| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.4 | Very low | 77.2 | Confident | 243 Ų | 243 | 80.7 Ų | 80.7 | 100% | 1.197 | 46% | 0.459 | S | S | * | . | 0 | 109.8 | 0 | -62.5 | -169.3 | -166 | 0 | 0 | 106.4 | G3 | M1-G3 PolarHBondContact O-N 3.04Š| |||
| 2 | S | 42.9 | Very low | 79 | Confident | 128 Ų | 128 | 74 Ų | 74 | 90% | 0.895 | 42% | 0.421 | S | S | * | . | trans | -76.3 | 92.8 | 180 | -170.6 | 0 | 0 | 0 | 0 | 107.4 | K4 | S2-K4 PolarHBondContact O-N 3.17Š| ||
| 3 | G | 56 | Low | 80.5 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 69% | 0.691 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 122.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | M1 S5 | M1-G3 PolarHBondContact O-N 3.04Å; G3-S5 PolarHBondContact O-N 3.21Å |
| 4 | K | 59 | Low | 81.8 | Confident | 208 Ų | 208 | 63.4 Ų | 63.4 | 90% | 0.904 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 116.9 | 171.7 | -122.1 | 177.4 | 175.8 | -179 | 0 | 106.3 | S2 L6 | S2-K4 PolarHBondContact O-N 3.17Å; K4-L6 PolarHBondContact O-N 2.98Å |
| 5 | S | 71.6 | Confident | 82.9 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 47% | 0.469 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 125.7 | 169.7 | -172 | 0 | 0 | 0 | 0 | 108 | G3 T57 | G3-S5 PolarHBondContact O-N 3.21Å; S5-T57 PolarHBondContact OG-OG1 3.42Å |
| 6 | L | 91.2 | Very high | 83.8 | Confident | 42 Ų | 42 | 59 Ų | 59 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126 | 176.6 | -178.1 | 66.1 | 0 | 0 | 0 | 108.3 | K4 L8 F55 V56 T57 L173 | K4-L6 PolarHBondContact O-N 2.98Å; L6-L8 HydrophobicContact CD1-CD2 4.2Å; L6-L8 HydrophobicContact CD2-CD1 4.15Å; L6-L8 HydrophobicContact CD2-CD2 3.74Å; L6-L8 HydrophobicContact CD2-CG 3.98Å; L6-L8 HydrophobicContact CG-CD2 3.71Å; L6-L8 HydrophobicContact CG-CG 3.98Å; L6-F55 PolarHBondContact N-O 3.49Å; L6-V56 HydrophobicContact CB-CG1 4.47Å; L6-V56 HydrophobicContact CB-CG2 4.4Å; L6-V56 HydrophobicContact CD2-CG2 4.4Å; L6-V56 CarbonylContact O-C 3.56Å; L6-V56 WeakPolarHBondContact O-CA 3.29Å; L6-V56 VanDerWaalsContact O-CG1 3.31Å; L6-V56 WeakPolarHBondContact O-CG1 3.27Å; L6-T57 PolarHBondContact O-N 3.37Å; L6-L173 HydrophobicContact CD2-CD2 3.62Å |
| 7 | L | 95.8 | Very high | 84.5 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.7 | 174.6 | 178 | 69.2 | 0 | 0 | 0 | 108.2 | T57 Q59 | L7-T57 WeakPolarHBondContact CA-O 3.45Å; L7-T57 HydrophobicContact CD1-CG2 3.71Å; L7-Q59 HydrophobicContact CD1-CB 4.26Å |
| 8 | L | 97.7 | Very high | 85.3 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.7 | 178.9 | -64.6 | -172.2 | 0 | 0 | 0 | 111.4 | L6 V56 T57 L58 Q59 D81 V169 V172 | L6-L8 HydrophobicContact CD1-CD2 4.2Å; L6-L8 HydrophobicContact CD2-CD1 4.15Å; L6-L8 HydrophobicContact CD2-CD2 3.74Å; L6-L8 HydrophobicContact CD2-CG 3.98Å; L6-L8 HydrophobicContact CG-CD2 3.71Å; L6-L8 HydrophobicContact CG-CG 3.98Å; L8-V56 HydrophobicContact CB-CG1 4.05Å; L8-V56 HydrophobicContact CD1-CG1 3.7Å; L8-V56 HydrophobicContact CG-CG1 3.6Å; L8-T57 PolarHBondContact N-O 3.34Å; L8-L58 HydrophobicContact CB-CD1 3.99Å; L8-L58 HydrophobicContact CD1-CD1 4.4Å; L8-Q59 PolarHBondContact O-N 2.79Å; L8-D81 WeakPolarHBondContact CA-OD2 3.23Å; L8-D81 HydrophobicContact CD2-CB 4.33Å; L8-V169 HydrophobicContact CD1-CG1 4.16Å; L8-V169 HydrophobicContact CD1-CG2 4.45Å; L8-V172 HydrophobicContact CD1-CB 4.03Å; L8-V172 HydrophobicContact CD1-CG1 3.98Å; L8-V172 HydrophobicContact CD1-CG2 4.43Å; L8-V172 HydrophobicContact CD2-CG1 3.72Å; L8-V172 HydrophobicContact CG-CG1 4.49Å |
| 9 | K | 98.4 | Very high | 86 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 109.8 | 174.8 | 177.6 | 166.4 | 168.7 | -170.2 | 0 | 110.4 | Q59 W61 F76 R78 G79 A80 D81 C82 | K9-Q59 WeakPolarHBondContact CA-O 3.47Å; K9-W61 HydrophobicContact CD-CZ2 4.5Å; K9-W61 HydrophobicContact CG-CG 4.5Å; K9-F76 VanDerWaalsContact CE-O 3.28Å; K9-F76 WeakPolarHBondContact CE-O 3.41Å; K9-F76 PolarHBondContact NZ-O 3.46Å; K9-R78 PolarHBondContact NZ-O 2.64Å; K9-G79 WeakPolarHBondContact CD-O 3.41Å; K9-A80 HydrophobicContact CG-CB 4.26Å; K9-D81 PolarHBondContact N-OD2 3.28Å; K9-D81 PolarHBondContact O-N 2.99Å; K9-C82 PolarHBondContact O-N 3.27Å |
| 10 | V | 98.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.8 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 109 | L58 Q59 I60 W61 C82 L84 A168 | V10-L58 HydrophobicContact CG2-CD1 4.5Å; V10-L58 HydrophobicContact CG2-CD2 4.08Å; V10-L58 HydrophobicContact CG2-CG 3.99Å; V10-Q59 PolarHBondContact N-O 3.26Å; V10-I60 CarbonylContact O-C 3.56Å; V10-I60 WeakPolarHBondContact O-CA 3.13Å; V10-W61 PolarHBondContact O-N 3.26Å; V10-C82 WeakPolarHBondContact CA-O 3.31Å; V10-C82 HydrophobicContact CG2-CB 4.38Å; V10-L84 HydrophobicContact CG1-CD1 3.68Å; V10-L84 HydrophobicContact CG1-CD2 4.49Å; V10-L84 HydrophobicContact CG1-CG 3.69Å; V10-A168 HydrophobicContact CG1-CB 4.38Å; V10-A168 HydrophobicContact CG2-CB 4.48Å |
| 11 | I | 98.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.6 | 179.9 | -167.3 | 166.3 | 0 | 0 | 0 | 111.7 | L13 W61 T63 Y77 A80 C82 C83 L84 F105 | I11-L13 HydrophobicContact CD1-CD2 4.28Å; I11-L13 HydrophobicContact CG1-CD2 4.21Å; I11-W61 HydrophobicContact CB-CB 4.24Å; I11-W61 HydrophobicContact CG1-CB 3.98Å; I11-T63 HydrophobicContact CD1-CG2 3.82Å; I11-T63 HydrophobicContact CG1-CG2 3.76Å; I11-Y77 HydrophobicContact CD1-CD1 3.43Å; I11-Y77 VanDerWaalsContact CD1-CD1 3.43Å; I11-Y77 HydrophobicContact CD1-CE1 3.89Å; I11-Y77 HydrophobicContact CD1-CG 4.34Å; I11-A80 HydrophobicContact CB-CB 4.41Å; I11-A80 HydrophobicContact CG2-CB 3.88Å; I11-C82 PolarHBondContact N-O 3.23Å; I11-C83 HydrophobicContact CG2-CB 4.06Å; I11-L84 PolarHBondContact O-N 2.79Å; I11-F105 HydrophobicContact CG2-CD2 4.23Å; I11-F105 HydrophobicContact CG2-CE2 3.75Å |
| 12 | L | 98.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 125.1 | 173.2 | -65.6 | 93.7 | 0 | 0 | 0 | 110.5 | K20 L23 I60 W61 T63 L84 F165 | L12-K20 HydrophobicContact CB-CB 4.02Å; L12-K20 HydrophobicContact CB-CD 4.07Å; L12-K20 HydrophobicContact CB-CG 4.13Å; L12-K20 HydrophobicContact CD2-CB 4.12Å; L12-L23 HydrophobicContact CD2-CB 4.27Å; L12-I60 HydrophobicContact CD1-CG2 3.37Å; L12-W61 PolarHBondContact N-O 3.27Å; L12-T63 PolarHBondContact O-OG1 3.47Å; L12-L84 HydrophobicContact CD2-CD1 4.39Å; L12-L84 HydrophobicContact CG-CB 4.18Å; L12-L84 HydrophobicContact CG-CD1 4.06Å; L12-F165 HydrophobicContact CD1-CE1 4.34Å; L12-F165 HydrophobicContact CD2-CZ 4.35Å |
| 13 | L | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 156.3 | 175.3 | -62.2 | -172.8 | 0 | 0 | 0 | 111.3 | I11 T63 Y77 L84 L85 T86 W101 F105 | I11-L13 HydrophobicContact CD1-CD2 4.28Å; I11-L13 HydrophobicContact CG1-CD2 4.21Å; L13-T63 HydrophobicContact CD2-CG2 4.1Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.41Å; L13-Y77 HydrophobicContact CD1-CE1 4.39Å; L13-Y77 HydrophobicContact CD1-CE2 4.14Å; L13-Y77 HydrophobicContact CD2-CD1 4.46Å; L13-Y77 HydrophobicContact CD2-CE1 3.54Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.1Å; L13-L84 PolarHBondContact N-O 3.35Å; L13-L85 HydrophobicContact CB-CD2 4.34Å; L13-T86 WeakPolarHBondContact O-CB 3.04Å; L13-T86 PolarHBondContact O-N 2.72Å; L13-W101 HydrophobicContact CB-CE3 4.01Å; L13-W101 HydrophobicContact CD1-CE3 4.48Å; L13-W101 HydrophobicContact CD2-CZ3 4.49Å; L13-F105 HydrophobicContact CD1-CB 3.64Å; L13-F105 HydrophobicContact CD1-CD2 3.81Å; L13-F105 HydrophobicContact CD1-CG 4.07Å |
| 14 | G | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | 143.4 | 168.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | K20 G65 T86 W101 | G14-K20 PolarHBondContact O-NZ 2.97Å; G14-G65 WeakPolarHBondContact O-CA 3.36Å; G14-T86 VanDerWaalsContact CA-O 3.29Å; G14-T86 WeakPolarHBondContact CA-O 3.35Å; G14-W101 VanDerWaalsContact C-CZ2 3.4Å; G14-W101 VanDerWaalsContact O-CZ2 3.24Å; G14-W101 WeakPolarHBondContact O-CZ2 3.27Å | ||
| 15 | D | 98.5 | Very high | 96.4 | Very high | 26 Ų | 26 | 22.2 Ų | 22.2 | 14% | 0.139 | 15% | 0.145 | C | C | . | . | trans | -60.5 | 163.4 | -174.9 | -79.1 | 13.8 | 0 | 0 | 0 | 113.6 | G17 V18 K20 N97 W101 | D15-G17 PolarHBondContact O-N 3.09Å; D15-V18 HydrophobicContact CB-CG1 3.81Å; D15-V18 VanDerWaalsContact O-CG2 3.27Å; D15-V18 WeakPolarHBondContact O-CG2 3.29Å; D15-K20 PolarHBondContact O-NZ 3.05Å; D15-N97 PolarHBondContact OD1-ND2 3.46Å; D15-N97 PolarHBondContact OD2-ND2 2.97Å; D15-W101 PolarHBondContact OD1-NE1 2.73Å | ||
| 16 | G | 97.1 | Very high | 97.7 | Very high | 30 Ų | 30 | 20.6 Ų | 20.6 | 31% | 0.309 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 131.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V18 G65 | G16-V18 PolarHBondContact O-N 3.02Å; G16-G65 PolarHBondContact N-O 2.84Å |
| 17 | G | 96.3 | Very high | 98 | Very high | 46 Ų | 46 | 19 Ų | 19 | 47% | 0.474 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | 1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116 | D15 G19 K125 | D15-G17 PolarHBondContact O-N 3.09Å; G17-G19 PolarHBondContact O-N 3.44Å; G17-K125 WeakPolarHBondContact O-CE 3.44Å; G17-K125 PolarHBondContact O-NZ 3.4Å |
| 18 | V | 98 | Very high | 98 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -68.4 | -15.9 | 173.8 | -56 | 0 | 0 | 0 | 0 | 113.4 | D15 G16 K20 T86 N124 | D15-V18 HydrophobicContact CB-CG1 3.81Å; D15-V18 VanDerWaalsContact O-CG2 3.27Å; D15-V18 WeakPolarHBondContact O-CG2 3.29Å; G16-V18 PolarHBondContact O-N 3.02Å; V18-K20 HydrophobicContact CG2-CD 4.43Å; V18-K20 HydrophobicContact CG2-CG 3.77Å; V18-T86 HydrophobicContact CB-CG2 4.45Å; V18-T86 HydrophobicContact CG2-CG2 3.84Å; V18-N124 PolarHBondContact O-ND2 2.85Å |
| 19 | G | 98 | Very high | 97.9 | Very high | 11 Ų | 11 | 19 Ų | 19 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 103.4 | 21.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G17 S21 S22 L23 | G17-G19 PolarHBondContact O-N 3.44Å; G19-S21 PolarHBondContact O-N 3.23Å; G19-S22 CarbonylContact O-C 3.5Å; G19-S22 WeakPolarHBondContact O-CB 3.45Å; G19-S22 PolarHBondContact O-N 2.95Å; G19-S22 VanDerWaalsContact O-N 3.12Å; G19-L23 WeakPolarHBondContact O-CG 3.48Å; G19-L23 PolarHBondContact O-N 2.79Å |
| 20 | K | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -51.4 | -54.7 | 175.5 | -60.1 | -175.9 | -61.4 | -70.7 | 0 | 113 | L12 G14 D15 V18 S22 L23 M24 D62 T63 T86 | L12-K20 HydrophobicContact CB-CB 4.02Å; L12-K20 HydrophobicContact CB-CD 4.07Å; L12-K20 HydrophobicContact CB-CG 4.13Å; L12-K20 HydrophobicContact CD2-CB 4.12Å; G14-K20 PolarHBondContact O-NZ 2.97Å; D15-K20 PolarHBondContact O-NZ 3.05Å; V18-K20 HydrophobicContact CG2-CD 4.43Å; V18-K20 HydrophobicContact CG2-CG 3.77Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 2.81Å; K20-L23 PolarHBondContact O-N 2.91Å; K20-L23 VanDerWaalsContact O-N 3.16Å; K20-M24 PolarHBondContact O-N 3.49Å; K20-D62 WeakPolarHBondContact CB-OD1 3.45Å; K20-T63 WeakPolarHBondContact CE-O 3.5Å; K20-T86 HydrophobicContact CG-CG2 4.34Å |
| 21 | S | 97.9 | Very high | 97.5 | Very high | 24 Ų | 24 | 30 Ų | 30 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -38 | 176.9 | -36 | 0 | 0 | 0 | 0 | 112 | G19 M24 N25 T39 D62 | G19-S21 PolarHBondContact O-N 3.23Å; S21-M24 PolarHBondContact O-N 2.9Å; S21-N25 VanDerWaalsContact O-CB 3.26Å; S21-N25 WeakPolarHBondContact O-CB 3.4Å; S21-N25 VanDerWaalsContact O-CG 3.28Å; S21-N25 PolarHBondContact O-N 2.88Å; S21-N25 PolarHBondContact O-ND2 3.47Å; S21-N25 VanDerWaalsContact O-ND2 3.17Å; S21-T39 PolarHBondContact OG-OG1 3.06Å; S21-D62 VanDerWaalsContact CB-OD2 3.25Å; S21-D62 WeakPolarHBondContact CB-OD2 3.32Å; S21-D62 PolarHBondContact N-OD1 3.45Å; S21-D62 VanDerWaalsContact OG-CG 3.26Å; S21-D62 PolarHBondContact OG-OD1 3.47Å; S21-D62 PolarHBondContact OG-OD2 3.27Å |
| 22 | S | 98.2 | Very high | 97.4 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.4 | -40 | 176.8 | -52.7 | 0 | 0 | 0 | 0 | 112 | G19 K20 R26 | G19-S22 CarbonylContact O-C 3.5Å; G19-S22 WeakPolarHBondContact O-CB 3.45Å; G19-S22 PolarHBondContact O-N 2.95Å; G19-S22 VanDerWaalsContact O-N 3.12Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 2.81Å; S22-R26 WeakPolarHBondContact O-CB 3.24Å; S22-R26 PolarHBondContact O-N 2.99Å |
| 23 | L | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 175 | -75.5 | 167.4 | 0 | 0 | 0 | 111.1 | L12 G19 K20 N25 R26 Y27 T86 L122 N124 A155 V161 | L12-L23 HydrophobicContact CD2-CB 4.27Å; G19-L23 WeakPolarHBondContact O-CG 3.48Å; G19-L23 PolarHBondContact O-N 2.79Å; K20-L23 PolarHBondContact O-N 2.91Å; K20-L23 VanDerWaalsContact O-N 3.16Å; L23-N25 PolarHBondContact O-N 2.88Å; L23-R26 PolarHBondContact O-N 2.86Å; L23-Y27 WeakPolarHBondContact O-CB 3.5Å; L23-Y27 PolarHBondContact O-N 2.81Å; L23-T86 HydrophobicContact CD1-CG2 3.86Å; L23-L122 HydrophobicContact CD1-CD1 4.05Å; L23-N124 HydrophobicContact CD1-CB 4.24Å; L23-A155 HydrophobicContact CD2-CB 3.98Å; L23-A155 HydrophobicContact CG-CB 4.15Å; L23-V161 HydrophobicContact CD2-CG1 4.29Å; L23-V161 HydrophobicContact CD2-CG2 3.92Å |
