
| 118 | D | 55.5 | Low | 53.6 | Low | 103 Ų | 103 | 100.1 Ų | 100.1 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -79.5 | -33.8 | -175.7 | -61.4 | -58.7 | 0 | 0 | 0 | 111.6 | F120 S121 N122 | D118-F120 VanDerWaalsContact C-N 3.29Å; D118-F120 PolarHBondContact O-N 2.83Å; D118-S121 PolarHBondContact O-N 2.77Å; D118-N122 PolarHBondContact O-N 3.22Å |
| 119 | L | 54.7 | Low | 54.4 | Low | 69 Ų | 69 | 96.8 Ų | 96.8 | 36% | 0.361 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 173 | -126.1 | 75.4 | 0 | 0 | 0 | 111 | Y114 S121 Y123 | Y114-L119 HydrophobicContact CD2-CD1 4.14Å; Y114-L119 HydrophobicContact CE2-CD1 3.51Å; Y114-L119 HydrophobicContact CE2-CD2 4.34Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.37Å; L119-Y123 WeakPolarHBondContact O-CD2 3.14Å; L119-Y123 PolarHBondContact O-N 3.35Å; L119-Y123 VanDerWaalsContact O-N 3.15Å |
| 120 | F | 56.8 | Low | 55.2 | Low | 117 Ų | 117 | 95.1 Ų | 95.1 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.8 | -32.1 | -176.8 | -168.9 | -125.4 | 0 | 0 | 0 | 112.6 | T116 D118 R124 | T116-F120 PolarHBondContact O-N 3.44Å; D118-F120 VanDerWaalsContact C-N 3.29Å; D118-F120 PolarHBondContact O-N 2.83Å; F120-R124 HydrophobicContact CD1-CG 4.46Å; F120-R124 HydrophobicContact CE1-CG 4.44Å; F120-R124 HydrophobicContact CZ-CG 4.43Å; F120-R124 VanDerWaalsContact CZ-NE 3.28Å; F120-R124 VanDerWaalsContact O-CB 3.23Å; F120-R124 WeakPolarHBondContact O-CB 3.34Å; F120-R124 VanDerWaalsContact O-CG 3.23Å; F120-R124 WeakPolarHBondContact O-CG 3.04Å; F120-R124 PolarHBondContact O-N 3.29Å |
| 121 | S | 57.3 | Low | 55.8 | Low | 68 Ų | 68 | 94.8 Ų | 94.8 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.2 | -43 | -179.8 | -63 | 0 | 0 | 0 | 0 | 112.2 | S117 D118 L119 R124 H125 | S117-S121 PolarHBondContact O-N 2.8Å; S117-S121 PolarHBondContact O-OG 2.92Å; S117-S121 VanDerWaalsContact O-OG 3.1Å; D118-S121 PolarHBondContact O-N 2.77Å; L119-S121 VanDerWaalsContact C-N 3.31Å; L119-S121 PolarHBondContact O-N 3.37Å; S121-R124 PolarHBondContact O-N 3.03Å; S121-H125 PolarHBondContact O-N 3.43Å |
| 122 | N | 55 | Low | 56.3 | Low | 82 Ų | 82 | 92.3 Ų | 92.3 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 177.7 | -73.3 | -17.1 | 0 | 0 | 0 | 112.1 | D118 R124 H125 A126 | D118-N122 PolarHBondContact O-N 3.22Å; N122-R124 VanDerWaalsContact C-N 3.33Å; N122-R124 PolarHBondContact O-N 2.75Å; N122-H125 PolarHBondContact O-N 2.97Å; N122-A126 PolarHBondContact O-N 3.41Å |
| 123 | Y | 54.5 | Low | 56.4 | Low | 171 Ų | 171 | 92.7 Ų | 92.7 | 67% | 0.671 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 172.2 | -97 | -88.8 | 0 | 0 | 0 | 112.1 | L119 H125 A126 A127 | L119-Y123 WeakPolarHBondContact O-CD2 3.14Å; L119-Y123 PolarHBondContact O-N 3.35Å; L119-Y123 VanDerWaalsContact O-N 3.15Å; Y123-H125 VanDerWaalsContact C-N 3.28Å; Y123-H125 PolarHBondContact O-N 2.81Å; Y123-A126 PolarHBondContact O-N 3.19Å; Y123-A127 WeakPolarHBondContact O-CB 3.5Å; Y123-A127 PolarHBondContact O-N 3.01Å |