| 24 | M | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.2 | -49.8 | 176.1 | -179.1 | -176.7 | 70.4 | 0 | 0 | 111.1 | K20 S21 Y27 V28 E43 L45 I60 D62 | K20-M24 PolarHBondContact O-N 3.49Å; S21-M24 PolarHBondContact O-N 2.9Å; M24-Y27 PolarHBondContact O-N 2.97Å; M24-V28 WeakPolarHBondContact O-CB 3.38Å; M24-V28 WeakPolarHBondContact O-CG2 3.44Å; M24-V28 PolarHBondContact O-N 2.79Å; M24-E43 HydrophobicContact CE-CG 4.35Å; M24-L45 HydrophobicContact CE-CD1 3.99Å; M24-L45 HydrophobicContact CE-CG 4.16Å; M24-L45 HydrophobicContact CG-CD1 4.12Å; M24-L45 HydrophobicContact SD-CB 4.31Å; M24-L45 HydrophobicContact SD-CD1 4.22Å; M24-L45 HydrophobicContact SD-CG 4.13Å; M24-I60 HydrophobicContact CB-CG2 4.3Å; M24-I60 HydrophobicContact CG-CB 4.34Å; M24-I60 HydrophobicContact CG-CG2 3.8Å; M24-I60 HydrophobicContact SD-CG2 4.19Å; M24-D62 HydrophobicContact CE-CB 3.61Å; M24-D62 HydrophobicContact SD-CB 3.66Å |
| 25 | N | 97 | Very high | 95.9 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | -179.2 | -75.8 | -32.5 | 0 | 0 | 0 | 112.6 | S21 L23 Y27 T29 N30 K31 | S21-N25 VanDerWaalsContact O-CB 3.26Å; S21-N25 WeakPolarHBondContact O-CB 3.4Å; S21-N25 VanDerWaalsContact O-CG 3.28Å; S21-N25 PolarHBondContact O-N 2.88Å; S21-N25 PolarHBondContact O-ND2 3.47Å; S21-N25 VanDerWaalsContact O-ND2 3.17Å; L23-N25 PolarHBondContact O-N 2.88Å; N25-Y27 VanDerWaalsContact C-N 3.34Å; N25-T29 WeakPolarHBondContact O-CA 3.46Å; N25-T29 WeakPolarHBondContact O-CB 3.46Å; N25-T29 PolarHBondContact O-N 2.89Å; N25-T29 PolarHBondContact O-OG1 3.01Å; N25-N30 PolarHBondContact O-N 2.83Å; N25-K31 CarbonylContact C-O 3.59Å |
| 26 | R | 98 | Very high | 95.1 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -49.9 | 174.8 | 170.6 | 54.6 | 72.3 | -174.2 | 8.9 | 109.6 | S22 L23 N30 K31 F32 A155 K156 D158 V161 | S22-R26 WeakPolarHBondContact O-CB 3.24Å; S22-R26 PolarHBondContact O-N 2.99Å; L23-R26 PolarHBondContact O-N 2.86Å; R26-N30 VanDerWaalsContact NH1-C 3.32Å; R26-N30 PolarHBondContact NH1-O 3.46Å; R26-N30 PolarHBondContact NH1-OD1 3.35Å; R26-N30 WeakPolarHBondContact O-CA 3.33Å; R26-N30 PolarHBondContact O-N 3.19Å; R26-K31 WeakPolarHBondContact CA-O 3.35Å; R26-K31 PolarHBondContact N-O 2.79Å; R26-F32 VanDerWaalsContact NH2-CB 3.25Å; R26-A155 HydrophobicContact CB-CB 4.3Å; R26-A155 PolarHBondContact NE-O 2.92Å; R26-K156 PolarHBondContact NH2-O 3.08Å; R26-D158 VanDerWaalsContact CD-OD1 3.24Å; R26-D158 WeakPolarHBondContact CD-OD1 3.41Å; R26-D158 HydrophobicContact CG-CB 4.41Å; R26-D158 VanDerWaalsContact CG-OD1 3.22Å; R26-D158 WeakPolarHBondContact CG-OD1 3.23Å; R26-V161 HydrophobicContact CB-CG1 4.36Å; R26-V161 HydrophobicContact CG-CB 4.22Å; R26-V161 HydrophobicContact CG-CG1 3.97Å; R26-V161 HydrophobicContact CG-CG2 3.94Å |
| 27 | Y | 98.2 | Very high | 94.6 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.9 | -64.8 | 178.5 | -172.9 | -127.3 | 0 | 0 | 0 | 109.9 | L23 M24 N25 T29 R47 L49 I60 V161 A162 F165 | L23-Y27 WeakPolarHBondContact O-CB 3.5Å; L23-Y27 PolarHBondContact O-N 2.81Å; M24-Y27 PolarHBondContact O-N 2.97Å; N25-Y27 VanDerWaalsContact C-N 3.34Å; Y27-T29 PolarHBondContact O-N 2.72Å; Y27-R47 HydrophobicContact CE1-CB 4.48Å; Y27-R47 HydrophobicContact CE1-CG 4.41Å; Y27-R47 PolarHBondContact O-NH1 3.19Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.37Å; Y27-I60 HydrophobicContact CD1-CD1 3.5Å; Y27-I60 HydrophobicContact CE1-CD1 3.76Å; Y27-V161 HydrophobicContact CD2-CG1 4.44Å; Y27-A162 HydrophobicContact CD2-CB 4.31Å; Y27-A162 HydrophobicContact CE2-CB 3.98Å; Y27-F165 HydrophobicContact CD1-CB 4.05Å; Y27-F165 HydrophobicContact CD1-CD1 4.11Å; Y27-F165 AromaticContact CD1-CD2 3.48Å; Y27-F165 HydrophobicContact CD1-CD2 3.48Å; Y27-F165 VanDerWaalsContact CD1-CD2 3.48Å; Y27-F165 HydrophobicContact CD1-CE1 4.48Å; Y27-F165 AromaticContact CD1-CE2 3.92Å; Y27-F165 HydrophobicContact CD1-CE2 3.92Å; Y27-F165 AromaticContact CD1-CG 3.6Å; Y27-F165 HydrophobicContact CD1-CG 3.6Å; Y27-F165 HydrophobicContact CD1-CZ 4.39Å; Y27-F165 HydrophobicContact CD2-CB 4.4Å; Y27-F165 AromaticContact CD2-CD2 3.75Å; Y27-F165 HydrophobicContact CD2-CD2 3.75Å; Y27-F165 HydrophobicContact CD2-CE2 4.46Å; Y27-F165 HydrophobicContact CD2-CG 4.34Å; Y27-F165 HydrophobicContact CE1-CB 3.54Å; Y27-F165 HydrophobicContact CE1-CD1 4.18Å; Y27-F165 AromaticContact CE1-CD2 3.92Å; Y27-F165 HydrophobicContact CE1-CD2 3.92Å; Y27-F165 AromaticContact CE1-CG 3.61Å; Y27-F165 HydrophobicContact CE1-CG 3.61Å; Y27-F165 HydrophobicContact CE2-CB 3.98Å; Y27-F165 HydrophobicContact CE2-CD2 4.2Å; Y27-F165 HydrophobicContact CE2-CG 4.38Å; Y27-F165 HydrophobicContact CG-CB 4.44Å; Y27-F165 AromaticContact CG-CD2 3.37Å; Y27-F165 HydrophobicContact CG-CD2 3.37Å; Y27-F165 AromaticContact CG-CE2 3.75Å; Y27-F165 HydrophobicContact CG-CE2 3.75Å; Y27-F165 AromaticContact CG-CG 3.97Å; Y27-F165 HydrophobicContact CG-CG 3.97Å |
| 28 | V | 97 | Very high | 94.2 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 24% | 0.242 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | -169.3 | 179.6 | 0 | 0 | 0 | 0 | 113.5 | M24 L45 I60 | M24-V28 WeakPolarHBondContact O-CB 3.38Å; M24-V28 WeakPolarHBondContact O-CG2 3.44Å; M24-V28 PolarHBondContact O-N 2.79Å; V28-L45 HydrophobicContact CB-CB 4.46Å; V28-L45 HydrophobicContact CB-CD1 3.92Å; V28-L45 HydrophobicContact CG1-CB 4.15Å; V28-L45 HydrophobicContact CG1-CD1 3.94Å; V28-L45 HydrophobicContact CG2-CB 3.95Å; V28-L45 HydrophobicContact CG2-CD1 4.1Å; V28-I60 HydrophobicContact CG2-CD1 3.94Å |
| 29 | T | 95.1 | Very high | 93.7 | Very high | 65 Ų | 65 | 64.3 Ų | 64.3 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -113.5 | -4.9 | -169.2 | 72.8 | 0 | 0 | 0 | 0 | 114.2 | N25 Y27 K31 | N25-T29 WeakPolarHBondContact O-CA 3.46Å; N25-T29 WeakPolarHBondContact O-CB 3.46Å; N25-T29 PolarHBondContact O-N 2.89Å; N25-T29 PolarHBondContact O-OG1 3.01Å; Y27-T29 PolarHBondContact O-N 2.72Å; T29-K31 PolarHBondContact O-N 2.97Å; T29-K31 WeakPolarHBondContact OG1-CB 3.44Å; T29-K31 PolarHBondContact OG1-N 3.26Å |
| 30 | N | 95 | Very high | 93.1 | Very high | 105 Ų | 105 | 68.8 Ų | 68.8 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 52.9 | 34.9 | -171.3 | -161.7 | 16.1 | 0 | 0 | 0 | 113.5 | N25 R26 | N25-N30 PolarHBondContact O-N 2.83Å; R26-N30 VanDerWaalsContact NH1-C 3.32Å; R26-N30 PolarHBondContact NH1-O 3.46Å; R26-N30 PolarHBondContact NH1-OD1 3.35Å; R26-N30 WeakPolarHBondContact O-CA 3.33Å; R26-N30 PolarHBondContact O-N 3.19Å |
| 31 | K | 93.7 | Very high | 92.7 | Very high | 152 Ų | 152 | 69.4 Ų | 69.4 | 66% | 0.661 | 37% | 0.368 | S | S | * | . | trans | -122.3 | 146.2 | 177.9 | -66 | 177.4 | -177.6 | 178.4 | 0 | 110.8 | N25 R26 T29 | N25-K31 CarbonylContact C-O 3.59Å; R26-K31 WeakPolarHBondContact CA-O 3.35Å; R26-K31 PolarHBondContact N-O 2.79Å; T29-K31 PolarHBondContact O-N 2.97Å; T29-K31 WeakPolarHBondContact OG1-CB 3.44Å; T29-K31 PolarHBondContact OG1-N 3.26Å | ||
| 32 | F | 95.4 | Very high | 92.5 | Very high | 79 Ų | 79 | 70.1 Ų | 70.1 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | trans | -127 | 131.4 | 171.1 | 175.2 | -96.7 | 0 | 0 | 0 | 109 | R26 A155 K156 | R26-F32 VanDerWaalsContact NH2-CB 3.25Å; F32-A155 HydrophobicContact CD2-CB 4.25Å; F32-A155 WeakPolarHBondContact CD2-O 3.49Å; F32-A155 HydrophobicContact CE2-CB 4.42Å; F32-K156 HydrophobicContact CD1-CB 4.49Å; F32-K156 HydrophobicContact CD1-CG 4.14Å; F32-K156 HydrophobicContact CD2-CB 4.28Å; F32-K156 HydrophobicContact CE1-CB 4.22Å; F32-K156 HydrophobicContact CE1-CG 3.82Å; F32-K156 HydrophobicContact CE2-CB 3.99Å; F32-K156 HydrophobicContact CE2-CG 4.49Å; F32-K156 HydrophobicContact CZ-CB 3.95Å; F32-K156 HydrophobicContact CZ-CG 4.01Å | ||
| 33 | D | 92 | Very high | 92.3 | Very high | 96 Ų | 96 | 74.1 Ų | 74.1 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | trans | -115.6 | 118.9 | 174.4 | -176.4 | 2.7 | 0 | 0 | 0 | 109.1 | Q35 | D33-Q35 PolarHBondContact O-N 3.42Å; D33-Q35 PolarHBondContact OD1-N 3.33Å | ||
| 34 | S | 87.1 | Confident | 92.2 | Very high | 100 Ų | 100 | 78.5 Ų | 78.5 | 70% | 0.699 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13.8 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 35 | Q | 86.1 | Confident | 92.2 | Very high | 150 Ų | 150 | 80.6 Ų | 80.6 | 70% | 0.701 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 20.9 | -179.5 | -58.9 | -174.2 | 5.7 | 0 | 0 | 112.5 | D33 F37 | D33-Q35 PolarHBondContact O-N 3.42Å; D33-Q35 PolarHBondContact OD1-N 3.33Å; Q35-F37 PolarHBondContact O-N 3.08Å |
| 36 | A | 81.3 | Confident | 92.2 | Very high | 56 Ų | 56 | 82 Ų | 82 | 46% | 0.463 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -55 | 125.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 37 | F | 87.1 | Confident | 92.1 | Very high | 191 Ų | 191 | 84.4 Ų | 84.4 | 84% | 0.838 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 164 | 176.1 | -66.1 | -80.9 | 0 | 0 | 0 | 111.7 | Q35 T39 | Q35-F37 PolarHBondContact O-N 3.08Å; F37-T39 PolarHBondContact O-N 3.3Å |
| 38 | H | 87.7 | Confident | 92 | Very high | 121 Ų | 121 | 89.6 Ų | 89.6 | 56% | 0.56 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 128.8 | 172.7 | -63.2 | -58.6 | 0 | 0 | 0 | 111.7 | I40 Q66 | H38-I40 PolarHBondContact O-N 3.49Å; H38-Q66 PolarHBondContact CD2-NE2 2.91Å |
| 39 | T | 87.1 | Confident | 92 | Very high | 31 Ų | 31 | 88.9 Ų | 88.9 | 19% | 0.19 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 124.5 | 170 | -45.8 | 0 | 0 | 0 | 0 | 110.1 | S21 F37 D62 A64 | S21-T39 PolarHBondContact OG-OG1 3.06Å; F37-T39 PolarHBondContact O-N 3.3Å; T39-D62 PolarHBondContact OG1-OD2 2.97Å; T39-A64 WeakPolarHBondContact O-CB 3.07Å |
| 40 | I | 86.8 | Confident | 91.9 | Very high | 104 Ų | 104 | 91 Ų | 91 | 53% | 0.533 | 46% | 0.463 | S | S | . | . | trans | -92.7 | -28 | 179.7 | -65.7 | 178 | 0 | 0 | 0 | 111.5 | H38 F69 L72 | H38-I40 PolarHBondContact O-N 3.49Å; I40-F69 HydrophobicContact CB-CE1 4.49Å; I40-F69 HydrophobicContact CB-CE2 4.39Å; I40-F69 HydrophobicContact CB-CZ 4.24Å; I40-F69 HydrophobicContact CG1-CE2 4.05Å; I40-F69 HydrophobicContact CG1-CZ 3.86Å; I40-F69 HydrophobicContact CG2-CD1 4.13Å; I40-F69 HydrophobicContact CG2-CE1 3.77Å; I40-F69 HydrophobicContact CG2-CZ 3.98Å; I40-F69 WeakPolarHBondContact O-CG 3.39Å; I40-L72 HydrophobicContact CG2-CD1 4.34Å; I40-L72 WeakPolarHBondContact O-CD1 3.48Å | ||
| 41 | G | 88.4 | Confident | 91.9 | Very high | 23 Ų | 23 | 86.2 Ų | 86.2 | 24% | 0.237 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -130.3 | -125.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | A64 | G41-A64 WeakPolarHBondContact O-CB 3.44Å; G41-A64 PolarHBondContact O-N 3.37Å |
| 42 | V | 94.2 | Very high | 91.8 | Very high | 40 Ų | 40 | 85.1 Ų | 85.1 | 24% | 0.242 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 136.6 | -178.5 | 178 | 0 | 0 | 0 | 0 | 108.5 | W61 D62 T63 R73 F76 | V42-W61 HydrophobicContact CG1-CE3 3.42Å; V42-W61 VanDerWaalsContact CG1-CE3 3.42Å; V42-W61 HydrophobicContact CG1-CZ3 3.86Å; V42-D62 WeakPolarHBondContact CA-O 3.26Å; V42-D62 WeakPolarHBondContact CG1-O 3.34Å; V42-T63 HydrophobicContact CG2-CG2 4.32Å; V42-R73 HydrophobicContact CG2-CB 4.07Å; V42-F76 HydrophobicContact CB-CD2 3.92Å; V42-F76 HydrophobicContact CB-CE2 4.06Å; V42-F76 HydrophobicContact CB-CG 4.3Å; V42-F76 HydrophobicContact CG1-CB 4.28Å; V42-F76 HydrophobicContact CG1-CD1 4.42Å; V42-F76 HydrophobicContact CG1-CD2 4.15Å; V42-F76 HydrophobicContact CG1-CG 4.03Å; V42-F76 HydrophobicContact CG2-CB 4.48Å; V42-F76 HydrophobicContact CG2-CD2 3.48Å; V42-F76 VanDerWaalsContact CG2-CD2 3.48Å; V42-F76 HydrophobicContact CG2-CE2 3.9Å; V42-F76 HydrophobicContact CG2-CG 4.12Å |
| 43 | E | 95.1 | Very high | 91.6 | Very high | 104 Ų | 104 | 83.8 Ų | 83.8 | 49% | 0.486 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 151 | 173.8 | -176 | 171.9 | -173.6 | 0 | 0 | 108.2 | M24 W61 D62 | M24-E43 HydrophobicContact CE-CG 4.35Å; E43-W61 CarbonylContact O-C 3.55Å; E43-W61 WeakPolarHBondContact O-CA 3.45Å; E43-D62 PolarHBondContact N-O 3.17Å; E43-D62 VanDerWaalsContact N-O 3.08Å; E43-D62 PolarHBondContact O-N 3.37Å |
| 44 | F | 96.3 | Very high | 91.5 | Very high | 94 Ų | 94 | 84 Ų | 84 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.4 | 171.2 | 73.7 | -90.6 | 0 | 0 | 0 | 111.7 | Q59 I60 W61 | F44-Q59 HydrophobicContact CB-CG 4.43Å; F44-Q59 HydrophobicContact CD2-CG 3.75Å; F44-Q59 HydrophobicContact CE2-CG 4.4Å; F44-Q59 HydrophobicContact CG-CG 4.3Å; F44-I60 CarbonylContact C-O 3.58Å; F44-I60 WeakPolarHBondContact CA-O 3.47Å; F44-I60 VanDerWaalsContact CB-O 3.27Å; F44-I60 WeakPolarHBondContact CB-O 3.44Å; F44-W61 HydrophobicContact CB-CD2 3.85Å; F44-W61 HydrophobicContact CB-CE3 4.11Å; F44-W61 HydrophobicContact CB-CG 4.05Å; F44-W61 HydrophobicContact CD1-CE3 4.34Å; F44-W61 AromaticContact CD1-CH2 3.94Å; F44-W61 HydrophobicContact CD1-CH2 3.94Å; F44-W61 HydrophobicContact CD1-CZ2 4.22Å; F44-W61 AromaticContact CD1-CZ3 3.99Å; F44-W61 HydrophobicContact CD1-CZ3 3.99Å; F44-W61 HydrophobicContact CE1-CH2 4.38Å; F44-W61 HydrophobicContact CG-CD2 4.44Å; F44-W61 HydrophobicContact CG-CZ2 4.4Å |
| 45 | L | 97.4 | Very high | 91.9 | Very high | 43 Ų | 43 | 85.7 Ų | 85.7 | 23% | 0.225 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.7 | 173.9 | -66 | 178.2 | 0 | 0 | 0 | 109.8 | M24 V28 I60 | M24-L45 HydrophobicContact CE-CD1 3.99Å; M24-L45 HydrophobicContact CE-CG 4.16Å; M24-L45 HydrophobicContact CG-CD1 4.12Å; M24-L45 HydrophobicContact SD-CB 4.31Å; M24-L45 HydrophobicContact SD-CD1 4.22Å; M24-L45 HydrophobicContact SD-CG 4.13Å; V28-L45 HydrophobicContact CB-CB 4.46Å; V28-L45 HydrophobicContact CB-CD1 3.92Å; V28-L45 HydrophobicContact CG1-CB 4.15Å; V28-L45 HydrophobicContact CG1-CD1 3.94Å; V28-L45 HydrophobicContact CG2-CB 3.95Å; V28-L45 HydrophobicContact CG2-CD1 4.1Å; L45-I60 PolarHBondContact N-O 2.95Å; L45-I60 PolarHBondContact O-N 3.02Å |
| 46 | N | 97.3 | Very high | 92.3 | Very high | 86 Ų | 86 | 78.6 Ų | 78.6 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 145.6 | 174.2 | -68 | -23.3 | 0 | 0 | 0 | 110.6 | L58 Q59 | N46-L58 CarbonylContact C-O 3.54Å; N46-L58 VanDerWaalsContact CA-O 3.23Å; N46-L58 WeakPolarHBondContact CA-O 3.21Å; N46-Q59 WeakPolarHBondContact OD1-CG 3.49Å |
| 47 | R | 96.1 | Very high | 93.1 | Very high | 83 Ų | 83 | 77.2 Ų | 77.2 | 31% | 0.313 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 126.1 | 168.4 | -170.3 | -163.5 | -177.5 | 106.1 | -11.4 | 110.2 | Y27 L49 L58 | Y27-R47 HydrophobicContact CE1-CB 4.48Å; Y27-R47 HydrophobicContact CE1-CG 4.41Å; Y27-R47 PolarHBondContact O-NH1 3.19Å; R47-L49 WeakPolarHBondContact O-CD2 3.44Å; R47-L58 PolarHBondContact N-O 3.16Å; R47-L58 PolarHBondContact O-N 3.28Å |
| 48 | D | 96.6 | Very high | 93.6 | Very high | 118 Ų | 118 | 68.1 Ų | 68.1 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 138.6 | 169.7 | -62.9 | -32.4 | 0 | 0 | 0 | 110.1 | V56 T57 | D48-V56 WeakPolarHBondContact CA-O 3.28Å; D48-T57 VanDerWaalsContact OD1-CB 3.27Å; D48-T57 WeakPolarHBondContact OD1-CB 3.43Å; D48-T57 VanDerWaalsContact OD1-CG2 3.29Å; D48-T57 WeakPolarHBondContact OD1-CG2 3.28Å; D48-T57 PolarHBondContact OD1-OG1 3.34Å |
| 49 | L | 95.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.131 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 163 | -179.2 | 69.2 | 162.3 | 0 | 0 | 0 | 110.9 | Y27 R47 V51 V56 L58 E166 V169 | Y27-L49 WeakPolarHBondContact OH-CD1 3.37Å; R47-L49 WeakPolarHBondContact O-CD2 3.44Å; L49-V51 HydrophobicContact CD1-CG2 3.45Å; L49-V51 VanDerWaalsContact CD1-CG2 3.45Å; L49-V51 HydrophobicContact CG-CG2 4.06Å; L49-V56 HydrophobicContact CD2-CB 4.35Å; L49-V56 WeakPolarHBondContact CD2-O 3.4Å; L49-V56 PolarHBondContact N-O 3.16Å; L49-V56 PolarHBondContact O-N 3.11Å; L49-L58 HydrophobicContact CD2-CB 3.86Å; L49-L58 HydrophobicContact CD2-CD1 3.82Å; L49-L58 HydrophobicContact CD2-CD2 4.46Å; L49-L58 HydrophobicContact CD2-CG 4.25Å; L49-E166 HydrophobicContact CD1-CG 4.34Å; L49-V169 HydrophobicContact CD1-CG2 4.22Å |
| 50 | E | 94.8 | Very high | 94.6 | Very high | 110 Ų | 110 | 62.6 Ų | 62.6 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.7 | 170.5 | -172.4 | -178.2 | 165.7 | 0 | 0 | 108.1 | G53 R54 F55 | E50-G53 WeakPolarHBondContact OE1-CA 3.4Å; E50-R54 WeakPolarHBondContact CA-O 3.12Å; E50-F55 HydrophobicContact CB-CD1 4.04Å; E50-F55 HydrophobicContact CB-CE1 3.97Å; E50-F55 HydrophobicContact CG-CD1 4.19Å; E50-F55 HydrophobicContact CG-CE1 3.98Å; E50-F55 HydrophobicContact CG-CZ 4.2Å; E50-F55 VanDerWaalsContact OE2-CE1 3.23Å; E50-F55 WeakPolarHBondContact OE2-CE1 3.3Å; E50-F55 VanDerWaalsContact OE2-CZ 3.24Å; E50-F55 WeakPolarHBondContact OE2-CZ 3.41Å |
| 51 | V | 94.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.4 | 176.9 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | L49 G53 R54 E166 V169 R170 | L49-V51 HydrophobicContact CD1-CG2 3.45Å; L49-V51 VanDerWaalsContact CD1-CG2 3.45Å; L49-V51 HydrophobicContact CG-CG2 4.06Å; V51-G53 PolarHBondContact O-N 3.47Å; V51-G53 VanDerWaalsContact O-N 3.13Å; V51-R54 PolarHBondContact N-O 3.39Å; V51-R54 VanDerWaalsContact O-CB 3.32Å; V51-R54 WeakPolarHBondContact O-CB 3.43Å; V51-R54 PolarHBondContact O-N 3Å; V51-E166 HydrophobicContact CG2-CB 4.42Å; V51-E166 HydrophobicContact CG2-CG 4.17Å; V51-V169 HydrophobicContact CB-CB 4.37Å; V51-V169 HydrophobicContact CB-CG1 3.85Å; V51-V169 HydrophobicContact CG1-CB 4.37Å; V51-V169 HydrophobicContact CG1-CG1 4.15Å; V51-V169 HydrophobicContact CG2-CB 4.03Å; V51-V169 HydrophobicContact CG2-CG1 3.88Å; V51-V169 HydrophobicContact CG2-CG2 4.27Å; V51-R170 HydrophobicContact CG1-CG 3.64Å |
| 52 | D | 91.8 | Very high | 95.6 | Very high | 128 Ų | 128 | 58 Ų | 58 | 68% | 0.684 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 39.7 | 178.9 | -55.1 | -32.9 | 0 | 0 | 0 | 113.9 | R54 R170 | D52-R54 VanDerWaalsContact C-N 3.31Å; D52-R54 PolarHBondContact O-N 3.18Å; D52-R170 VanDerWaalsContact OD2-CD 3.32Å; D52-R170 WeakPolarHBondContact OD2-CD 3.47Å; D52-R170 WeakPolarHBondContact OD2-CG 3.49Å; D52-R170 IonicContact OD2-NE 2.87Å |
| 53 | G | 90.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 4.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | E50 V51 | E50-G53 WeakPolarHBondContact OE1-CA 3.4Å; V51-G53 PolarHBondContact O-N 3.47Å; V51-G53 VanDerWaalsContact O-N 3.13Å |
| 54 | R | 90.7 | Very high | 95.7 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 38% | 0.381 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.3 | 179.5 | -58.6 | -71.1 | -66.6 | -83 | -5.2 | 110.2 | E50 V51 D52 L173 | E50-R54 WeakPolarHBondContact CA-O 3.12Å; V51-R54 PolarHBondContact N-O 3.39Å; V51-R54 VanDerWaalsContact O-CB 3.32Å; V51-R54 WeakPolarHBondContact O-CB 3.43Å; V51-R54 PolarHBondContact O-N 3Å; D52-R54 VanDerWaalsContact C-N 3.31Å; D52-R54 PolarHBondContact O-N 3.18Å; R54-L173 HydrophobicContact CB-CD1 4.15Å; R54-L173 HydrophobicContact CG-CD1 4.14Å |
| 55 | F | 94.3 | Very high | 95.6 | Very high | 135 Ų | 135 | 47.1 Ų | 47.1 | 59% | 0.592 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 124.8 | 173.3 | -66.3 | -79.2 | 0 | 0 | 0 | 110.9 | L6 E50 | L6-F55 PolarHBondContact N-O 3.49Å; E50-F55 HydrophobicContact CB-CD1 4.04Å; E50-F55 HydrophobicContact CB-CE1 3.97Å; E50-F55 HydrophobicContact CG-CD1 4.19Å; E50-F55 HydrophobicContact CG-CE1 3.98Å; E50-F55 HydrophobicContact CG-CZ 4.2Å; E50-F55 VanDerWaalsContact OE2-CE1 3.23Å; E50-F55 WeakPolarHBondContact OE2-CE1 3.3Å; E50-F55 VanDerWaalsContact OE2-CZ 3.24Å; E50-F55 WeakPolarHBondContact OE2-CZ 3.41Å |
| 56 | V | 96.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 141.3 | -175.8 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | L6 L8 D48 L49 L58 V169 | L6-V56 HydrophobicContact CB-CG1 4.47Å; L6-V56 HydrophobicContact CB-CG2 4.4Å; L6-V56 HydrophobicContact CD2-CG2 4.4Å; L6-V56 CarbonylContact O-C 3.56Å; L6-V56 WeakPolarHBondContact O-CA 3.29Å; L6-V56 VanDerWaalsContact O-CG1 3.31Å; L6-V56 WeakPolarHBondContact O-CG1 3.27Å; L8-V56 HydrophobicContact CB-CG1 4.05Å; L8-V56 HydrophobicContact CD1-CG1 3.7Å; L8-V56 HydrophobicContact CG-CG1 3.6Å; D48-V56 WeakPolarHBondContact CA-O 3.28Å; L49-V56 HydrophobicContact CD2-CB 4.35Å; L49-V56 WeakPolarHBondContact CD2-O 3.4Å; L49-V56 PolarHBondContact N-O 3.16Å; L49-V56 PolarHBondContact O-N 3.11Å; V56-L58 HydrophobicContact CG1-CD1 3.75Å; V56-V169 HydrophobicContact CG2-CG1 4.05Å |
| 57 | T | 97.3 | Very high | 95.1 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 112.6 | 162.6 | -59.6 | 0 | 0 | 0 | 0 | 108.1 | S5 L6 L7 L8 D48 | S5-T57 PolarHBondContact OG-OG1 3.42Å; L6-T57 PolarHBondContact O-N 3.37Å; L7-T57 WeakPolarHBondContact CA-O 3.45Å; L7-T57 HydrophobicContact CD1-CG2 3.71Å; L8-T57 PolarHBondContact N-O 3.34Å; D48-T57 VanDerWaalsContact OD1-CB 3.27Å; D48-T57 WeakPolarHBondContact OD1-CB 3.43Å; D48-T57 VanDerWaalsContact OD1-CG2 3.29Å; D48-T57 WeakPolarHBondContact OD1-CG2 3.28Å; D48-T57 PolarHBondContact OD1-OG1 3.34Å |
| 58 | L | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122.2 | 174.1 | -118.8 | 67.1 | 0 | 0 | 0 | 110.2 | L8 V10 N46 R47 L49 V56 I60 F165 V169 | L8-L58 HydrophobicContact CB-CD1 3.99Å; L8-L58 HydrophobicContact CD1-CD1 4.4Å; V10-L58 HydrophobicContact CG2-CD1 4.5Å; V10-L58 HydrophobicContact CG2-CD2 4.08Å; V10-L58 HydrophobicContact CG2-CG 3.99Å; N46-L58 CarbonylContact C-O 3.54Å; N46-L58 VanDerWaalsContact CA-O 3.23Å; N46-L58 WeakPolarHBondContact CA-O 3.21Å; R47-L58 PolarHBondContact N-O 3.16Å; R47-L58 PolarHBondContact O-N 3.28Å; L49-L58 HydrophobicContact CD2-CB 3.86Å; L49-L58 HydrophobicContact CD2-CD1 3.82Å; L49-L58 HydrophobicContact CD2-CD2 4.46Å; L49-L58 HydrophobicContact CD2-CG 4.25Å; V56-L58 HydrophobicContact CG1-CD1 3.75Å; L58-I60 HydrophobicContact CB-CG1 4.16Å; L58-I60 HydrophobicContact CD2-CD1 4.4Å; L58-I60 HydrophobicContact CD2-CG1 4.23Å; L58-I60 HydrophobicContact CG-CG1 4.47Å; L58-F165 HydrophobicContact CD2-CB 4.33Å; L58-F165 HydrophobicContact CD2-CD1 4.3Å; L58-V169 HydrophobicContact CD1-CG2 3.26Å; L58-V169 HydrophobicContact CD2-CG2 4.1Å; L58-V169 HydrophobicContact CG-CG2 4.31Å |
| 59 | Q | 98.3 | Very high | 94.7 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 105.3 | 166.3 | -171.6 | 178.6 | 74.8 | 0 | 0 | 108.4 | L7 L8 K9 V10 F44 N46 W61 | L7-Q59 HydrophobicContact CD1-CB 4.26Å; L8-Q59 PolarHBondContact O-N 2.79Å; K9-Q59 WeakPolarHBondContact CA-O 3.47Å; V10-Q59 PolarHBondContact N-O 3.26Å; F44-Q59 HydrophobicContact CB-CG 4.43Å; F44-Q59 HydrophobicContact CD2-CG 3.75Å; F44-Q59 HydrophobicContact CE2-CG 4.4Å; F44-Q59 HydrophobicContact CG-CG 4.3Å; N46-Q59 WeakPolarHBondContact OD1-CG 3.49Å; Q59-W61 VanDerWaalsContact CD-NE1 3.32Å; Q59-W61 VanDerWaalsContact CG-NE1 3.33Å; Q59-W61 VanDerWaalsContact OE1-CE2 3.29Å; Q59-W61 VanDerWaalsContact OE1-CZ2 3.27Å |
| 60 | I | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.4 | -172.3 | -54.1 | 170.9 | 0 | 0 | 0 | 108.6 | V10 L12 M24 Y27 V28 F44 L45 L58 F165 | V10-I60 CarbonylContact O-C 3.56Å; V10-I60 WeakPolarHBondContact O-CA 3.13Å; L12-I60 HydrophobicContact CD1-CG2 3.37Å; M24-I60 HydrophobicContact CB-CG2 4.3Å; M24-I60 HydrophobicContact CG-CB 4.34Å; M24-I60 HydrophobicContact CG-CG2 3.8Å; M24-I60 HydrophobicContact SD-CG2 4.19Å; Y27-I60 HydrophobicContact CD1-CD1 3.5Å; Y27-I60 HydrophobicContact CE1-CD1 3.76Å; V28-I60 HydrophobicContact CG2-CD1 3.94Å; F44-I60 CarbonylContact C-O 3.58Å; F44-I60 WeakPolarHBondContact CA-O 3.47Å; F44-I60 VanDerWaalsContact CB-O 3.27Å; F44-I60 WeakPolarHBondContact CB-O 3.44Å; L45-I60 PolarHBondContact N-O 2.95Å; L45-I60 PolarHBondContact O-N 3.02Å; L58-I60 HydrophobicContact CB-CG1 4.16Å; L58-I60 HydrophobicContact CD2-CD1 4.4Å; L58-I60 HydrophobicContact CD2-CG1 4.23Å; L58-I60 HydrophobicContact CG-CG1 4.47Å; I60-F165 HydrophobicContact CD1-CD1 3.99Å; I60-F165 HydrophobicContact CD1-CE1 3.9Å; I60-F165 HydrophobicContact CG1-CD1 4.4Å; I60-F165 HydrophobicContact CG1-CE1 4.24Å; I60-F165 HydrophobicContact CG2-CE1 3.64Å; I60-F165 HydrophobicContact CG2-CZ 4.22Å |
| 61 | W | 98.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 110.6 | -176.9 | -67.6 | 74.7 | 0 | 0 | 0 | 110.7 | K9 V10 I11 L12 V42 E43 F44 Q59 F76 | K9-W61 HydrophobicContact CD-CZ2 4.5Å; K9-W61 HydrophobicContact CG-CG 4.5Å; V10-W61 PolarHBondContact O-N 3.26Å; I11-W61 HydrophobicContact CB-CB 4.24Å; I11-W61 HydrophobicContact CG1-CB 3.98Å; L12-W61 PolarHBondContact N-O 3.27Å; V42-W61 HydrophobicContact CG1-CE3 3.42Å; V42-W61 VanDerWaalsContact CG1-CE3 3.42Å; V42-W61 HydrophobicContact CG1-CZ3 3.86Å; E43-W61 CarbonylContact O-C 3.55Å; E43-W61 WeakPolarHBondContact O-CA 3.45Å; F44-W61 HydrophobicContact CB-CD2 3.85Å; F44-W61 HydrophobicContact CB-CE3 4.11Å; F44-W61 HydrophobicContact CB-CG 4.05Å; F44-W61 HydrophobicContact CD1-CE3 4.34Å; F44-W61 AromaticContact CD1-CH2 3.94Å; F44-W61 HydrophobicContact CD1-CH2 3.94Å; F44-W61 HydrophobicContact CD1-CZ2 4.22Å; F44-W61 AromaticContact CD1-CZ3 3.99Å; F44-W61 HydrophobicContact CD1-CZ3 3.99Å; F44-W61 HydrophobicContact CE1-CH2 4.38Å; F44-W61 HydrophobicContact CG-CD2 4.44Å; F44-W61 HydrophobicContact CG-CZ2 4.4Å; Q59-W61 VanDerWaalsContact CD-NE1 3.32Å; Q59-W61 VanDerWaalsContact CG-NE1 3.33Å; Q59-W61 VanDerWaalsContact OE1-CE2 3.29Å; Q59-W61 VanDerWaalsContact OE1-CZ2 3.27Å; W61-F76 HydrophobicContact CE3-CB 4.17Å; W61-F76 HydrophobicContact CE3-CD1 4.06Å; W61-F76 HydrophobicContact CE3-CG 4.36Å; W61-F76 AromaticContact CH2-CD1 3.85Å; W61-F76 HydrophobicContact CH2-CD1 3.85Å; W61-F76 HydrophobicContact CH2-CE1 4.36Å; W61-F76 HydrophobicContact CZ3-CB 4.18Å; W61-F76 AromaticContact CZ3-CD1 3.25Å; W61-F76 HydrophobicContact CZ3-CD1 3.25Å; W61-F76 AromaticContact CZ3-CE1 3.84Å; W61-F76 HydrophobicContact CZ3-CE1 3.84Å; W61-F76 AromaticContact CZ3-CG 3.97Å; W61-F76 HydrophobicContact CZ3-CG 3.97Å |
| 62 | D | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 139.1 | 168.3 | -179.6 | 46.4 | 0 | 0 | 0 | 110.7 | K20 S21 M24 T39 V42 E43 | K20-D62 WeakPolarHBondContact CB-OD1 3.45Å; S21-D62 VanDerWaalsContact CB-OD2 3.25Å; S21-D62 WeakPolarHBondContact CB-OD2 3.32Å; S21-D62 PolarHBondContact N-OD1 3.45Å; S21-D62 VanDerWaalsContact OG-CG 3.26Å; S21-D62 PolarHBondContact OG-OD1 3.47Å; S21-D62 PolarHBondContact OG-OD2 3.27Å; M24-D62 HydrophobicContact CE-CB 3.61Å; M24-D62 HydrophobicContact SD-CB 3.66Å; T39-D62 PolarHBondContact OG1-OD2 2.97Å; V42-D62 WeakPolarHBondContact CA-O 3.26Å; V42-D62 WeakPolarHBondContact CG1-O 3.34Å; E43-D62 PolarHBondContact N-O 3.17Å; E43-D62 VanDerWaalsContact N-O 3.08Å; E43-D62 PolarHBondContact O-N 3.37Å |
| 63 | T | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.2 | -174.6 | 70.3 | 0 | 0 | 0 | 0 | 113.1 | I11 L12 L13 K20 V42 G65 R73 | I11-T63 HydrophobicContact CD1-CG2 3.82Å; I11-T63 HydrophobicContact CG1-CG2 3.76Å; L12-T63 PolarHBondContact O-OG1 3.47Å; L13-T63 HydrophobicContact CD2-CG2 4.1Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.41Å; K20-T63 WeakPolarHBondContact CE-O 3.5Å; V42-T63 HydrophobicContact CG2-CG2 4.32Å; T63-G65 PolarHBondContact O-N 2.69Å; T63-R73 HydrophobicContact CG2-CB 4.44Å |