| 124 | R | 59.4 | Low | 56.8 | Low | 158 Ų | 158 | 92.2 Ų | 92.2 | 60% | 0.596 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.3 | -39.3 | 174.3 | -86.6 | -179.2 | 169 | -171.4 | -2.1 | 111.8 | F120 S121 N122 A128 | F120-R124 HydrophobicContact CD1-CG 4.46Å; F120-R124 HydrophobicContact CE1-CG 4.44Å; F120-R124 HydrophobicContact CZ-CG 4.43Å; F120-R124 VanDerWaalsContact CZ-NE 3.28Å; F120-R124 VanDerWaalsContact O-CB 3.23Å; F120-R124 WeakPolarHBondContact O-CB 3.34Å; F120-R124 VanDerWaalsContact O-CG 3.23Å; F120-R124 WeakPolarHBondContact O-CG 3.04Å; F120-R124 PolarHBondContact O-N 3.29Å; S121-R124 PolarHBondContact O-N 3.03Å; N122-R124 VanDerWaalsContact C-N 3.33Å; N122-R124 PolarHBondContact O-N 2.75Å; R124-A128 WeakPolarHBondContact O-CA 3.37Å; R124-A128 WeakPolarHBondContact O-CB 3.39Å; R124-A128 PolarHBondContact O-N 3.48Å |
| 125 | H | 54.3 | Low | 56.8 | Low | 136 Ų | 136 | 91.7 Ų | 91.7 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.4 | -46.1 | 179.6 | -146.5 | 90.1 | 0 | 0 | 0 | 111.5 | S121 N122 Y123 A128 V129 | S121-H125 PolarHBondContact O-N 3.43Å; N122-H125 PolarHBondContact O-N 2.97Å; Y123-H125 VanDerWaalsContact C-N 3.28Å; Y123-H125 PolarHBondContact O-N 2.81Å; H125-A128 PolarHBondContact O-N 3.05Å; H125-V129 WeakPolarHBondContact O-CG2 3.33Å; H125-V129 PolarHBondContact O-N 3.4Å |
| 126 | A | 56.8 | Low | 56.7 | Low | 17 Ų | 17 | 90.2 Ų | 90.2 | 14% | 0.14 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L104 N122 Y123 A128 V129 Q130 | L104-A126 HydrophobicContact CD2-CB 3.65Å; N122-A126 PolarHBondContact O-N 3.41Å; Y123-A126 PolarHBondContact O-N 3.19Å; A126-A128 VanDerWaalsContact C-N 3.32Å; A126-A128 PolarHBondContact O-N 3.43Å; A126-V129 PolarHBondContact O-N 2.87Å; A126-Q130 WeakPolarHBondContact O-CB 3.13Å; A126-Q130 PolarHBondContact O-N 3.39Å |
| 127 | A | 58.1 | Low | 56.1 | Low | 56 Ų | 56 | 89.5 Ų | 89.5 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y123 Q130 A131 | Y123-A127 WeakPolarHBondContact O-CB 3.5Å; Y123-A127 PolarHBondContact O-N 3.01Å; A127-Q130 PolarHBondContact O-N 3.11Å; A127-A131 WeakPolarHBondContact O-CB 3.43Å; A127-A131 PolarHBondContact O-N 3.46Å |
| 128 | A | 59.7 | Low | 55.4 | Low | 49 Ų | 49 | 91.6 Ų | 91.6 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R124 H125 A126 K132 | R124-A128 WeakPolarHBondContact O-CA 3.37Å; R124-A128 WeakPolarHBondContact O-CB 3.39Å; R124-A128 PolarHBondContact O-N 3.48Å; H125-A128 PolarHBondContact O-N 3.05Å; A126-A128 VanDerWaalsContact C-N 3.32Å; A126-A128 PolarHBondContact O-N 3.43Å; A128-K132 VanDerWaalsContact O-CB 3.3Å; A128-K132 WeakPolarHBondContact O-CB 2.97Å; A128-K132 WeakPolarHBondContact O-CG 3.43Å; A128-K132 PolarHBondContact O-N 3.33Å |
| 129 | V | 59.4 | Low | 55 | Low | 38 Ų | 38 | 90.6 Ų | 90.6 | 23% | 0.23 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | H125 A126 K132 L133 | H125-V129 WeakPolarHBondContact O-CG2 3.33Å; H125-V129 PolarHBondContact O-N 3.4Å; A126-V129 PolarHBondContact O-N 2.87Å; V129-K132 PolarHBondContact O-N 3.15Å; V129-L133 PolarHBondContact O-N 3.1Å |