| 64 | A | 94.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -63.2 | 118.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T39 G41 F69 R73 | T39-A64 WeakPolarHBondContact O-CB 3.07Å; G41-A64 WeakPolarHBondContact O-CB 3.44Å; G41-A64 PolarHBondContact O-N 3.37Å; A64-F69 HydrophobicContact CB-CB 3.6Å; A64-F69 HydrophobicContact CB-CD2 4.07Å; A64-F69 HydrophobicContact CB-CG 4.24Å; A64-R73 VanDerWaalsContact O-CD 3.28Å; A64-R73 WeakPolarHBondContact O-CD 2.92Å; A64-R73 PolarHBondContact O-NH1 2.98Å | ||
| 65 | G | 93.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | trans | -81.5 | -9.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G14 G16 T63 W101 | G14-G65 WeakPolarHBondContact O-CA 3.36Å; G16-G65 PolarHBondContact N-O 2.84Å; T63-G65 PolarHBondContact O-N 2.69Å; G65-W101 WeakPolarHBondContact O-CZ2 3.42Å | ||
| 66 | Q | 93.3 | Very high | 95.6 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -83 | 138.1 | 179.2 | -59.1 | -173.7 | 13 | 0 | 0 | 111 | H38 R68 F69 R73 | H38-Q66 PolarHBondContact CD2-NE2 2.91Å; Q66-R68 VanDerWaalsContact C-N 3.29Å; Q66-R68 HydrophobicContact CB-CG 3.99Å; Q66-R68 PolarHBondContact O-N 2.86Å; Q66-F69 HydrophobicContact CB-CD2 3.82Å; Q66-F69 HydrophobicContact CB-CE2 4.25Å; Q66-F69 HydrophobicContact CG-CD2 4.41Å; Q66-F69 HydrophobicContact CG-CE2 4.47Å; Q66-F69 PolarHBondContact O-N 2.8Å; Q66-R73 PolarHBondContact O-NH1 3.43Å |
| 67 | E | 90.1 | Very high | 95.7 | Very high | 166 Ų | 166 | 45.4 Ų | 45.4 | 78% | 0.776 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -57.5 | -39.6 | -179.1 | -171 | -176.9 | -170.2 | 0 | 0 | 112.9 | F69 K70 | E67-F69 PolarHBondContact O-N 3.35Å; E67-K70 WeakPolarHBondContact O-CB 3.25Å; E67-K70 PolarHBondContact O-N 3.43Å |
| 68 | R | 92.9 | Very high | 95.7 | Very high | 188 Ų | 188 | 51.7 Ų | 51.7 | 71% | 0.709 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -57.5 | -15.3 | 176.8 | 61.1 | -179.8 | -99.6 | -174.8 | -3 | 114.9 | Q66 | Q66-R68 VanDerWaalsContact C-N 3.29Å; Q66-R68 HydrophobicContact CB-CG 3.99Å; Q66-R68 PolarHBondContact O-N 2.86Å |
| 69 | F | 93.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -108.8 | 11.4 | 178.1 | -56.6 | -47.2 | 0 | 0 | 0 | 113.1 | I40 A64 Q66 E67 S71 L72 R73 | I40-F69 HydrophobicContact CB-CE1 4.49Å; I40-F69 HydrophobicContact CB-CE2 4.39Å; I40-F69 HydrophobicContact CB-CZ 4.24Å; I40-F69 HydrophobicContact CG1-CE2 4.05Å; I40-F69 HydrophobicContact CG1-CZ 3.86Å; I40-F69 HydrophobicContact CG2-CD1 4.13Å; I40-F69 HydrophobicContact CG2-CE1 3.77Å; I40-F69 HydrophobicContact CG2-CZ 3.98Å; I40-F69 WeakPolarHBondContact O-CG 3.39Å; A64-F69 HydrophobicContact CB-CB 3.6Å; A64-F69 HydrophobicContact CB-CD2 4.07Å; A64-F69 HydrophobicContact CB-CG 4.24Å; Q66-F69 HydrophobicContact CB-CD2 3.82Å; Q66-F69 HydrophobicContact CB-CE2 4.25Å; Q66-F69 HydrophobicContact CG-CD2 4.41Å; Q66-F69 HydrophobicContact CG-CE2 4.47Å; Q66-F69 PolarHBondContact O-N 2.8Å; E67-F69 PolarHBondContact O-N 3.35Å; F69-S71 VanDerWaalsContact C-N 3.32Å; F69-S71 PolarHBondContact O-N 3.39Å; F69-L72 HydrophobicContact CB-CD1 4.42Å; F69-L72 HydrophobicContact CD1-CD1 4.05Å; F69-L72 WeakPolarHBondContact O-CB 3.47Å; F69-L72 PolarHBondContact O-N 3.13Å; F69-R73 PolarHBondContact O-N 3.17Å |
| 70 | K | 93.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -53.2 | -44.7 | -179.9 | 178.6 | 170 | 177.2 | 150.8 | 0 | 113.3 | E67 L72 R73 T74 E104 | E67-K70 WeakPolarHBondContact O-CB 3.25Å; E67-K70 PolarHBondContact O-N 3.43Å; K70-L72 PolarHBondContact O-N 3.24Å; K70-L72 VanDerWaalsContact O-N 3.16Å; K70-R73 WeakPolarHBondContact O-CG 3.4Å; K70-R73 PolarHBondContact O-N 2.89Å; K70-T74 HydrophobicContact CG-CG2 3.91Å; K70-T74 WeakPolarHBondContact O-CG2 3.2Å; K70-T74 PolarHBondContact O-N 2.96Å; K70-T74 VanDerWaalsContact O-N 3.16Å; K70-T74 PolarHBondContact O-OG1 2.57Å; K70-E104 VanDerWaalsContact CD-OE2 3.32Å; K70-E104 WeakPolarHBondContact CD-OE2 3.49Å; K70-E104 WeakPolarHBondContact CE-OE2 3.37Å; K70-E104 IonicContact NZ-OE2 2.72Å; K70-E104 PolarHBondContact NZ-OE2 2.94Å |
| 71 | S | 94.6 | Very high | 95.7 | Very high | 93 Ų | 93 | 55.6 Ų | 55.6 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.5 | -18.3 | 178.6 | 55.4 | 0 | 0 | 0 | 0 | 114 | F69 | F69-S71 VanDerWaalsContact C-N 3.32Å; F69-S71 PolarHBondContact O-N 3.39Å |
| 72 | L | 94.7 | Very high | 95.7 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -88.4 | -24.4 | 177.7 | -58.6 | 177.7 | 0 | 0 | 0 | 112.5 | I40 F69 K70 F76 | I40-L72 HydrophobicContact CG2-CD1 4.34Å; I40-L72 WeakPolarHBondContact O-CD1 3.48Å; F69-L72 HydrophobicContact CB-CD1 4.42Å; F69-L72 HydrophobicContact CD1-CD1 4.05Å; F69-L72 WeakPolarHBondContact O-CB 3.47Å; F69-L72 PolarHBondContact O-N 3.13Å; K70-L72 PolarHBondContact O-N 3.24Å; K70-L72 VanDerWaalsContact O-N 3.16Å; L72-F76 WeakPolarHBondContact O-CD2 3.26Å; L72-F76 VanDerWaalsContact O-CE2 3.29Å; L72-F76 WeakPolarHBondContact O-CE2 3.33Å |
| 73 | R | 95.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -95.9 | -38.3 | -178.6 | 71 | 179.7 | 177.1 | -114.8 | 2.5 | 114.4 | V42 T63 A64 Q66 F69 K70 F76 Y77 W101 E104 | V42-R73 HydrophobicContact CG2-CB 4.07Å; T63-R73 HydrophobicContact CG2-CB 4.44Å; A64-R73 VanDerWaalsContact O-CD 3.28Å; A64-R73 WeakPolarHBondContact O-CD 2.92Å; A64-R73 PolarHBondContact O-NH1 2.98Å; Q66-R73 PolarHBondContact O-NH1 3.43Å; F69-R73 PolarHBondContact O-N 3.17Å; K70-R73 WeakPolarHBondContact O-CG 3.4Å; K70-R73 PolarHBondContact O-N 2.89Å; R73-F76 WeakPolarHBondContact O-CB 3.36Å; R73-F76 PolarHBondContact O-N 3.41Å; R73-Y77 HydrophobicContact CB-CE1 4.18Å; R73-Y77 WeakPolarHBondContact CD-OH 3.39Å; R73-Y77 HydrophobicContact CG-CE1 3.98Å; R73-Y77 WeakPolarHBondContact CG-OH 3.14Å; R73-Y77 PolarHBondContact NE-OH 3.49Å; R73-Y77 WeakPolarHBondContact O-CD1 3.28Å; R73-W101 VanDerWaalsContact NE-CZ3 3.31Å; R73-E104 IonicContact CZ-OE1 3.81Å; R73-E104 VanDerWaalsContact CZ-OE1 3.3Å; R73-E104 IonicContact NE-OE1 3.3Å; R73-E104 PolarHBondContact NE-OE1 3.49Å; R73-E104 VanDerWaalsContact NH2-CD 3.33Å; R73-E104 IonicContact NH2-OE1 2.79Å; R73-E104 PolarHBondContact NH2-OE1 3.41Å; R73-E104 IonicContact NH2-OE2 3.92Å; R73-E104 PolarHBondContact NH2-OE2 3.26Å |
| 74 | T | 96.7 | Very high | 95.8 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -62.2 | -30.7 | -170.3 | 55.5 | 0 | 0 | 0 | 0 | 114.9 | K70 F76 Y77 E104 Y108 | K70-T74 HydrophobicContact CG-CG2 3.91Å; K70-T74 WeakPolarHBondContact O-CG2 3.2Å; K70-T74 PolarHBondContact O-N 2.96Å; K70-T74 VanDerWaalsContact O-N 3.16Å; K70-T74 PolarHBondContact O-OG1 2.57Å; T74-F76 PolarHBondContact O-N 3.36Å; T74-F76 VanDerWaalsContact O-N 3.09Å; T74-Y77 HydrophobicContact CG2-CE2 4.01Å; T74-Y77 PolarHBondContact O-N 3.12Å; T74-E104 HydrophobicContact CG2-CG 4.5Å; T74-Y108 HydrophobicContact CG2-CD1 4.11Å; T74-Y108 HydrophobicContact CG2-CD2 3.49Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.49Å; T74-Y108 HydrophobicContact CG2-CE1 4.33Å; T74-Y108 HydrophobicContact CG2-CE2 3.76Å; T74-Y108 HydrophobicContact CG2-CG 3.69Å |
| 75 | P | 97.1 | Very high | 96 | Very high | 89 Ų | 89 | 54.1 Ų | 54.1 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -60 | -20.9 | 174.3 | -25.3 | 36.7 | 0 | 0 | 0 | 114.1 | ||
| 76 | F | 97.4 | Very high | 96.3 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -92.7 | -0.3 | -176.9 | -60.8 | -81.3 | 0 | 0 | 0 | 113.6 | K9 V42 W61 L72 R73 T74 | K9-F76 VanDerWaalsContact CE-O 3.28Å; K9-F76 WeakPolarHBondContact CE-O 3.41Å; K9-F76 PolarHBondContact NZ-O 3.46Å; V42-F76 HydrophobicContact CB-CD2 3.92Å; V42-F76 HydrophobicContact CB-CE2 4.06Å; V42-F76 HydrophobicContact CB-CG 4.3Å; V42-F76 HydrophobicContact CG1-CB 4.28Å; V42-F76 HydrophobicContact CG1-CD1 4.42Å; V42-F76 HydrophobicContact CG1-CD2 4.15Å; V42-F76 HydrophobicContact CG1-CG 4.03Å; V42-F76 HydrophobicContact CG2-CB 4.48Å; V42-F76 HydrophobicContact CG2-CD2 3.48Å; V42-F76 VanDerWaalsContact CG2-CD2 3.48Å; V42-F76 HydrophobicContact CG2-CE2 3.9Å; V42-F76 HydrophobicContact CG2-CG 4.12Å; W61-F76 HydrophobicContact CE3-CB 4.17Å; W61-F76 HydrophobicContact CE3-CD1 4.06Å; W61-F76 HydrophobicContact CE3-CG 4.36Å; W61-F76 AromaticContact CH2-CD1 3.85Å; W61-F76 HydrophobicContact CH2-CD1 3.85Å; W61-F76 HydrophobicContact CH2-CE1 4.36Å; W61-F76 HydrophobicContact CZ3-CB 4.18Å; W61-F76 AromaticContact CZ3-CD1 3.25Å; W61-F76 HydrophobicContact CZ3-CD1 3.25Å; W61-F76 AromaticContact CZ3-CE1 3.84Å; W61-F76 HydrophobicContact CZ3-CE1 3.84Å; W61-F76 AromaticContact CZ3-CG 3.97Å; W61-F76 HydrophobicContact CZ3-CG 3.97Å; L72-F76 WeakPolarHBondContact O-CD2 3.26Å; L72-F76 VanDerWaalsContact O-CE2 3.29Å; L72-F76 WeakPolarHBondContact O-CE2 3.33Å; R73-F76 WeakPolarHBondContact O-CB 3.36Å; R73-F76 PolarHBondContact O-N 3.41Å; T74-F76 PolarHBondContact O-N 3.36Å; T74-F76 VanDerWaalsContact O-N 3.09Å |
| 77 | Y | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -75 | -35.3 | -178.4 | -68.9 | 7.2 | 0 | 0 | 0 | 112.4 | I11 L13 R73 T74 G79 A80 E104 F105 | I11-Y77 HydrophobicContact CD1-CD1 3.43Å; I11-Y77 VanDerWaalsContact CD1-CD1 3.43Å; I11-Y77 HydrophobicContact CD1-CE1 3.89Å; I11-Y77 HydrophobicContact CD1-CG 4.34Å; L13-Y77 HydrophobicContact CD1-CE1 4.39Å; L13-Y77 HydrophobicContact CD1-CE2 4.14Å; L13-Y77 HydrophobicContact CD2-CD1 4.46Å; L13-Y77 HydrophobicContact CD2-CE1 3.54Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.1Å; R73-Y77 HydrophobicContact CB-CE1 4.18Å; R73-Y77 WeakPolarHBondContact CD-OH 3.39Å; R73-Y77 HydrophobicContact CG-CE1 3.98Å; R73-Y77 WeakPolarHBondContact CG-OH 3.14Å; R73-Y77 PolarHBondContact NE-OH 3.49Å; R73-Y77 WeakPolarHBondContact O-CD1 3.28Å; T74-Y77 HydrophobicContact CG2-CE2 4.01Å; T74-Y77 PolarHBondContact O-N 3.12Å; Y77-G79 PolarHBondContact O-N 2.57Å; Y77-A80 WeakPolarHBondContact O-CB 3.37Å; Y77-A80 PolarHBondContact O-N 3.34Å; Y77-E104 HydrophobicContact CE2-CG 4.08Å; Y77-E104 PolarHBondContact OH-OE1 3.2Å; Y77-F105 HydrophobicContact CD2-CB 4.5Å; Y77-F105 AromaticContact CD2-CD2 3.99Å; Y77-F105 HydrophobicContact CD2-CD2 3.99Å; Y77-F105 HydrophobicContact CG-CD2 4.13Å | ||
| 78 | R | 97.5 | Very high | 97 | Very high | 158 Ų | 158 | 43.3 Ų | 43.3 | 60% | 0.596 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 136 | -177.2 | -170.1 | 177.1 | -179.7 | 88.3 | -0.3 | 111.4 | K9 A80 D110 | K9-R78 PolarHBondContact NZ-O 2.64Å; R78-A80 VanDerWaalsContact C-N 3.28Å; R78-A80 PolarHBondContact O-N 3.22Å; R78-D110 IonicContact CZ-OD2 3.55Å; R78-D110 IonicContact NH1-OD2 3.53Å; R78-D110 PolarHBondContact NH1-OD2 2.85Å; R78-D110 IonicContact NH2-OD2 3.5Å |
| 79 | G | 96.6 | Very high | 97.2 | Very high | 53 Ų | 53 | 34.4 Ų | 34.4 | 55% | 0.546 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 15.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K9 Y77 | K9-G79 WeakPolarHBondContact CD-O 3.41Å; Y77-G79 PolarHBondContact O-N 2.57Å |
| 80 | A | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | trans | -69.9 | 137.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K9 I11 Y77 R78 F105 F117 | K9-A80 HydrophobicContact CG-CB 4.26Å; I11-A80 HydrophobicContact CB-CB 4.41Å; I11-A80 HydrophobicContact CG2-CB 3.88Å; Y77-A80 WeakPolarHBondContact O-CB 3.37Å; Y77-A80 PolarHBondContact O-N 3.34Å; R78-A80 VanDerWaalsContact C-N 3.28Å; R78-A80 PolarHBondContact O-N 3.22Å; A80-F105 HydrophobicContact CB-CE2 3.94Å; A80-F105 HydrophobicContact CB-CZ 3.96Å; A80-F117 VanDerWaalsContact O-CE2 3.28Å; A80-F117 WeakPolarHBondContact O-CE2 3.45Å; A80-F117 WeakPolarHBondContact O-CZ 3.4Å | ||
| 81 | D | 98.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -91.7 | -28.2 | 178.4 | -54.4 | -58.7 | 0 | 0 | 0 | 111 | L8 K9 P118 V172 | L8-D81 WeakPolarHBondContact CA-OD2 3.23Å; L8-D81 HydrophobicContact CD2-CB 4.33Å; K9-D81 PolarHBondContact N-OD2 3.28Å; K9-D81 PolarHBondContact O-N 2.99Å; D81-P118 WeakPolarHBondContact O-CG 3.35Å; D81-V172 HydrophobicContact CB-CG1 4.05Å; D81-V172 HydrophobicContact CB-CG2 4.02Å; D81-V172 WeakPolarHBondContact O-CG2 3.47Å |
| 82 | C | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 148.7 | 173.8 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | K9 V10 I11 P118 A168 V172 | K9-C82 PolarHBondContact O-N 3.27Å; V10-C82 WeakPolarHBondContact CA-O 3.31Å; V10-C82 HydrophobicContact CG2-CB 4.38Å; I11-C82 PolarHBondContact N-O 3.23Å; C82-P118 WeakPolarHBondContact CA-O 3.43Å; C82-P118 HydrophobicContact CB-CB 4.05Å; C82-P118 PolarHBondContact SG-O 2.83Å; C82-A168 HydrophobicContact CB-CB 4.39Å; C82-V172 HydrophobicContact CB-CG2 3.63Å |
| 83 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.3 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 111 | I11 F105 F117 P118 F119 V120 | I11-C83 HydrophobicContact CG2-CB 4.06Å; C83-F105 HydrophobicContact CB-CD1 4.21Å; C83-F105 HydrophobicContact CB-CD2 4.32Å; C83-F105 HydrophobicContact CB-CE1 4.08Å; C83-F105 HydrophobicContact CB-CE2 4.19Å; C83-F105 HydrophobicContact CB-CG 4.31Å; C83-F105 HydrophobicContact CB-CZ 4.07Å; C83-F117 HydrophobicContact CB-CE1 3.88Å; C83-P118 PolarHBondContact N-O 3.16Å; C83-F119 HydrophobicContact CB-CD1 3.61Å; C83-F119 HydrophobicContact CB-CE1 3.72Å; C83-F119 WeakPolarHBondContact O-CA 3.35Å; C83-V120 PolarHBondContact O-N 3.34Å |