| 130 | Q | 58.7 | Low | 54.4 | Low | 120 Ų | 120 | 91.7 Ų | 91.7 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 178.7 | -162.3 | 160.5 | -18.1 | 0 | 0 | 111.8 | A126 A127 L133 I134 | A126-Q130 WeakPolarHBondContact O-CB 3.13Å; A126-Q130 PolarHBondContact O-N 3.39Å; A127-Q130 PolarHBondContact O-N 3.11Å; Q130-L133 PolarHBondContact O-N 3.3Å; Q130-I134 HydrophobicContact CG-CD1 4.46Å; Q130-I134 WeakPolarHBondContact O-CD1 3.23Å; Q130-I134 VanDerWaalsContact O-CG1 3.27Å; Q130-I134 WeakPolarHBondContact O-CG1 3.23Å; Q130-I134 PolarHBondContact O-N 3.37Å; Q130-I134 VanDerWaalsContact O-N 3.13Å |
| 131 | A | 55.8 | Low | 53.9 | Low | 50 Ų | 50 | 93.6 Ų | 93.6 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A127 I134 C135 | A127-A131 WeakPolarHBondContact O-CB 3.43Å; A127-A131 PolarHBondContact O-N 3.46Å; A131-I134 PolarHBondContact O-N 3.42Å; A131-C135 WeakPolarHBondContact O-CB 3.44Å; A131-C135 PolarHBondContact O-N 3.26Å; A131-C135 PolarHBondContact O-SG 2.93Å |
| 132 | K | 58.7 | Low | 52.8 | Low | 134 Ų | 134 | 93.8 Ų | 93.8 | 58% | 0.583 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -38.7 | 174.3 | -84.4 | -177.6 | 176.2 | -166.6 | 0 | 112.2 | A128 V129 I134 C135 L136 | A128-K132 VanDerWaalsContact O-CB 3.3Å; A128-K132 WeakPolarHBondContact O-CB 2.97Å; A128-K132 WeakPolarHBondContact O-CG 3.43Å; A128-K132 PolarHBondContact O-N 3.33Å; V129-K132 PolarHBondContact O-N 3.15Å; K132-I134 VanDerWaalsContact C-N 3.31Å; K132-I134 PolarHBondContact O-N 3.34Å; K132-C135 CarbonylContact O-C 3.58Å; K132-C135 PolarHBondContact O-N 3.1Å; K132-L136 PolarHBondContact O-N 3.42Å; K132-L136 VanDerWaalsContact O-N 3.14Å |
| 133 | L | 59.3 | Low | 52 | Low | 46 Ų | 46 | 98.4 Ų | 98.4 | 24% | 0.241 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -64.4 | -37.6 | 177.1 | -140.9 | 85.4 | 0 | 0 | 0 | 111.8 | F93 V129 Q130 | F93-L133 HydrophobicContact CD1-CD1 4.39Å; F93-L133 HydrophobicContact CD1-CD2 3.83Å; F93-L133 HydrophobicContact CD1-CG 3.94Å; F93-L133 HydrophobicContact CE1-CG 4.26Å; V129-L133 PolarHBondContact O-N 3.1Å; Q130-L133 PolarHBondContact O-N 3.3Å |
| 134 | I | 58.5 | Low | 51.4 | Low | 134 Ų | 134 | 97.9 Ų | 97.9 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -73.2 | -31.6 | 177.4 | -64.5 | 163.6 | 0 | 0 | 0 | 111.5 | Q130 A131 K132 | Q130-I134 HydrophobicContact CG-CD1 4.46Å; Q130-I134 WeakPolarHBondContact O-CD1 3.23Å; Q130-I134 VanDerWaalsContact O-CG1 3.27Å; Q130-I134 WeakPolarHBondContact O-CG1 3.23Å; Q130-I134 PolarHBondContact O-N 3.37Å; Q130-I134 VanDerWaalsContact O-N 3.13Å; A131-I134 PolarHBondContact O-N 3.42Å; K132-I134 VanDerWaalsContact C-N 3.31Å; K132-I134 PolarHBondContact O-N 3.34Å |
| 135 | C | 50.4 | Low | 50 | Low | 97 Ų | 97 | 96 Ų | 96 | 66% | 0.655 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 13.2 | -177.3 | -67.5 | 0 | 0 | 0 | 0 | 114.5 | A131 K132 | A131-C135 WeakPolarHBondContact O-CB 3.44Å; A131-C135 PolarHBondContact O-N 3.26Å; A131-C135 PolarHBondContact O-SG 2.93Å; K132-C135 CarbonylContact O-C 3.58Å; K132-C135 PolarHBondContact O-N 3.1Å |
| 136 | L | 53 | Low | 49.5 | Very low | 61 Ų | 61 | 97.2 Ų | 97.2 | 32% | 0.319 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 121.7 | 172 | -80 | 162.4 | 0 | 0 | 0 | 108.7 | W33 F93 K132 | W33-L136 HydrophobicContact CZ2-CD2 4.05Å; F93-L136 HydrophobicContact CE1-CD1 3.89Å; F93-L136 HydrophobicContact CZ-CD1 4.37Å; K132-L136 PolarHBondContact O-N 3.42Å; K132-L136 VanDerWaalsContact O-N 3.14Å |