| 84 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 100.6 | 172.1 | -62.5 | -179 | 0 | 0 | 0 | 109.3 | V10 I11 L12 L13 T86 V120 L122 F165 A168 | V10-L84 HydrophobicContact CG1-CD1 3.68Å; V10-L84 HydrophobicContact CG1-CD2 4.49Å; V10-L84 HydrophobicContact CG1-CG 3.69Å; I11-L84 PolarHBondContact O-N 2.79Å; L12-L84 HydrophobicContact CD2-CD1 4.39Å; L12-L84 HydrophobicContact CG-CB 4.18Å; L12-L84 HydrophobicContact CG-CD1 4.06Å; L13-L84 PolarHBondContact N-O 3.35Å; L84-T86 PolarHBondContact O-N 3.19Å; L84-T86 PolarHBondContact O-OG1 3.17Å; L84-V120 CarbonylContact C-O 3.56Å; L84-V120 WeakPolarHBondContact CA-O 3.41Å; L84-V120 HydrophobicContact CD2-CB 3.64Å; L84-V120 HydrophobicContact CD2-CG1 4.09Å; L84-V120 HydrophobicContact CD2-CG2 4.33Å; L84-L122 HydrophobicContact CB-CD1 4.15Å; L84-L122 HydrophobicContact CD1-CD1 4.18Å; L84-L122 HydrophobicContact CD2-CD1 4.42Å; L84-L122 HydrophobicContact CG-CD1 4.48Å; L84-F165 HydrophobicContact CD1-CD1 3.84Å; L84-F165 HydrophobicContact CD1-CE1 3.5Å; L84-F165 HydrophobicContact CD1-CZ 4.13Å; L84-A168 HydrophobicContact CD2-CB 3.9Å |
| 85 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 109.9 | 175.2 | -67.4 | 174.4 | 0 | 0 | 0 | 109.3 | L13 L98 W101 Q102 F119 V120 V121 L122 W141 | L13-L85 HydrophobicContact CB-CD2 4.34Å; L85-L98 HydrophobicContact CB-CD2 3.94Å; L85-W101 HydrophobicContact CD2-CB 3.86Å; L85-Q102 HydrophobicContact CD1-CB 4.02Å; L85-Q102 HydrophobicContact CD1-CG 4.34Å; L85-F119 HydrophobicContact CD1-CB 4.5Å; L85-F119 HydrophobicContact CD1-CD1 3.81Å; L85-F119 HydrophobicContact CD1-CE1 4.45Å; L85-F119 HydrophobicContact CD1-CG 4.41Å; L85-F119 HydrophobicContact CG-CD1 4.03Å; L85-V120 PolarHBondContact N-O 2.89Å; L85-V121 HydrophobicContact CB-CG2 4.48Å; L85-V121 CarbonylContact O-C 3.33Å; L85-V121 WeakPolarHBondContact O-CA 3.19Å; L85-L122 PolarHBondContact O-N 3.16Å; L85-W141 HydrophobicContact CD1-CH2 4.34Å |
| 86 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.6 | -170.3 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | L13 G14 V18 K20 L23 L84 L122 N124 | L13-T86 WeakPolarHBondContact O-CB 3.04Å; L13-T86 PolarHBondContact O-N 2.72Å; G14-T86 VanDerWaalsContact CA-O 3.29Å; G14-T86 WeakPolarHBondContact CA-O 3.35Å; V18-T86 HydrophobicContact CB-CG2 4.45Å; V18-T86 HydrophobicContact CG2-CG2 3.84Å; K20-T86 HydrophobicContact CG-CG2 4.34Å; L23-T86 HydrophobicContact CD1-CG2 3.86Å; L84-T86 PolarHBondContact O-N 3.19Å; L84-T86 PolarHBondContact O-OG1 3.17Å; T86-L122 WeakPolarHBondContact CA-O 3.49Å; T86-L122 HydrophobicContact CG2-CB 4.24Å; T86-N124 HydrophobicContact CG2-CB 4.26Å |
| 87 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 173.4 | 167.2 | 75.6 | -83.4 | 0 | 0 | 0 | 110.1 | V89 F95 L98 V121 L122 G123 N124 V133 A138 Y150 | F87-V89 HydrophobicContact CE2-CG1 4.23Å; F87-F95 HydrophobicContact CB-CB 4.38Å; F87-F95 HydrophobicContact CD1-CD2 4.07Å; F87-F95 HydrophobicContact CD2-CB 3.73Å; F87-F95 AromaticContact CD2-CD2 4Å; F87-F95 HydrophobicContact CD2-CD2 4Å; F87-F95 HydrophobicContact CD2-CG 4.3Å; F87-F95 AromaticContact CE1-CD2 3.93Å; F87-F95 HydrophobicContact CE1-CD2 3.93Å; F87-F95 HydrophobicContact CE1-CE2 4.42Å; F87-F95 HydrophobicContact CE2-CB 4.21Å; F87-F95 AromaticContact CE2-CD2 3.89Å; F87-F95 HydrophobicContact CE2-CD2 3.89Å; F87-F95 HydrophobicContact CE2-CG 4.38Å; F87-F95 HydrophobicContact CG-CB 4.11Å; F87-F95 HydrophobicContact CG-CD2 4.1Å; F87-F95 AromaticContact CZ-CD2 3.85Å; F87-F95 HydrophobicContact CZ-CD2 3.85Å; F87-F95 HydrophobicContact CZ-CE2 4.38Å; F87-L98 HydrophobicContact CB-CD2 4.2Å; F87-L98 HydrophobicContact CB-CG 4.43Å; F87-L98 HydrophobicContact CD1-CD1 3.82Å; F87-L98 HydrophobicContact CD1-CD2 4.26Å; F87-L98 HydrophobicContact CD1-CG 4.43Å; F87-L98 HydrophobicContact CE1-CD1 4.31Å; F87-L98 HydrophobicContact CG-CD1 4.41Å; F87-V121 HydrophobicContact CD1-CG1 4.2Å; F87-V121 HydrophobicContact CE1-CG1 4Å; F87-L122 VanDerWaalsContact CD1-O 3.28Å; F87-L122 WeakPolarHBondContact CD1-O 3.39Å; F87-L122 PolarHBondContact N-O 3.48Å; F87-G123 VanDerWaalsContact CE1-CA 3.49Å; F87-N124 PolarHBondContact O-N 3.36Å; F87-V133 HydrophobicContact CE2-CB 4Å; F87-V133 HydrophobicContact CE2-CG1 3.86Å; F87-V133 HydrophobicContact CE2-CG2 4.25Å; F87-V133 HydrophobicContact CZ-CG1 4.26Å; F87-A138 HydrophobicContact CE1-CB 4.33Å; F87-A138 HydrophobicContact CZ-CB 3.84Å; F87-Y150 AromaticContact CE1-CE2 3.7Å; F87-Y150 HydrophobicContact CE1-CE2 3.7Å; F87-Y150 AromaticContact CZ-CE2 3.87Å; F87-Y150 HydrophobicContact CZ-CE2 3.87Å |
| 88 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.7 | 176.2 | -152.7 | 0 | 0 | 0 | 0 | 109.8 | D90 D91 S94 K125 | S88-D90 VanDerWaalsContact CB-OD1 3.3Å; S88-D90 WeakPolarHBondContact CB-OD1 3.32Å; S88-D90 PolarHBondContact O-N 3.47Å; S88-D90 VanDerWaalsContact O-N 3.16Å; S88-D90 PolarHBondContact OG-OD1 3.36Å; S88-D91 PolarHBondContact O-N 2.94Å; S88-S94 PolarHBondContact N-OG 3.27Å; S88-K125 WeakPolarHBondContact OG-CD 3.3Å; S88-K125 WeakPolarHBondContact OG-CE 3.26Å; S88-K125 WeakPolarHBondContact OG-CG 3.44Å; S88-K125 PolarHBondContact OG-NZ 2.74Å |
| 89 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.2 | -178.4 | -57.5 | 0 | 0 | 0 | 0 | 113.1 | F87 N124 K125 I126 R131 Q132 V133 | F87-V89 HydrophobicContact CE2-CG1 4.23Å; V89-N124 WeakPolarHBondContact CG2-O 3.48Å; V89-N124 PolarHBondContact N-O 3Å; V89-K125 WeakPolarHBondContact CG2-O 3.22Å; V89-I126 HydrophobicContact CG1-CG2 3.96Å; V89-I126 HydrophobicContact CG2-CG2 4.39Å; V89-R131 HydrophobicContact CB-CG 4.47Å; V89-R131 VanDerWaalsContact CG1-NH2 3.34Å; V89-R131 HydrophobicContact CG2-CG 4.08Å; V89-R131 CarbonylContact O-C 3.6Å; V89-R131 WeakPolarHBondContact O-CA 3.47Å; V89-Q132 PolarHBondContact O-N 2.96Å; V89-V133 PolarHBondContact O-N 3.3Å |
| 90 | D | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 28.1 Ų | 28.1 | 20% | 0.198 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 10.5 | 174.2 | 69.7 | -25.1 | 0 | 0 | 0 | 113.5 | S88 K125 K128 Q132 | S88-D90 VanDerWaalsContact CB-OD1 3.3Å; S88-D90 WeakPolarHBondContact CB-OD1 3.32Å; S88-D90 PolarHBondContact O-N 3.47Å; S88-D90 VanDerWaalsContact O-N 3.16Å; S88-D90 PolarHBondContact OG-OD1 3.36Å; D90-K125 IonicContact OD1-NZ 2.81Å; D90-K128 HydrophobicContact CB-CB 4.2Å; D90-K128 HydrophobicContact CB-CG 4.31Å; D90-Q132 PolarHBondContact O-NE2 2.76Å |
| 91 | D | 98.5 | Very high | 98.7 | Very high | 50 Ų | 50 | 28.3 Ų | 28.3 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | trans | -138.2 | 99.7 | -179.6 | -177.5 | -14.2 | 0 | 0 | 0 | 111.3 | S88 Q93 S94 | S88-D91 PolarHBondContact O-N 2.94Å; D91-Q93 VanDerWaalsContact C-N 3.33Å; D91-Q93 PolarHBondContact O-N 3.49Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.29Å; D91-Q93 PolarHBondContact OD1-N 3.48Å; D91-S94 WeakPolarHBondContact CB-OG 3.41Å; D91-S94 PolarHBondContact O-N 3.34Å; D91-S94 PolarHBondContact O-OG 3.24Å; D91-S94 PolarHBondContact OD1-N 3Å; D91-S94 VanDerWaalsContact OD1-N 3.08Å | ||
| 92 | R | 98.5 | Very high | 98.7 | Very high | 83 Ų | 83 | 26.8 Ų | 26.8 | 31% | 0.313 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -57.5 | -42.3 | 178.4 | 179 | 60.1 | 174.8 | -157.3 | 14.8 | 113.2 | S94 F95 E96 Q132 E137 | R92-S94 VanDerWaalsContact C-N 3.28Å; R92-S94 PolarHBondContact O-N 3Å; R92-F95 WeakPolarHBondContact O-CB 3.29Å; R92-F95 PolarHBondContact O-N 3.43Å; R92-E96 IonicContact CZ-OE1 3.52Å; R92-E96 IonicContact NE-OE1 2.77Å; R92-E96 PolarHBondContact NE-OE1 3.17Å; R92-E96 IonicContact NH2-OE1 3.74Å; R92-E96 PolarHBondContact O-N 3.02Å; R92-E96 VanDerWaalsContact O-N 3.1Å; R92-Q132 HydrophobicContact CB-CB 4.14Å; R92-E137 IonicContact CZ-OE1 3.8Å; R92-E137 IonicContact CZ-OE2 2.76Å; R92-E137 IonicContact NH1-OE1 3.54Å; R92-E137 PolarHBondContact NH1-OE1 3.26Å; R92-E137 IonicContact NH1-OE2 2.83Å; R92-E137 PolarHBondContact NH1-OE2 2.87Å; R92-E137 IonicContact NH2-OE1 3.05Å; R92-E137 PolarHBondContact NH2-OE1 2.74Å |
| 93 | Q | 98.6 | Very high | 98.7 | Very high | 100 Ų | 100 | 33.5 Ų | 33.5 | 47% | 0.467 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.3 | -38.3 | -175.3 | -177.1 | 61.9 | 72.3 | 0 | 0 | 110.7 | D91 F95 E96 N97 | D91-Q93 VanDerWaalsContact C-N 3.33Å; D91-Q93 PolarHBondContact O-N 3.49Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.29Å; D91-Q93 PolarHBondContact OD1-N 3.48Å; Q93-F95 VanDerWaalsContact C-N 3.25Å; Q93-F95 PolarHBondContact O-N 2.81Å; Q93-E96 PolarHBondContact O-N 3.04Å; Q93-N97 PolarHBondContact NE2-ND2 2.95Å; Q93-N97 PolarHBondContact NE2-OD1 3.28Å; Q93-N97 WeakPolarHBondContact O-CB 3.36Å; Q93-N97 PolarHBondContact O-N 3.01Å; Q93-N97 PolarHBondContact O-ND2 3.05Å |
| 94 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.8 | -33.4 | 177.3 | 76.6 | 0 | 0 | 0 | 0 | 113.1 | S88 D91 R92 | S88-S94 PolarHBondContact N-OG 3.27Å; D91-S94 WeakPolarHBondContact CB-OG 3.41Å; D91-S94 PolarHBondContact O-N 3.34Å; D91-S94 PolarHBondContact O-OG 3.24Å; D91-S94 PolarHBondContact OD1-N 3Å; D91-S94 VanDerWaalsContact OD1-N 3.08Å; R92-S94 VanDerWaalsContact C-N 3.28Å; R92-S94 PolarHBondContact O-N 3Å |
| 95 | F | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.8 | -46.1 | 175.1 | 174.8 | -108.5 | 0 | 0 | 0 | 111.9 | F87 R92 Q93 N97 L98 V133 E137 A138 W141 | F87-F95 HydrophobicContact CB-CB 4.38Å; F87-F95 HydrophobicContact CD1-CD2 4.07Å; F87-F95 HydrophobicContact CD2-CB 3.73Å; F87-F95 AromaticContact CD2-CD2 4Å; F87-F95 HydrophobicContact CD2-CD2 4Å; F87-F95 HydrophobicContact CD2-CG 4.3Å; F87-F95 AromaticContact CE1-CD2 3.93Å; F87-F95 HydrophobicContact CE1-CD2 3.93Å; F87-F95 HydrophobicContact CE1-CE2 4.42Å; F87-F95 HydrophobicContact CE2-CB 4.21Å; F87-F95 AromaticContact CE2-CD2 3.89Å; F87-F95 HydrophobicContact CE2-CD2 3.89Å; F87-F95 HydrophobicContact CE2-CG 4.38Å; F87-F95 HydrophobicContact CG-CB 4.11Å; F87-F95 HydrophobicContact CG-CD2 4.1Å; F87-F95 AromaticContact CZ-CD2 3.85Å; F87-F95 HydrophobicContact CZ-CD2 3.85Å; F87-F95 HydrophobicContact CZ-CE2 4.38Å; R92-F95 WeakPolarHBondContact O-CB 3.29Å; R92-F95 PolarHBondContact O-N 3.43Å; Q93-F95 VanDerWaalsContact C-N 3.25Å; Q93-F95 PolarHBondContact O-N 2.81Å; F95-N97 PolarHBondContact O-N 3.35Å; F95-L98 HydrophobicContact CD2-CD1 3.53Å; F95-L98 HydrophobicContact CD2-CG 4.49Å; F95-L98 HydrophobicContact CE2-CD1 3.81Å; F95-L98 HydrophobicContact CG-CD1 4.46Å; F95-L98 WeakPolarHBondContact O-CB 3.24Å; F95-L98 WeakPolarHBondContact O-CG 3.1Å; F95-L98 PolarHBondContact O-N 2.99Å; F95-V133 HydrophobicContact CB-CG1 4.42Å; F95-V133 HydrophobicContact CB-CG2 3.71Å; F95-V133 HydrophobicContact CD1-CG1 4Å; F95-V133 HydrophobicContact CD1-CG2 4.21Å; F95-V133 HydrophobicContact CD2-CG1 3.98Å; F95-V133 HydrophobicContact CE1-CG1 4.23Å; F95-V133 HydrophobicContact CE2-CG1 4.23Å; F95-V133 HydrophobicContact CG-CG1 3.86Å; F95-V133 HydrophobicContact CG-CG2 3.99Å; F95-V133 HydrophobicContact CZ-CG1 4.33Å; F95-E137 HydrophobicContact CE1-CG 3.81Å; F95-E137 HydrophobicContact CZ-CG 4.01Å; F95-A138 HydrophobicContact CE2-CB 3.99Å; F95-W141 HydrophobicContact CE2-CB 4.11Å; F95-W141 HydrophobicContact CE2-CG 4.27Å; F95-W141 HydrophobicContact CZ-CB 3.69Å; F95-W141 HydrophobicContact CZ-CG 4.02Å |
| 96 | E | 98.6 | Very high | 98.6 | Very high | 96 Ų | 96 | 36.1 Ų | 36.1 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.6 | -26.7 | 177.2 | -68.5 | 176 | 177.6 | 0 | 0 | 112.4 | R92 Q93 L98 | R92-E96 IonicContact CZ-OE1 3.52Å; R92-E96 IonicContact NE-OE1 2.77Å; R92-E96 PolarHBondContact NE-OE1 3.17Å; R92-E96 IonicContact NH2-OE1 3.74Å; R92-E96 PolarHBondContact O-N 3.02Å; R92-E96 VanDerWaalsContact O-N 3.1Å; Q93-E96 PolarHBondContact O-N 3.04Å; E96-L98 VanDerWaalsContact C-N 3.33Å; E96-L98 PolarHBondContact O-N 2.87Å |
| 97 | N | 98.8 | Very high | 98.6 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.6 | 176.7 | -78.1 | -27.6 | 0 | 0 | 0 | 114.7 | D15 Q93 F95 S99 N100 W101 | D15-N97 PolarHBondContact OD1-ND2 3.46Å; D15-N97 PolarHBondContact OD2-ND2 2.97Å; Q93-N97 PolarHBondContact NE2-ND2 2.95Å; Q93-N97 PolarHBondContact NE2-OD1 3.28Å; Q93-N97 WeakPolarHBondContact O-CB 3.36Å; Q93-N97 PolarHBondContact O-N 3.01Å; Q93-N97 PolarHBondContact O-ND2 3.05Å; F95-N97 PolarHBondContact O-N 3.35Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 3.14Å; N97-N100 WeakPolarHBondContact O-CA 3.42Å; N97-N100 WeakPolarHBondContact O-CB 3.37Å; N97-N100 PolarHBondContact O-N 3.48Å; N97-N100 PolarHBondContact OD1-ND2 3.05Å; N97-W101 PolarHBondContact O-N 3.02Å |
| 98 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.9 | -44.8 | -178.7 | -73.1 | 175 | 0 | 0 | 0 | 112.7 | L85 F87 F95 E96 N100 W101 Q102 V121 W141 | L85-L98 HydrophobicContact CB-CD2 3.94Å; F87-L98 HydrophobicContact CB-CD2 4.2Å; F87-L98 HydrophobicContact CB-CG 4.43Å; F87-L98 HydrophobicContact CD1-CD1 3.82Å; F87-L98 HydrophobicContact CD1-CD2 4.26Å; F87-L98 HydrophobicContact CD1-CG 4.43Å; F87-L98 HydrophobicContact CE1-CD1 4.31Å; F87-L98 HydrophobicContact CG-CD1 4.41Å; F95-L98 HydrophobicContact CD2-CD1 3.53Å; F95-L98 HydrophobicContact CD2-CG 4.49Å; F95-L98 HydrophobicContact CE2-CD1 3.81Å; F95-L98 HydrophobicContact CG-CD1 4.46Å; F95-L98 WeakPolarHBondContact O-CB 3.24Å; F95-L98 WeakPolarHBondContact O-CG 3.1Å; F95-L98 PolarHBondContact O-N 2.99Å; E96-L98 VanDerWaalsContact C-N 3.33Å; E96-L98 PolarHBondContact O-N 2.87Å; L98-N100 PolarHBondContact O-N 2.98Å; L98-W101 PolarHBondContact O-N 2.87Å; L98-Q102 WeakPolarHBondContact O-CB 3.22Å; L98-Q102 PolarHBondContact O-N 3.21Å; L98-V121 HydrophobicContact CD1-CG1 4.07Å; L98-W141 HydrophobicContact CB-CH2 3.78Å; L98-W141 HydrophobicContact CB-CZ2 3.57Å; L98-W141 HydrophobicContact CB-CZ3 4.4Å; L98-W141 HydrophobicContact CD1-CD2 4.29Å; L98-W141 HydrophobicContact CD1-CE3 4.13Å; L98-W141 HydrophobicContact CD1-CH2 4.4Å; L98-W141 HydrophobicContact CD1-CZ3 4.21Å |