| 137 | P | 43.7 | Very low | 48.8 | Very low | 108 Ų | 108 | 102.7 Ų | 102.7 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135.8 | -175.9 | 25 | -33.1 | 0 | 0 | 0 | 109.8 | S139 | P137-S139 PolarHBondContact O-N 3.06Š|
| 138 | P | 43.2 | Very low | 47.6 | Very low | 109 Ų | 109 | 104.6 Ų | 104.6 | 71% | 0.708 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 128.6 | 167.2 | 26.9 | -30.6 | 0 | 0 | 0 | 107.5 | A140 | P138-A140 PolarHBondContact O-N 2.84Š|
| 139 | S | 47.1 | Very low | 46.6 | Very low | 83 Ų | 83 | 109.7 Ų | 109.7 | 58% | 0.58 | 65% | 0.647 | S | S | * | * | trans | -44.7 | 131.2 | -177.4 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | P137 N141 | P137-S139 PolarHBondContact O-N 3.06Å; S139-N141 VanDerWaalsContact C-N 3.29Å; S139-N141 PolarHBondContact O-N 3.19Å | ||
| 140 | A | 43.6 | Very low | 45.7 | Very low | 92 Ų | 92 | 117 Ų | 117 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -67.6 | 85.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P138 | P138-A140 PolarHBondContact O-N 2.84Š|
| 141 | N | 45.9 | Very low | 44.8 | Very low | 156 Ų | 156 | 116.4 Ų | 116.4 | 83% | 0.834 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -169.8 | 100.1 | 154.6 | -93.1 | -24.4 | 0 | 0 | 0 | 110.4 | S139 | S139-N141 VanDerWaalsContact C-N 3.29Å; S139-N141 PolarHBondContact O-N 3.19Å |
| 142 | G | 34.7 | Very low | 43.9 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | trans | 62.7 | 112 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 143 | Q | 38 | Very low | 42.7 | Very low | 178 Ų | 178 | 121 Ų | 121 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | 91.9 | 110.5 | 147.9 | -59.9 | -178.7 | -26.2 | 0 | 0 | 119.8 | ||||
| 144 | Q | 40.5 | Very low | 41.5 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 82.3 | 97.6 | 142.2 | -65.6 | -177.2 | 54.3 | 0 | 0 | 117.9 | ||||
| 145 | T | 31.4 | Very low | 40.2 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | 80.6 | 135.3 | 88.9 | 51.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 146 | I | 42.3 | Very low | 39.6 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | 88.1 | 105.4 | 175 | -51.9 | 162.1 | 0 | 0 | 0 | 111.6 | ||||
| 147 | V | 41.9 | Very low | 39.1 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | cis | -149.9 | 111.4 | 28.9 | -88.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 148 | A | 33.5 | Very low | 39 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -104.9 | 73.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 149 | N | 38.6 | Very low | 38.7 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -155 | 74.9 | 174.2 | -84.7 | -34.8 | 0 | 0 | 0 | 110.5 | ||||
| 150 | H | 40.1 | Very low | 38.3 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -172.8 | 6 | 148.1 | -121.2 | -128.1 | 0 | 0 | 0 | 116 | K152 | H150-K152 VanDerWaalsContact C-N 3.29Å; H150-K152 PolarHBondContact O-N 2.98Å |
| 151 | A | 40.9 | Very low | 38.2 | Very low | 107 Ų | 107 | 139 Ų | 139 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | trans | -90.4 | 55.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 152 | K | 37.2 | Very low | 37.8 | Very low | 211 Ų | 211 | 139.8 Ų | 139.8 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -132.1 | 89.7 | 162.7 | -72.9 | -163.8 | 179.7 | -176 | 0 | 107.3 | H150 | H150-K152 VanDerWaalsContact C-N 3.29Å; H150-K152 PolarHBondContact O-N 2.98Å | ||
| 153 | G | 34.1 | Very low | 37.8 | Very low | 68 Ų | 68 | 145.2 Ų | 145.2 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -177.6 | -8.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 154 | L | 32.7 | Very low | 37.8 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 95% | 0.948 | 82% | 0.822 | S | S | * | * | trans | -135.2 | 63.7 | -170.9 | -64.3 | 172.2 | 0 | 0 | 0 | 112.8 | ||||
| 155 | C | 31.9 | Very low | 37.6 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -149.7 | 67.1 | 157.7 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 156 | N | 37.1 | Very low | 37.7 | Very low | 164 Ų | 164 | 144 Ų | 144 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -125.9 | 95.5 | 161.6 | -93.9 | -6.9 | 0 | 0 | 0 | 107.7 | P158 | N156-P158 WeakPolarHBondContact O-CD 3.19Š| ||
| 157 | I | 43.3 | Very low | 37.5 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -87.2 | 112.2 | 168.2 | -58 | 172.5 | 0 | 0 | 0 | 105.6 | ||||
| 158 | P | 40.4 | Very low | 37.1 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 147.9 | 175.9 | 31.1 | -31.4 | 0 | 0 | 0 | 111 | N156 | N156-P158 WeakPolarHBondContact O-CD 3.19Š|
| 159 | P | 38.1 | Very low | 37.2 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 160.3 | 178.1 | 33.6 | -32 | 0 | 0 | 0 | 112.1 | ||
| 160 | I | 39.3 | Very low | 37 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 89% | 0.892 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 135.9 | -175 | -60.7 | 166.7 | 0 | 0 | 0 | 112.8 | ||
| 161 | G | 39.8 | Very low | 36.8 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -163.7 | 139.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 162 | H | 38 | Very low | 36.2 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 157.5 | -164.3 | -64.5 | 178.5 | 0 | 0 | 0 | 116.4 | ||||
| 163 | H | 34.4 | Very low | 35.7 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | 8.6 | 113.7 | 152.2 | -64.4 | -100.2 | 0 | 0 | 0 | 118.3 | ||||
| 164 | H | 39.1 | Very low | 35.7 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -166.4 | 141.9 | 132.5 | -151.8 | -110.5 | 0 | 0 | 0 | 111.9 | ||||
| 165 | V | 35.1 | Very low | 35.8 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | -61.8 | 134.8 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 166 | V | 34.5 | Very low | 36.1 | Very low | 125 Ų | 125 | 152.1 Ų | 152.1 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | trans | -179.8 | 123.7 | 142.8 | 137.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 167 | S | 37.2 | Very low | 36.1 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 52.6 | 120.1 | 144.3 | -49.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 168 | Q | 33.8 | Very low | 36.2 | Very low | 166 Ų | 166 | 145.4 Ų | 145.4 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -59.3 | 161.2 | 166.3 | -66 | -172.8 | -11.5 | 0 | 0 | 113 | ||||