| 99 | S | 98.3 | Very high | 98.5 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.5 | -30.2 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | N97 K103 W141 | N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 3.14Å; S99-K103 WeakPolarHBondContact O-CB 3.48Å; S99-K103 WeakPolarHBondContact O-CD 3.39Å; S99-K103 WeakPolarHBondContact O-CG 3.49Å; S99-K103 PolarHBondContact O-N 3.43Å; S99-K103 VanDerWaalsContact O-N 3.11Å; S99-W141 WeakPolarHBondContact OG-CZ2 3.47Å; S99-W141 PolarHBondContact OG-NE1 2.96Å |
| 100 | N | 98.4 | Very high | 98.5 | Very high | 91 Ų | 91 | 53.7 Ų | 53.7 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.9 | -42.5 | 175.7 | -64.3 | -28.1 | 0 | 0 | 0 | 110.8 | N97 L98 K103 E104 | N97-N100 WeakPolarHBondContact O-CA 3.42Å; N97-N100 WeakPolarHBondContact O-CB 3.37Å; N97-N100 PolarHBondContact O-N 3.48Å; N97-N100 PolarHBondContact OD1-ND2 3.05Å; L98-N100 PolarHBondContact O-N 2.98Å; N100-K103 PolarHBondContact O-N 2.97Å; N100-E104 VanDerWaalsContact O-CB 3.29Å; N100-E104 WeakPolarHBondContact O-CB 3.45Å; N100-E104 PolarHBondContact O-N 2.69Å |
| 101 | W | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 53 Ų | 53 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.4 | -73.8 | 110.8 | 0 | 0 | 0 | 112.8 | L13 G14 D15 G65 R73 L85 N97 L98 E104 F105 | L13-W101 HydrophobicContact CB-CE3 4.01Å; L13-W101 HydrophobicContact CD1-CE3 4.48Å; L13-W101 HydrophobicContact CD2-CZ3 4.49Å; G14-W101 VanDerWaalsContact C-CZ2 3.4Å; G14-W101 VanDerWaalsContact O-CZ2 3.24Å; G14-W101 WeakPolarHBondContact O-CZ2 3.27Å; D15-W101 PolarHBondContact OD1-NE1 2.73Å; G65-W101 WeakPolarHBondContact O-CZ2 3.42Å; R73-W101 VanDerWaalsContact NE-CZ3 3.31Å; L85-W101 HydrophobicContact CD2-CB 3.86Å; N97-W101 PolarHBondContact O-N 3.02Å; L98-W101 PolarHBondContact O-N 2.87Å; W101-E104 PolarHBondContact O-N 3.21Å; W101-F105 WeakPolarHBondContact O-CB 3.34Å; W101-F105 PolarHBondContact O-N 2.92Å |
| 102 | Q | 98.5 | Very high | 98.1 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 175.6 | -173.8 | -165.4 | 28.5 | 0 | 0 | 111.3 | L85 L98 E104 F105 V106 F119 N145 Y148 | L85-Q102 HydrophobicContact CD1-CB 4.02Å; L85-Q102 HydrophobicContact CD1-CG 4.34Å; L98-Q102 WeakPolarHBondContact O-CB 3.22Å; L98-Q102 PolarHBondContact O-N 3.21Å; Q102-E104 VanDerWaalsContact C-N 3.34Å; Q102-E104 PolarHBondContact O-N 3.09Å; Q102-F105 PolarHBondContact O-N 3.23Å; Q102-V106 WeakPolarHBondContact O-CG2 3.47Å; Q102-V106 PolarHBondContact O-N 3.38Å; Q102-F119 HydrophobicContact CG-CE1 4.16Å; Q102-F119 HydrophobicContact CG-CE2 4.46Å; Q102-F119 HydrophobicContact CG-CZ 4.06Å; Q102-N145 PolarHBondContact NE2-O 3.01Å; Q102-Y148 PolarHBondContact NE2-OH 2.88Å |
| 103 | K | 98.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 59.9 Ų | 59.9 | 61% | 0.609 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.5 | -42.6 | 177.4 | -73.5 | 170.3 | -174.2 | 172.6 | 0 | 112.2 | S99 N100 Y107 | S99-K103 WeakPolarHBondContact O-CB 3.48Å; S99-K103 WeakPolarHBondContact O-CD 3.39Å; S99-K103 WeakPolarHBondContact O-CG 3.49Å; S99-K103 PolarHBondContact O-N 3.43Å; S99-K103 VanDerWaalsContact O-N 3.11Å; N100-K103 PolarHBondContact O-N 2.97Å; K103-Y107 WeakPolarHBondContact O-CB 3.28Å; K103-Y107 PolarHBondContact O-N 2.81Å; K103-Y107 VanDerWaalsContact O-N 3.09Å |
| 104 | E | 98.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 57.6 Ų | 57.6 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -46.6 | 176.3 | -172.4 | -178.1 | 108.6 | 0 | 0 | 111 | K70 R73 T74 Y77 N100 W101 Q102 Y107 Y108 | K70-E104 VanDerWaalsContact CD-OE2 3.32Å; K70-E104 WeakPolarHBondContact CD-OE2 3.49Å; K70-E104 WeakPolarHBondContact CE-OE2 3.37Å; K70-E104 IonicContact NZ-OE2 2.72Å; K70-E104 PolarHBondContact NZ-OE2 2.94Å; R73-E104 IonicContact CZ-OE1 3.81Å; R73-E104 VanDerWaalsContact CZ-OE1 3.3Å; R73-E104 IonicContact NE-OE1 3.3Å; R73-E104 PolarHBondContact NE-OE1 3.49Å; R73-E104 VanDerWaalsContact NH2-CD 3.33Å; R73-E104 IonicContact NH2-OE1 2.79Å; R73-E104 PolarHBondContact NH2-OE1 3.41Å; R73-E104 IonicContact NH2-OE2 3.92Å; R73-E104 PolarHBondContact NH2-OE2 3.26Å; T74-E104 HydrophobicContact CG2-CG 4.5Å; Y77-E104 HydrophobicContact CE2-CG 4.08Å; Y77-E104 PolarHBondContact OH-OE1 3.2Å; N100-E104 VanDerWaalsContact O-CB 3.29Å; N100-E104 WeakPolarHBondContact O-CB 3.45Å; N100-E104 PolarHBondContact O-N 2.69Å; W101-E104 PolarHBondContact O-N 3.21Å; Q102-E104 VanDerWaalsContact C-N 3.34Å; Q102-E104 PolarHBondContact O-N 3.09Å; E104-Y107 PolarHBondContact O-N 2.98Å; E104-Y108 HydrophobicContact CG-CD2 3.62Å; E104-Y108 HydrophobicContact CG-CE2 3.81Å; E104-Y108 VanDerWaalsContact O-CD2 3.29Å; E104-Y108 WeakPolarHBondContact O-CD2 3.32Å; E104-Y108 PolarHBondContact O-N 2.91Å |
| 105 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.7 | -55.1 | 177.5 | 177.8 | -98.5 | 0 | 0 | 0 | 111.4 | I11 L13 Y77 A80 C83 W101 Q102 Y107 Y108 A109 V111 F117 F119 | I11-F105 HydrophobicContact CG2-CD2 4.23Å; I11-F105 HydrophobicContact CG2-CE2 3.75Å; L13-F105 HydrophobicContact CD1-CB 3.64Å; L13-F105 HydrophobicContact CD1-CD2 3.81Å; L13-F105 HydrophobicContact CD1-CG 4.07Å; Y77-F105 HydrophobicContact CD2-CB 4.5Å; Y77-F105 AromaticContact CD2-CD2 3.99Å; Y77-F105 HydrophobicContact CD2-CD2 3.99Å; Y77-F105 HydrophobicContact CG-CD2 4.13Å; A80-F105 HydrophobicContact CB-CE2 3.94Å; A80-F105 HydrophobicContact CB-CZ 3.96Å; C83-F105 HydrophobicContact CB-CD1 4.21Å; C83-F105 HydrophobicContact CB-CD2 4.32Å; C83-F105 HydrophobicContact CB-CE1 4.08Å; C83-F105 HydrophobicContact CB-CE2 4.19Å; C83-F105 HydrophobicContact CB-CG 4.31Å; C83-F105 HydrophobicContact CB-CZ 4.07Å; W101-F105 WeakPolarHBondContact O-CB 3.34Å; W101-F105 PolarHBondContact O-N 2.92Å; Q102-F105 PolarHBondContact O-N 3.23Å; F105-Y107 PolarHBondContact O-N 3.39Å; F105-Y108 PolarHBondContact O-N 2.83Å; F105-A109 HydrophobicContact CD1-CB 4.4Å; F105-A109 HydrophobicContact CD2-CB 4.14Å; F105-A109 HydrophobicContact CE1-CB 4.03Å; F105-A109 HydrophobicContact CE2-CB 3.75Å; F105-A109 HydrophobicContact CG-CB 4.46Å; F105-A109 HydrophobicContact CZ-CB 3.69Å; F105-A109 WeakPolarHBondContact O-CB 3.41Å; F105-A109 PolarHBondContact O-N 3.05Å; F105-V111 HydrophobicContact CD1-CG2 4.26Å; F105-V111 HydrophobicContact CE1-CG2 3.71Å; F105-V111 HydrophobicContact CZ-CG2 4.4Å; F105-F117 HydrophobicContact CD1-CE1 4.24Å; F105-F117 AromaticContact CE1-CD1 3.68Å; F105-F117 HydrophobicContact CE1-CD1 3.68Å; F105-F117 HydrophobicContact CE1-CD2 4.36Å; F105-F117 AromaticContact CE1-CE1 3.21Å; F105-F117 HydrophobicContact CE1-CE1 3.21Å; F105-F117 AromaticContact CE1-CE2 3.95Å; F105-F117 HydrophobicContact CE1-CE2 3.95Å; F105-F117 HydrophobicContact CE1-CG 4.25Å; F105-F117 AromaticContact CE1-CZ 3.37Å; F105-F117 HydrophobicContact CE1-CZ 3.37Å; F105-F117 HydrophobicContact CZ-CD1 4.44Å; F105-F117 AromaticContact CZ-CE1 3.55Å; F105-F117 HydrophobicContact CZ-CE1 3.55Å; F105-F117 AromaticContact CZ-CE2 4Å; F105-F117 HydrophobicContact CZ-CE2 4Å; F105-F117 AromaticContact CZ-CZ 3.3Å; F105-F117 HydrophobicContact CZ-CZ 3.3Å; F105-F119 AromaticContact CD1-CE1 3.52Å; F105-F119 HydrophobicContact CD1-CE1 3.52Å; F105-F119 AromaticContact CD1-CZ 3.59Å; F105-F119 HydrophobicContact CD1-CZ 3.59Å; F105-F119 HydrophobicContact CE1-CE1 4.06Å; F105-F119 HydrophobicContact CE1-CZ 4.04Å; F105-F119 HydrophobicContact CG-CE1 4.24Å |
| 106 | V | 98.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 70.1 Ų | 70.1 | 21% | 0.212 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -52.9 | -44.5 | -179 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | Q102 D110 V111 P114 F119 | Q102-V106 WeakPolarHBondContact O-CG2 3.47Å; Q102-V106 PolarHBondContact O-N 3.38Å; V106-D110 PolarHBondContact O-N 2.87Å; V106-V111 HydrophobicContact CG1-CB 4.43Å; V106-V111 PolarHBondContact O-N 3.41Å; V106-P114 HydrophobicContact CG1-CB 3.95Å; V106-P114 HydrophobicContact CG1-CG 3.64Å; V106-P114 HydrophobicContact CG2-CB 4.06Å; V106-F119 HydrophobicContact CG2-CZ 3.93Å |
| 107 | Y | 98.3 | Very high | 96.8 | Very high | 172 Ų | 172 | 66.8 Ų | 66.8 | 68% | 0.675 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.6 | -52.1 | 180 | -179.6 | -97.2 | 0 | 0 | 0 | 113.1 | K103 E104 F105 D110 | K103-Y107 WeakPolarHBondContact O-CB 3.28Å; K103-Y107 PolarHBondContact O-N 2.81Å; K103-Y107 VanDerWaalsContact O-N 3.09Å; E104-Y107 PolarHBondContact O-N 2.98Å; F105-Y107 PolarHBondContact O-N 3.39Å; Y107-D110 PolarHBondContact O-N 3.45Å |
| 108 | Y | 98.3 | Very high | 96.8 | Very high | 94 Ų | 94 | 65.8 Ų | 65.8 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -83.1 | -23.7 | -173.6 | -72.9 | -74.2 | 0 | 0 | 0 | 113.9 | T74 E104 F105 | T74-Y108 HydrophobicContact CG2-CD1 4.11Å; T74-Y108 HydrophobicContact CG2-CD2 3.49Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.49Å; T74-Y108 HydrophobicContact CG2-CE1 4.33Å; T74-Y108 HydrophobicContact CG2-CE2 3.76Å; T74-Y108 HydrophobicContact CG2-CG 3.69Å; E104-Y108 HydrophobicContact CG-CD2 3.62Å; E104-Y108 HydrophobicContact CG-CE2 3.81Å; E104-Y108 VanDerWaalsContact O-CD2 3.29Å; E104-Y108 WeakPolarHBondContact O-CD2 3.32Å; E104-Y108 PolarHBondContact O-N 2.91Å; F105-Y108 PolarHBondContact O-N 2.83Å |
| 109 | A | 98.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 65.9 Ų | 65.9 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.1 | -14.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F105 V111 | F105-A109 HydrophobicContact CD1-CB 4.4Å; F105-A109 HydrophobicContact CD2-CB 4.14Å; F105-A109 HydrophobicContact CE1-CB 4.03Å; F105-A109 HydrophobicContact CE2-CB 3.75Å; F105-A109 HydrophobicContact CG-CB 4.46Å; F105-A109 HydrophobicContact CZ-CB 3.69Å; F105-A109 WeakPolarHBondContact O-CB 3.41Å; F105-A109 PolarHBondContact O-N 3.05Å; A109-V111 HydrophobicContact CB-CG2 3.75Å |
| 110 | D | 97.5 | Very high | 96.8 | Very high | 93 Ų | 93 | 64.7 Ų | 64.7 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 47.7 | -175.3 | -174.6 | 38.6 | 0 | 0 | 0 | 110.9 | R78 V106 Y107 K112 | R78-D110 IonicContact CZ-OD2 3.55Å; R78-D110 IonicContact NH1-OD2 3.53Å; R78-D110 PolarHBondContact NH1-OD2 2.85Å; R78-D110 IonicContact NH2-OD2 3.5Å; V106-D110 PolarHBondContact O-N 2.87Å; Y107-D110 PolarHBondContact O-N 3.45Å; D110-K112 PolarHBondContact O-N 2.9Å |
| 111 | V | 96.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 60.3 Ų | 60.3 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | trans | -70.6 | 115.5 | -179.1 | 180 | 0 | 0 | 0 | 0 | 109.1 | F105 V106 A109 P114 F117 | F105-V111 HydrophobicContact CD1-CG2 4.26Å; F105-V111 HydrophobicContact CE1-CG2 3.71Å; F105-V111 HydrophobicContact CZ-CG2 4.4Å; V106-V111 HydrophobicContact CG1-CB 4.43Å; V106-V111 PolarHBondContact O-N 3.41Å; A109-V111 HydrophobicContact CB-CG2 3.75Å; V111-P114 HydrophobicContact CG1-CB 4.45Å; V111-P114 HydrophobicContact CG1-CG 4.3Å; V111-F117 HydrophobicContact CG1-CB 3.72Å; V111-F117 HydrophobicContact CG1-CD2 3.76Å; V111-F117 HydrophobicContact CG1-CG 3.95Å; V111-F117 HydrophobicContact CG2-CD2 3.97Å; V111-F117 HydrophobicContact CG2-CE2 4.29Å; V111-F117 HydrophobicContact CG2-CG 4.34Å | ||
| 112 | K | 92.6 | Very high | 96.8 | Very high | 199 Ų | 199 | 59.7 Ų | 59.7 | 87% | 0.865 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -70.7 | -34.6 | -177.9 | -64.5 | -176.9 | -179.7 | 178.6 | 0 | 113.4 | D110 | D110-K112 PolarHBondContact O-N 2.9Š|
| 113 | D | 93.3 | Very high | 96.9 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | trans | -129.1 | 84.5 | -179.1 | -171.8 | -11.7 | 0 | 0 | 0 | 109.6 | E115 H116 F117 | D113-E115 PolarHBondContact O-N 3.46Å; D113-E115 PolarHBondContact OD1-N 2.97Å; D113-H116 PolarHBondContact O-N 3.12Å; D113-H116 IonicContact OD1-CG 3.78Å; D113-H116 PolarHBondContact OD1-N 3.33Å; D113-H116 IonicContact OD1-ND1 3.71Å; D113-H116 PolarHBondContact OD1-ND1 3.19Å; D113-H116 IonicContact OD2-CE1 3.82Å; D113-H116 IonicContact OD2-CG 2.73Å; D113-H116 IonicContact OD2-ND1 2.76Å; D113-H116 PolarHBondContact OD2-ND1 3.3Å; D113-F117 PolarHBondContact O-N 3.48Å | ||
| 114 | P | 92.8 | Very high | 96.9 | Very high | 52 Ų | 52 | 52 Ų | 52 | 34% | 0.338 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -66.9 | -24.4 | -177.3 | -22.4 | 35.2 | 0 | 0 | 0 | 113.8 | V106 V111 | V106-P114 HydrophobicContact CG1-CB 3.95Å; V106-P114 HydrophobicContact CG1-CG 3.64Å; V106-P114 HydrophobicContact CG2-CB 4.06Å; V111-P114 HydrophobicContact CG1-CB 4.45Å; V111-P114 HydrophobicContact CG1-CG 4.3Å |
| 115 | E | 90.9 | Very high | 96.9 | Very high | 166 Ų | 166 | 53.4 Ų | 53.4 | 78% | 0.776 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -71.8 | -32.5 | -178.8 | -66.9 | -176.5 | 176.5 | 0 | 0 | 111.6 | D113 | D113-E115 PolarHBondContact O-N 3.46Å; D113-E115 PolarHBondContact OD1-N 2.97Å |
| 116 | H | 92.5 | Very high | 96.9 | Very high | 105 Ų | 105 | 55.3 Ų | 55.3 | 49% | 0.486 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -103.2 | 2.1 | 179.4 | -58.3 | 92 | 0 | 0 | 0 | 113.9 | D113 | D113-H116 PolarHBondContact O-N 3.12Å; D113-H116 IonicContact OD1-CG 3.78Å; D113-H116 PolarHBondContact OD1-N 3.33Å; D113-H116 IonicContact OD1-ND1 3.71Å; D113-H116 PolarHBondContact OD1-ND1 3.19Å; D113-H116 IonicContact OD2-CE1 3.82Å; D113-H116 IonicContact OD2-CG 2.73Å; D113-H116 IonicContact OD2-ND1 2.76Å; D113-H116 PolarHBondContact OD2-ND1 3.3Å |