| 169 | P | 36.1 | Very low | 35.9 | Very low | 129 Ų | 129 | 147.6 Ų | 147.6 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -123.4 | 144.1 | 124.3 | 26.2 | -12.4 | 0 | 0 | 0 | 113.3 | |||||
| 170 | K | 33.2 | Very low | 36.3 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | trans | -69.2 | 154.1 | -177.9 | -70 | 172 | 170.2 | 176.5 | 0 | 113.1 | ||||
| 171 | N | 35.9 | Very low | 36.1 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | trans | 76.6 | 106.7 | 152.6 | -57 | -16.8 | 0 | 0 | 0 | 118.4 | ||||
| 172 | Y | 28.9 | Very low | 36.2 | Very low | 206 Ų | 206 | 148.3 Ų | 148.3 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | S | Bend | -152.1 | 122.7 | 129.5 | -116.5 | -85 | 0 | 0 | 0 | 108.4 | |||
| 173 | W | 26.9 | Very low | 36.2 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 81.4 | 91.8 | 177.7 | -44.6 | 105 | 0 | 0 | 0 | 116.5 | ||||
| 174 | S | 34.2 | Very low | 36.3 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -134.1 | 130.8 | 154.8 | -64.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 175 | E | 35.4 | Very low | 36.7 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -58.8 | 166.4 | -175.6 | -56 | -165.5 | 118.2 | 0 | 0 | 114.8 | ||||
| 176 | P | 38.5 | Very low | 37.3 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -96.4 | 126.7 | 166.7 | 34.3 | -24.6 | 0 | 0 | 0 | 112.6 | ||||
| 177 | G | 36.9 | Very low | 37.7 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 143.4 | 155.8 | 151 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 178 | P | 43.9 | Very low | 38.1 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | cis | -141.6 | 175.9 | 3.9 | 45.1 | -27.1 | 0 | 0 | 0 | 116 | ||||
| 179 | L | 34.1 | Very low | 38.6 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 61.5 | 120.8 | 161 | -51 | -179.9 | 0 | 0 | 0 | 119.9 | ||||
| 180 | T | 46.1 | Very low | 39.5 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | 179.4 | 137.4 | 122.9 | 41 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 181 | T | 36.3 | Very low | 40.6 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -66.8 | 145.8 | 179.6 | -53.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 182 | S | 41.2 | Very low | 41 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | trans | 147.6 | 111.2 | 130.1 | -176.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 183 | L | 39.2 | Very low | 42.2 | Very low | 150 Ų | 150 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 64.3 | 134.6 | 132.8 | -67.4 | 165.4 | 0 | 0 | 0 | 124.1 | ||||
| 184 | Y | 36.4 | Very low | 43 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | 75.5 | 134 | 153.3 | -103 | -111.5 | 0 | 0 | 0 | 116.9 | ||||
| 185 | A | 46 | Very low | 44.1 | Very low | 69 Ų | 69 | 142.7 Ų | 142.7 | 57% | 0.57 | 80% | 0.795 | S | S | * | * | cis | -161.7 | 151.1 | 19.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 186 | Q | 48.1 | Very low | 44.9 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | 44.4 | 144.8 | 135 | -62.9 | 176 | -19 | 0 | 0 | 120.3 | ||||