| 117 | F | 97.5 | Very high | 96.8 | Very high | 27 Ų | 27 | 55.7 Ų | 55.7 | 12% | 0.118 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -70.7 | 131.7 | 178.3 | -174.4 | -84.9 | 0 | 0 | 0 | 111.4 | A80 C83 F105 V111 D113 F119 | A80-F117 VanDerWaalsContact O-CE2 3.28Å; A80-F117 WeakPolarHBondContact O-CE2 3.45Å; A80-F117 WeakPolarHBondContact O-CZ 3.4Å; C83-F117 HydrophobicContact CB-CE1 3.88Å; F105-F117 HydrophobicContact CD1-CE1 4.24Å; F105-F117 AromaticContact CE1-CD1 3.68Å; F105-F117 HydrophobicContact CE1-CD1 3.68Å; F105-F117 HydrophobicContact CE1-CD2 4.36Å; F105-F117 AromaticContact CE1-CE1 3.21Å; F105-F117 HydrophobicContact CE1-CE1 3.21Å; F105-F117 AromaticContact CE1-CE2 3.95Å; F105-F117 HydrophobicContact CE1-CE2 3.95Å; F105-F117 HydrophobicContact CE1-CG 4.25Å; F105-F117 AromaticContact CE1-CZ 3.37Å; F105-F117 HydrophobicContact CE1-CZ 3.37Å; F105-F117 HydrophobicContact CZ-CD1 4.44Å; F105-F117 AromaticContact CZ-CE1 3.55Å; F105-F117 HydrophobicContact CZ-CE1 3.55Å; F105-F117 AromaticContact CZ-CE2 4Å; F105-F117 HydrophobicContact CZ-CE2 4Å; F105-F117 AromaticContact CZ-CZ 3.3Å; F105-F117 HydrophobicContact CZ-CZ 3.3Å; V111-F117 HydrophobicContact CG1-CB 3.72Å; V111-F117 HydrophobicContact CG1-CD2 3.76Å; V111-F117 HydrophobicContact CG1-CG 3.95Å; V111-F117 HydrophobicContact CG2-CD2 3.97Å; V111-F117 HydrophobicContact CG2-CE2 4.29Å; V111-F117 HydrophobicContact CG2-CG 4.34Å; D113-F117 PolarHBondContact O-N 3.48Å; F117-F119 HydrophobicContact CB-CD2 4.48Å; F117-F119 HydrophobicContact CB-CE2 3.96Å; F117-F119 HydrophobicContact CD1-CD1 4.38Å; F117-F119 AromaticContact CD1-CD2 3.85Å; F117-F119 HydrophobicContact CD1-CD2 3.85Å; F117-F119 HydrophobicContact CD1-CE1 4.09Å; F117-F119 AromaticContact CD1-CE2 3.53Å; F117-F119 HydrophobicContact CD1-CE2 3.53Å; F117-F119 HydrophobicContact CD1-CG 4.27Å; F117-F119 AromaticContact CD1-CZ 3.65Å; F117-F119 HydrophobicContact CD1-CZ 3.65Å; F117-F119 HydrophobicContact CE1-CE1 4.36Å; F117-F119 HydrophobicContact CE1-CZ 4.31Å; F117-F119 HydrophobicContact CG-CE2 4.15Å; F117-F119 HydrophobicContact CG-CZ 4.43Å; F117-F119 WeakPolarHBondContact O-CD2 3.27Å; F117-F119 PolarHBondContact O-N 3.43Å |
| 118 | P | 98.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 8% | 0.078 | 25% | 0.25 | C | S | . | . | trans | -64.5 | 104.8 | 179.3 | -25.3 | 35.9 | 0 | 0 | 0 | 114.1 | D81 C82 C83 Q171 V172 V175 | D81-P118 WeakPolarHBondContact O-CG 3.35Å; C82-P118 WeakPolarHBondContact CA-O 3.43Å; C82-P118 HydrophobicContact CB-CB 4.05Å; C82-P118 PolarHBondContact SG-O 2.83Å; C83-P118 PolarHBondContact N-O 3.16Å; P118-Q171 HydrophobicContact CB-CB 4.02Å; P118-V172 HydrophobicContact CB-CG2 4.27Å; P118-V172 HydrophobicContact CG-CG2 4.22Å; P118-V175 HydrophobicContact CG-CB 4.4Å; P118-V175 HydrophobicContact CG-CG2 3.88Å | ||
| 119 | F | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 141.1 | 165.4 | -64.5 | -85.4 | 0 | 0 | 0 | 110.9 | C83 L85 Q102 F105 V106 F117 Y148 P149 | C83-F119 HydrophobicContact CB-CD1 3.61Å; C83-F119 HydrophobicContact CB-CE1 3.72Å; C83-F119 WeakPolarHBondContact O-CA 3.35Å; L85-F119 HydrophobicContact CD1-CB 4.5Å; L85-F119 HydrophobicContact CD1-CD1 3.81Å; L85-F119 HydrophobicContact CD1-CE1 4.45Å; L85-F119 HydrophobicContact CD1-CG 4.41Å; L85-F119 HydrophobicContact CG-CD1 4.03Å; Q102-F119 HydrophobicContact CG-CE1 4.16Å; Q102-F119 HydrophobicContact CG-CE2 4.46Å; Q102-F119 HydrophobicContact CG-CZ 4.06Å; F105-F119 AromaticContact CD1-CE1 3.52Å; F105-F119 HydrophobicContact CD1-CE1 3.52Å; F105-F119 AromaticContact CD1-CZ 3.59Å; F105-F119 HydrophobicContact CD1-CZ 3.59Å; F105-F119 HydrophobicContact CE1-CE1 4.06Å; F105-F119 HydrophobicContact CE1-CZ 4.04Å; F105-F119 HydrophobicContact CG-CE1 4.24Å; V106-F119 HydrophobicContact CG2-CZ 3.93Å; F117-F119 HydrophobicContact CB-CD2 4.48Å; F117-F119 HydrophobicContact CB-CE2 3.96Å; F117-F119 HydrophobicContact CD1-CD1 4.38Å; F117-F119 AromaticContact CD1-CD2 3.85Å; F117-F119 HydrophobicContact CD1-CD2 3.85Å; F117-F119 HydrophobicContact CD1-CE1 4.09Å; F117-F119 AromaticContact CD1-CE2 3.53Å; F117-F119 HydrophobicContact CD1-CE2 3.53Å; F117-F119 HydrophobicContact CD1-CG 4.27Å; F117-F119 AromaticContact CD1-CZ 3.65Å; F117-F119 HydrophobicContact CD1-CZ 3.65Å; F117-F119 HydrophobicContact CE1-CE1 4.36Å; F117-F119 HydrophobicContact CE1-CZ 4.31Å; F117-F119 HydrophobicContact CG-CE2 4.15Å; F117-F119 HydrophobicContact CG-CZ 4.43Å; F117-F119 WeakPolarHBondContact O-CD2 3.27Å; F117-F119 PolarHBondContact O-N 3.43Å; F119-Y148 HydrophobicContact CB-CD1 3.74Å; F119-Y148 HydrophobicContact CB-CD2 4.35Å; F119-Y148 HydrophobicContact CB-CE1 3.79Å; F119-Y148 HydrophobicContact CB-CE2 4.36Å; F119-Y148 HydrophobicContact CB-CG 4.03Å; F119-Y148 AromaticContact CD2-CE1 3.79Å; F119-Y148 HydrophobicContact CD2-CE1 3.79Å; F119-Y148 AromaticContact CD2-CZ 3.8Å; F119-Y148 HydrophobicContact CG-CE1 4.21Å; F119-P149 WeakPolarHBondContact O-CD 3.18Å |
| 120 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.2 | 168.7 | 177 | 0 | 0 | 0 | 0 | 108.2 | C83 L84 L85 L122 P149 L151 E167 A168 Q171 | C83-V120 PolarHBondContact O-N 3.34Å; L84-V120 CarbonylContact C-O 3.56Å; L84-V120 WeakPolarHBondContact CA-O 3.41Å; L84-V120 HydrophobicContact CD2-CB 3.64Å; L84-V120 HydrophobicContact CD2-CG1 4.09Å; L84-V120 HydrophobicContact CD2-CG2 4.33Å; L85-V120 PolarHBondContact N-O 2.89Å; V120-L122 HydrophobicContact CG1-CD2 3.92Å; V120-P149 HydrophobicContact CG1-CB 4.38Å; V120-P149 HydrophobicContact CG2-CG 4.4Å; V120-L151 HydrophobicContact CG1-CD1 3.62Å; V120-E167 HydrophobicContact CG1-CG 4.36Å; V120-E167 HydrophobicContact CG2-CG 4.19Å; V120-A168 HydrophobicContact CG2-CB 4.47Å; V120-Q171 HydrophobicContact CG2-CG 4Å |
| 121 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.4 | -176.5 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | L85 F87 L98 W141 C142 Y148 P149 Y150 L151 | L85-V121 HydrophobicContact CB-CG2 4.48Å; L85-V121 CarbonylContact O-C 3.33Å; L85-V121 WeakPolarHBondContact O-CA 3.19Å; F87-V121 HydrophobicContact CD1-CG1 4.2Å; F87-V121 HydrophobicContact CE1-CG1 4Å; L98-V121 HydrophobicContact CD1-CG1 4.07Å; V121-W141 HydrophobicContact CG2-CE3 4.39Å; V121-W141 HydrophobicContact CG2-CZ3 3.78Å; V121-C142 VanDerWaalsContact CB-SG 3.6Å; V121-C142 VanDerWaalsContact CG2-SG 3.59Å; V121-Y148 HydrophobicContact CG2-CD2 4.25Å; V121-P149 PolarHBondContact N-O 3.09Å; V121-Y150 HydrophobicContact CB-CD2 4.15Å; V121-Y150 HydrophobicContact CG1-CD2 3.96Å; V121-Y150 HydrophobicContact CG1-CE2 4.44Å; V121-Y150 WeakPolarHBondContact O-CA 3.24Å; V121-Y150 WeakPolarHBondContact O-CD2 3.29Å; V121-L151 PolarHBondContact O-N 3.47Å |
| 122 | L | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116.5 | -178.3 | -52.3 | -175 | 0 | 0 | 0 | 110.6 | L23 L84 L85 T86 F87 V120 L151 T153 A164 | L23-L122 HydrophobicContact CD1-CD1 4.05Å; L84-L122 HydrophobicContact CB-CD1 4.15Å; L84-L122 HydrophobicContact CD1-CD1 4.18Å; L84-L122 HydrophobicContact CD2-CD1 4.42Å; L84-L122 HydrophobicContact CG-CD1 4.48Å; L85-L122 PolarHBondContact O-N 3.16Å; T86-L122 WeakPolarHBondContact CA-O 3.49Å; T86-L122 HydrophobicContact CG2-CB 4.24Å; F87-L122 VanDerWaalsContact CD1-O 3.28Å; F87-L122 WeakPolarHBondContact CD1-O 3.39Å; F87-L122 PolarHBondContact N-O 3.48Å; V120-L122 HydrophobicContact CG1-CD2 3.92Å; L122-L151 WeakPolarHBondContact CA-O 3.39Å; L122-L151 HydrophobicContact CD2-CB 4.1Å; L122-L151 HydrophobicContact CD2-CD1 4.27Å; L122-T153 HydrophobicContact CD2-CG2 4.4Å; L122-A164 HydrophobicContact CD1-CB 4.35Å; L122-A164 HydrophobicContact CD2-CB 3.6Å |
| 123 | G | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 93.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | F87 I126 L151 E152 T153 | F87-G123 VanDerWaalsContact CE1-CA 3.49Å; G123-I126 WeakPolarHBondContact O-CG2 3.28Å; G123-L151 PolarHBondContact N-O 3.44Å; G123-E152 CarbonylContact O-C 3.59Å; G123-E152 WeakPolarHBondContact O-CA 3.48Å; G123-T153 PolarHBondContact O-N 3.04Å |
| 124 | N | 98.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 166.9 | -174.6 | -170 | 31.7 | 0 | 0 | 0 | 112.6 | V18 L23 T86 F87 V89 T153 S154 A155 | V18-N124 PolarHBondContact O-ND2 2.85Å; L23-N124 HydrophobicContact CD1-CB 4.24Å; T86-N124 HydrophobicContact CG2-CB 4.26Å; F87-N124 PolarHBondContact O-N 3.36Å; V89-N124 WeakPolarHBondContact CG2-O 3.48Å; V89-N124 PolarHBondContact N-O 3Å; N124-T153 CarbonylContact C-O 3.58Å; N124-T153 VanDerWaalsContact CA-O 3.27Å; N124-T153 WeakPolarHBondContact CA-O 3.21Å; N124-T153 WeakPolarHBondContact CA-OG1 3.33Å; N124-T153 PolarHBondContact OD1-O 2.61Å; N124-T153 PolarHBondContact OD1-OG1 3.48Å; N124-S154 WeakPolarHBondContact OD1-CA 3.02Å; N124-A155 PolarHBondContact OD1-N 3.18Å |
| 125 | K | 98.4 | Very high | 97.1 | Very high | 50 Ų | 50 | 56 Ų | 56 | 22% | 0.217 | 27% | 0.272 | C | S | . | . | trans | 66.5 | 38.1 | 179.8 | -47.6 | -168.5 | -157.9 | 148.1 | 0 | 114 | G17 S88 V89 D90 D127 K128 T153 | G17-K125 WeakPolarHBondContact O-CE 3.44Å; G17-K125 PolarHBondContact O-NZ 3.4Å; S88-K125 WeakPolarHBondContact OG-CD 3.3Å; S88-K125 WeakPolarHBondContact OG-CE 3.26Å; S88-K125 WeakPolarHBondContact OG-CG 3.44Å; S88-K125 PolarHBondContact OG-NZ 2.74Å; V89-K125 WeakPolarHBondContact CG2-O 3.22Å; D90-K125 IonicContact OD1-NZ 2.81Å; K125-D127 PolarHBondContact O-N 3.15Å; K125-D127 VanDerWaalsContact O-N 3.08Å; K125-K128 HydrophobicContact CB-CG 4Å; K125-K128 VanDerWaalsContact O-CB 3.25Å; K125-K128 WeakPolarHBondContact O-CB 3.42Å; K125-K128 WeakPolarHBondContact O-CG 3.39Å; K125-K128 PolarHBondContact O-N 3.28Å; K125-T153 PolarHBondContact N-O 3.47Å | ||
| 126 | I | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.5 | 177.8 | 71.3 | 170.8 | 0 | 0 | 0 | 113.6 | V89 G123 K128 E152 T153 T159 | V89-I126 HydrophobicContact CG1-CG2 3.96Å; V89-I126 HydrophobicContact CG2-CG2 4.39Å; G123-I126 WeakPolarHBondContact O-CG2 3.28Å; I126-K128 PolarHBondContact O-N 2.92Å; I126-E152 HydrophobicContact CD1-CB 4.1Å; I126-E152 HydrophobicContact CG2-CB 3.63Å; I126-E152 HydrophobicContact CG2-CG 4.3Å; I126-T153 WeakPolarHBondContact CG2-O 3.48Å; I126-T153 PolarHBondContact N-O 2.96Å; I126-T153 VanDerWaalsContact N-O 3.15Å; I126-T159 HydrophobicContact CD1-CG2 3.63Å |
| 127 | D | 97.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 51.6 Ų | 51.6 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -10.6 | 169.3 | 67.2 | -82.9 | 0 | 0 | 0 | 113.4 | K125 S154 K156 | K125-D127 PolarHBondContact O-N 3.15Å; K125-D127 VanDerWaalsContact O-N 3.08Å; D127-S154 WeakPolarHBondContact OD1-CB 3.44Å; D127-S154 PolarHBondContact OD1-OG 3.29Å; D127-K156 HydrophobicContact CB-CD 4.4Å; D127-K156 WeakPolarHBondContact OD2-CD 3.19Å; D127-K156 IonicContact OD2-NZ 2.98Å; D127-K156 PolarHBondContact OD2-NZ 3.18Å |
| 128 | K | 94.9 | Very high | 97.8 | Very high | 96 Ų | 96 | 50.3 Ų | 50.3 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | trans | -82.2 | 127.8 | 174.3 | -66.3 | -73 | -167.8 | 163.7 | 0 | 110.7 | D90 K125 I126 | D90-K128 HydrophobicContact CB-CB 4.2Å; D90-K128 HydrophobicContact CB-CG 4.31Å; K125-K128 HydrophobicContact CB-CG 4Å; K125-K128 VanDerWaalsContact O-CB 3.25Å; K125-K128 WeakPolarHBondContact O-CB 3.42Å; K125-K128 WeakPolarHBondContact O-CG 3.39Å; K125-K128 PolarHBondContact O-N 3.28Å; I126-K128 PolarHBondContact O-N 2.92Å | ||
| 129 | L | 92.6 | Very high | 97.8 | Very high | 174 Ų | 174 | 54.7 Ų | 54.7 | 91% | 0.911 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -72.7 | -36.3 | 176.9 | -61.3 | 175.9 | 0 | 0 | 0 | 112.5 | R131 | L129-R131 PolarHBondContact O-N 3.24Å; L129-R131 VanDerWaalsContact O-N 3.12Å |
| 130 | E | 94.9 | Very high | 97.8 | Very high | 172 Ų | 172 | 57.5 Ų | 57.5 | 80% | 0.804 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -86.2 | 79.2 | -177.4 | -66.4 | 178.3 | -177.1 | 0 | 0 | 110.7 | ||
| 131 | R | 97.2 | Very high | 97.8 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | trans | -81.4 | 141.5 | 177.9 | -60.1 | -176.6 | 61.6 | 130.6 | -4.6 | 111.3 | V89 L129 V133 E152 | V89-R131 HydrophobicContact CB-CG 4.47Å; V89-R131 VanDerWaalsContact CG1-NH2 3.34Å; V89-R131 HydrophobicContact CG2-CG 4.08Å; V89-R131 CarbonylContact O-C 3.6Å; V89-R131 WeakPolarHBondContact O-CA 3.47Å; L129-R131 PolarHBondContact O-N 3.24Å; L129-R131 VanDerWaalsContact O-N 3.12Å; R131-V133 PolarHBondContact NE-O 3.28Å; R131-V133 PolarHBondContact NH2-O 2.78Å; R131-E152 IonicContact CZ-OE1 2.61Å; R131-E152 IonicContact CZ-OE2 3.73Å; R131-E152 IonicContact NH1-OE1 3.52Å; R131-E152 IonicContact NH1-OE2 3.88Å; R131-E152 PolarHBondContact NH1-OE2 3.41Å; R131-E152 IonicContact NH2-OE1 3.92Å; R131-E152 PolarHBondContact NH2-OE1 2.84Å; R131-E152 IonicContact NH2-OE2 2.71Å | ||
| 132 | Q | 98.4 | Very high | 97.8 | Very high | 109 Ų | 109 | 59 Ų | 59 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -108.6 | -11.7 | 173.2 | -58.9 | -175.9 | 15.8 | 0 | 0 | 112.8 | V89 D90 R92 | V89-Q132 PolarHBondContact O-N 2.96Å; D90-Q132 PolarHBondContact O-NE2 2.76Å; R92-Q132 HydrophobicContact CB-CB 4.14Å |