| 187 | A | 42.6 | Very low | 45.7 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | cis | 174.2 | 141.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 188 | F | 46.4 | Very low | 46.4 | Very low | 222 Ų | 222 | 139.9 Ų | 139.9 | 97% | 0.974 | 78% | 0.783 | S | S | * | * | trans | -172.2 | 120.1 | 141.2 | -83.5 | -56.7 | 0 | 0 | 0 | 109.2 | ||||
| 189 | S | 44.8 | Very low | 46.9 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -80.5 | 146.2 | 179.7 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 190 | T | 54.7 | Low | 47.9 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -140.1 | 134.6 | 149 | 49 | 0 | 0 | 0 | 0 | 111 | ||||
| 191 | T | 56.8 | Low | 48.2 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -78.9 | 153.3 | -168.9 | -44.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 192 | P | 43 | Very low | 49.2 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -93.3 | 141.4 | 172.3 | 35.1 | -29.3 | 0 | 0 | 0 | 112.1 | ||||
| 193 | Q | 54.4 | Low | 49.6 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -133.4 | 134.7 | 165.9 | -80.7 | -66 | -1.1 | 0 | 0 | 112.1 | ||||
| 194 | R | 44.9 | Very low | 50.1 | Low | 220 Ų | 220 | 152.4 Ų | 152.4 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -86.6 | 133.6 | -178.1 | 166.8 | -161.1 | -98.6 | -172.3 | -7.4 | 109.4 | ||||
| 195 | I | 55.9 | Low | 50.9 | Low | 165 Ų | 165 | 149.8 Ų | 149.8 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -138.5 | 131 | 156.3 | -62 | -177.1 | 0 | 0 | 0 | 109.7 | ||||
| 196 | T | 52.6 | Low | 51.1 | Low | 118 Ų | 118 | 154.3 Ų | 154.3 | 72% | 0.724 | 82% | 0.816 | S | S | * | * | trans | -79.5 | 147.1 | 177.6 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 197 | S | 55.9 | Low | 51.3 | Low | 117 Ų | 117 | 153.2 Ų | 153.2 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -158.1 | 138.6 | 141.4 | -161.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 198 | S | 51.6 | Low | 51.9 | Low | 100 Ų | 100 | 158.3 Ų | 158.3 | 70% | 0.699 | 83% | 0.831 | S | S | * | * | trans | -65.6 | 149.7 | -178.1 | 54.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 199 | L | 54.9 | Low | 52.2 | Low | 180 Ų | 180 | 154.1 Ų | 154.1 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | trans | -152.6 | 133.3 | 140.5 | -101.4 | 160.7 | 0 | 0 | 0 | 109.4 | ||||
| 200 | V | 53.2 | Low | 52.8 | Low | 123 Ų | 123 | 157.3 Ų | 157.3 | 75% | 0.745 | 83% | 0.825 | S | S | * | * | trans | -75.7 | 147.4 | -173.8 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 201 | Y | 52.8 | Low | 52.6 | Low | 213 Ų | 213 | 158.1 Ų | 158.1 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | -176.3 | 134.1 | 138.7 | -117.6 | -88.9 | 0 | 0 | 0 | 113.1 | ||||
| 202 | D | 56.9 | Low | 52.3 | Low | 135 Ų | 135 | 161.3 Ų | 161.3 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | 50.3 | 104.6 | 154 | -108.3 | -96.5 | 0 | 0 | 0 | 121.9 | ||||
| 203 | K | 51 | Low | 53.1 | Low | 269 Ų | 269 | 165.5 Ų | 165.5 | 100% | 1.17 | 83% | 0.834 | S | S | * | * | 165.9 | 0 | 94 | -156.7 | 178.6 | -174.1 | -176.2 | 0 | 111.1 |
Retrieved 203 of 203 residues in 173.5 ms
(Link to these results)