| 133 | V | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -128.8 | 125.3 | 178.4 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | F87 V89 F95 R131 A138 | F87-V133 HydrophobicContact CE2-CB 4Å; F87-V133 HydrophobicContact CE2-CG1 3.86Å; F87-V133 HydrophobicContact CE2-CG2 4.25Å; F87-V133 HydrophobicContact CZ-CG1 4.26Å; V89-V133 PolarHBondContact O-N 3.3Å; F95-V133 HydrophobicContact CB-CG1 4.42Å; F95-V133 HydrophobicContact CB-CG2 3.71Å; F95-V133 HydrophobicContact CD1-CG1 4Å; F95-V133 HydrophobicContact CD1-CG2 4.21Å; F95-V133 HydrophobicContact CD2-CG1 3.98Å; F95-V133 HydrophobicContact CE1-CG1 4.23Å; F95-V133 HydrophobicContact CE2-CG1 4.23Å; F95-V133 HydrophobicContact CG-CG1 3.86Å; F95-V133 HydrophobicContact CG-CG2 3.99Å; F95-V133 HydrophobicContact CZ-CG1 4.33Å; R131-V133 PolarHBondContact NE-O 3.28Å; R131-V133 PolarHBondContact NH2-O 2.78Å; V133-A138 HydrophobicContact CG1-CB 4.37Å |
| 134 | S | 98.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 71.6 Ų | 71.6 | 36% | 0.357 | 35% | 0.349 | S | S | . | . | trans | -80.8 | 158 | 177.2 | 91.5 | 0 | 0 | 0 | 0 | 111.3 | E136 E137 A138 | S134-E136 VanDerWaalsContact C-N 3.3Å; S134-E136 VanDerWaalsContact CB-OE2 3.3Å; S134-E136 WeakPolarHBondContact CB-OE2 3.22Å; S134-E136 PolarHBondContact O-N 2.96Å; S134-E136 PolarHBondContact OG-N 3.38Å; S134-E136 PolarHBondContact OG-OE2 3.05Å; S134-E137 PolarHBondContact O-N 3.05Å; S134-E137 PolarHBondContact OG-N 2.71Å; S134-A138 PolarHBondContact O-N 3.33Å | ||
| 135 | T | 98.2 | Very high | 97.6 | Very high | 42 Ų | 42 | 73.9 Ų | 73.9 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.5 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | E137 A138 Q139 Y150 E152 | T135-E137 PolarHBondContact O-N 2.9Å; T135-A138 PolarHBondContact O-N 3.47Å; T135-Q139 HydrophobicContact CG2-CG 4.46Å; T135-Q139 WeakPolarHBondContact O-CB 3.07Å; T135-Q139 VanDerWaalsContact O-CG 3.24Å; T135-Q139 WeakPolarHBondContact O-CG 3.28Å; T135-Q139 PolarHBondContact O-N 3.43Å; T135-Y150 HydrophobicContact CG2-CE1 4.11Å; T135-E152 WeakPolarHBondContact CB-OE1 3.49Å; T135-E152 PolarHBondContact OG1-OE1 3.43Å |
| 136 | E | 98.4 | Very high | 97.4 | Very high | 121 Ų | 121 | 73.5 Ų | 73.5 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.7 | -38.1 | -178.8 | -57.2 | 73.9 | -161.4 | 0 | 0 | 112 | S134 T140 | S134-E136 VanDerWaalsContact C-N 3.3Å; S134-E136 VanDerWaalsContact CB-OE2 3.3Å; S134-E136 WeakPolarHBondContact CB-OE2 3.22Å; S134-E136 PolarHBondContact O-N 2.96Å; S134-E136 PolarHBondContact OG-N 3.38Å; S134-E136 PolarHBondContact OG-OE2 3.05Å; E136-T140 WeakPolarHBondContact O-CB 3.44Å; E136-T140 PolarHBondContact O-N 2.94Å; E136-T140 PolarHBondContact O-OG1 2.86Å |
| 137 | E | 98.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 77.7 Ų | 77.7 | 27% | 0.271 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 176.8 | -178.8 | 175.6 | -158.4 | 0 | 0 | 110.9 | R92 F95 S134 T135 Q139 T140 W141 | R92-E137 IonicContact CZ-OE1 3.8Å; R92-E137 IonicContact CZ-OE2 2.76Å; R92-E137 IonicContact NH1-OE1 3.54Å; R92-E137 PolarHBondContact NH1-OE1 3.26Å; R92-E137 IonicContact NH1-OE2 2.83Å; R92-E137 PolarHBondContact NH1-OE2 2.87Å; R92-E137 IonicContact NH2-OE1 3.05Å; R92-E137 PolarHBondContact NH2-OE1 2.74Å; F95-E137 HydrophobicContact CE1-CG 3.81Å; F95-E137 HydrophobicContact CZ-CG 4.01Å; S134-E137 PolarHBondContact O-N 3.05Å; S134-E137 PolarHBondContact OG-N 2.71Å; T135-E137 PolarHBondContact O-N 2.9Å; E137-Q139 PolarHBondContact O-N 3.11Å; E137-T140 PolarHBondContact O-N 3.41Å; E137-W141 PolarHBondContact O-N 3.4Å |
| 138 | A | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F87 F95 V133 S134 T135 W141 C142 Y150 | F87-A138 HydrophobicContact CE1-CB 4.33Å; F87-A138 HydrophobicContact CZ-CB 3.84Å; F95-A138 HydrophobicContact CE2-CB 3.99Å; V133-A138 HydrophobicContact CG1-CB 4.37Å; S134-A138 PolarHBondContact O-N 3.33Å; T135-A138 PolarHBondContact O-N 3.47Å; A138-W141 PolarHBondContact O-N 2.9Å; A138-C142 PolarHBondContact O-N 3.47Å; A138-C142 PolarHBondContact O-SG 3.3Å; A138-Y150 HydrophobicContact CB-CD1 4.32Å; A138-Y150 HydrophobicContact CB-CD2 4.3Å; A138-Y150 HydrophobicContact CB-CE1 3.73Å; A138-Y150 HydrophobicContact CB-CE2 3.72Å |
| 139 | Q | 98.6 | Very high | 97.5 | Very high | 103 Ų | 103 | 73.5 Ų | 73.5 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 175 | -75.4 | 174.3 | -18.2 | 0 | 0 | 112.3 | T135 E137 W141 C142 M143 Y150 | T135-Q139 HydrophobicContact CG2-CG 4.46Å; T135-Q139 WeakPolarHBondContact O-CB 3.07Å; T135-Q139 VanDerWaalsContact O-CG 3.24Å; T135-Q139 WeakPolarHBondContact O-CG 3.28Å; T135-Q139 PolarHBondContact O-N 3.43Å; E137-Q139 PolarHBondContact O-N 3.11Å; Q139-W141 VanDerWaalsContact C-N 3.34Å; Q139-W141 PolarHBondContact O-N 3.46Å; Q139-C142 PolarHBondContact O-N 3.13Å; Q139-M143 PolarHBondContact O-N 3.19Å; Q139-Y150 HydrophobicContact CG-CD1 3.64Å; Q139-Y150 HydrophobicContact CG-CE1 4.24Å |
| 140 | T | 98.7 | Very high | 97.8 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 176 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | E136 E137 C142 M143 E144 | E136-T140 WeakPolarHBondContact O-CB 3.44Å; E136-T140 PolarHBondContact O-N 2.94Å; E136-T140 PolarHBondContact O-OG1 2.86Å; E137-T140 PolarHBondContact O-N 3.41Å; T140-C142 VanDerWaalsContact C-N 3.33Å; T140-C142 PolarHBondContact O-N 3.25Å; T140-M143 PolarHBondContact O-N 3.45Å; T140-E144 HydrophobicContact CG2-CG 4.4Å; T140-E144 WeakPolarHBondContact O-CG 3.48Å; T140-E144 PolarHBondContact O-N 2.82Å |
| 141 | W | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 59.9 Ų | 59.9 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 177 | -175.5 | 95.7 | 0 | 0 | 0 | 111.9 | L85 F95 L98 S99 V121 E137 A138 Q139 M143 E144 N145 Y148 | L85-W141 HydrophobicContact CD1-CH2 4.34Å; F95-W141 HydrophobicContact CE2-CB 4.11Å; F95-W141 HydrophobicContact CE2-CG 4.27Å; F95-W141 HydrophobicContact CZ-CB 3.69Å; F95-W141 HydrophobicContact CZ-CG 4.02Å; L98-W141 HydrophobicContact CB-CH2 3.78Å; L98-W141 HydrophobicContact CB-CZ2 3.57Å; L98-W141 HydrophobicContact CB-CZ3 4.4Å; L98-W141 HydrophobicContact CD1-CD2 4.29Å; L98-W141 HydrophobicContact CD1-CE3 4.13Å; L98-W141 HydrophobicContact CD1-CH2 4.4Å; L98-W141 HydrophobicContact CD1-CZ3 4.21Å; S99-W141 WeakPolarHBondContact OG-CZ2 3.47Å; S99-W141 PolarHBondContact OG-NE1 2.96Å; V121-W141 HydrophobicContact CG2-CE3 4.39Å; V121-W141 HydrophobicContact CG2-CZ3 3.78Å; E137-W141 PolarHBondContact O-N 3.4Å; A138-W141 PolarHBondContact O-N 2.9Å; Q139-W141 VanDerWaalsContact C-N 3.34Å; Q139-W141 PolarHBondContact O-N 3.46Å; W141-M143 VanDerWaalsContact C-N 3.34Å; W141-M143 PolarHBondContact O-N 3.27Å; W141-E144 PolarHBondContact O-N 3.01Å; W141-N145 HydrophobicContact CD2-CB 4.3Å; W141-N145 HydrophobicContact CE3-CB 4.36Å; W141-N145 HydrophobicContact CH2-CB 4.07Å; W141-N145 HydrophobicContact CZ2-CB 4.03Å; W141-N145 HydrophobicContact CZ3-CB 4.23Å; W141-N145 PolarHBondContact NE1-ND2 2.99Å; W141-N145 WeakPolarHBondContact O-CB 3.4Å; W141-N145 PolarHBondContact O-N 2.82Å; W141-N145 PolarHBondContact O-ND2 3.18Å; W141-Y148 HydrophobicContact CZ3-CD2 4.12Å |
| 142 | C | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 179.5 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | V121 A138 Q139 T140 N147 Y148 | V121-C142 VanDerWaalsContact CB-SG 3.6Å; V121-C142 VanDerWaalsContact CG2-SG 3.59Å; A138-C142 PolarHBondContact O-N 3.47Å; A138-C142 PolarHBondContact O-SG 3.3Å; Q139-C142 PolarHBondContact O-N 3.13Å; T140-C142 VanDerWaalsContact C-N 3.33Å; T140-C142 PolarHBondContact O-N 3.25Å; C142-N147 WeakPolarHBondContact O-CA 3.35Å; C142-N147 PolarHBondContact O-N 3.47Å; C142-Y148 WeakPolarHBondContact CB-O 3.39Å; C142-Y148 PolarHBondContact O-N 2.92Å; C142-Y148 VanDerWaalsContact O-N 3.09Å |
| 143 | M | 98.1 | Very high | 98 | Very high | 121 Ų | 121 | 52.5 Ų | 52.5 | 60% | 0.596 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 175.8 | -176.1 | 178.6 | 62.3 | 0 | 0 | 111.6 | Q139 T140 W141 N147 | Q139-M143 PolarHBondContact O-N 3.19Å; T140-M143 PolarHBondContact O-N 3.45Å; W141-M143 VanDerWaalsContact C-N 3.34Å; W141-M143 PolarHBondContact O-N 3.27Å; M143-N147 PolarHBondContact O-N 2.88Å |
| 144 | E | 97.6 | Very high | 98 | Very high | 144 Ų | 144 | 52.4 Ų | 52.4 | 67% | 0.673 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -74.4 | -26.1 | -175.5 | -69.8 | 178.6 | 165.8 | 0 | 0 | 114.1 | T140 W141 | T140-E144 HydrophobicContact CG2-CG 4.4Å; T140-E144 WeakPolarHBondContact O-CG 3.48Å; T140-E144 PolarHBondContact O-N 2.82Å; W141-E144 PolarHBondContact O-N 3.01Å |
| 145 | N | 95.9 | Very high | 98 | Very high | 51 Ų | 51 | 50.1 Ų | 50.1 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 7 | -171.6 | -71.2 | -94.6 | 0 | 0 | 0 | 114.5 | Q102 W141 Y148 | Q102-N145 PolarHBondContact NE2-O 3.01Å; W141-N145 HydrophobicContact CD2-CB 4.3Å; W141-N145 HydrophobicContact CE3-CB 4.36Å; W141-N145 HydrophobicContact CH2-CB 4.07Å; W141-N145 HydrophobicContact CZ2-CB 4.03Å; W141-N145 HydrophobicContact CZ3-CB 4.23Å; W141-N145 PolarHBondContact NE1-ND2 2.99Å; W141-N145 WeakPolarHBondContact O-CB 3.4Å; W141-N145 PolarHBondContact O-N 2.82Å; W141-N145 PolarHBondContact O-ND2 3.18Å; N145-Y148 HydrophobicContact CB-CE2 4.2Å; N145-Y148 WeakPolarHBondContact O-CE2 3.35Å; N145-Y148 PolarHBondContact O-OH 2.93Å |
| 146 | G | 93.9 | Very high | 98 | Very high | 41 Ų | 41 | 53.3 Ų | 53.3 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 143.1 | 12.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y148 | G146-Y148 PolarHBondContact O-N 2.82Š|
| 147 | N | 96.8 | Very high | 98 | Very high | 129 Ų | 129 | 51.6 Ų | 51.6 | 69% | 0.69 | 27% | 0.265 | S | S | * | . | trans | 56.1 | 46.1 | -178.8 | -166.8 | 49 | 0 | 0 | 0 | 113.3 | C142 M143 | C142-N147 WeakPolarHBondContact O-CA 3.35Å; C142-N147 PolarHBondContact O-N 3.47Å; M143-N147 PolarHBondContact O-N 2.88Å | ||
| 148 | Y | 97.9 | Very high | 98 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | trans | -76.2 | 144.5 | -175.2 | -54.7 | -45.8 | 0 | 0 | 0 | 112.8 | Q102 F119 V121 W141 C142 N145 G146 Y150 | Q102-Y148 PolarHBondContact NE2-OH 2.88Å; F119-Y148 HydrophobicContact CB-CD1 3.74Å; F119-Y148 HydrophobicContact CB-CD2 4.35Å; F119-Y148 HydrophobicContact CB-CE1 3.79Å; F119-Y148 HydrophobicContact CB-CE2 4.36Å; F119-Y148 HydrophobicContact CB-CG 4.03Å; F119-Y148 AromaticContact CD2-CE1 3.79Å; F119-Y148 HydrophobicContact CD2-CE1 3.79Å; F119-Y148 AromaticContact CD2-CZ 3.8Å; F119-Y148 HydrophobicContact CG-CE1 4.21Å; V121-Y148 HydrophobicContact CG2-CD2 4.25Å; W141-Y148 HydrophobicContact CZ3-CD2 4.12Å; C142-Y148 WeakPolarHBondContact CB-O 3.39Å; C142-Y148 PolarHBondContact O-N 2.92Å; C142-Y148 VanDerWaalsContact O-N 3.09Å; N145-Y148 HydrophobicContact CB-CE2 4.2Å; N145-Y148 WeakPolarHBondContact O-CE2 3.35Å; N145-Y148 PolarHBondContact O-OH 2.93Å; G146-Y148 PolarHBondContact O-N 2.82Å; Y148-Y150 PolarHBondContact O-N 3.46Å | ||
| 149 | P | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 54.6 Ų | 54.6 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | trans | -59.2 | 133.5 | 166.5 | -20.4 | 31.8 | 0 | 0 | 0 | 110.7 | F119 V120 V121 E167 Q171 | F119-P149 WeakPolarHBondContact O-CD 3.18Å; V120-P149 HydrophobicContact CG1-CB 4.38Å; V120-P149 HydrophobicContact CG2-CG 4.4Å; V121-P149 PolarHBondContact N-O 3.09Å; P149-E167 HydrophobicContact CB-CG 3.8Å; P149-E167 HydrophobicContact CG-CG 4.16Å; P149-Q171 HydrophobicContact CG-CG 3.94Å | ||
| 150 | Y | 98.8 | Very high | 98 | Very high | 39 Ų | 39 | 52.9 Ų | 52.9 | 15% | 0.153 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.5 | 176.8 | 174.8 | -121.4 | 0 | 0 | 0 | 110.5 | F87 V121 T135 A138 Q139 Y148 E152 | F87-Y150 AromaticContact CE1-CE2 3.7Å; F87-Y150 HydrophobicContact CE1-CE2 3.7Å; F87-Y150 AromaticContact CZ-CE2 3.87Å; F87-Y150 HydrophobicContact CZ-CE2 3.87Å; V121-Y150 HydrophobicContact CB-CD2 4.15Å; V121-Y150 HydrophobicContact CG1-CD2 3.96Å; V121-Y150 HydrophobicContact CG1-CE2 4.44Å; V121-Y150 WeakPolarHBondContact O-CA 3.24Å; V121-Y150 WeakPolarHBondContact O-CD2 3.29Å; T135-Y150 HydrophobicContact CG2-CE1 4.11Å; A138-Y150 HydrophobicContact CB-CD1 4.32Å; A138-Y150 HydrophobicContact CB-CD2 4.3Å; A138-Y150 HydrophobicContact CB-CE1 3.73Å; A138-Y150 HydrophobicContact CB-CE2 3.72Å; Q139-Y150 HydrophobicContact CG-CD1 3.64Å; Q139-Y150 HydrophobicContact CG-CE1 4.24Å; Y148-Y150 PolarHBondContact O-N 3.46Å; Y150-E152 HydrophobicContact CE1-CG 3.74Å; Y150-E152 WeakPolarHBondContact OH-CG 3.43Å; Y150-E152 PolarHBondContact OH-OE1 2.79Å |
| 151 | L | 98.8 | Very high | 98 | Very high | 21 Ų | 21 | 50 Ų | 50 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.7 | 174.5 | -63.1 | 100 | 0 | 0 | 0 | 111.7 | V120 V121 L122 G123 T153 V163 A164 E167 | V120-L151 HydrophobicContact CG1-CD1 3.62Å; V121-L151 PolarHBondContact O-N 3.47Å; L122-L151 WeakPolarHBondContact CA-O 3.39Å; L122-L151 HydrophobicContact CD2-CB 4.1Å; L122-L151 HydrophobicContact CD2-CD1 4.27Å; G123-L151 PolarHBondContact N-O 3.44Å; L151-T153 HydrophobicContact CB-CG2 4.25Å; L151-V163 HydrophobicContact CD2-CB 4.1Å; L151-V163 HydrophobicContact CD2-CG1 3.64Å; L151-A164 HydrophobicContact CD2-CB 4.36Å; L151-E167 HydrophobicContact CD1-CB 4.18Å; L151-E167 HydrophobicContact CD1-CG 4.07Å |
| 152 | E | 98.7 | Very high | 98 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.1 | 167.1 | -66.1 | -138.8 | 158.1 | 0 | 0 | 109.2 | G123 I126 R131 T135 Y150 N160 | G123-E152 CarbonylContact O-C 3.59Å; G123-E152 WeakPolarHBondContact O-CA 3.48Å; I126-E152 HydrophobicContact CD1-CB 4.1Å; I126-E152 HydrophobicContact CG2-CB 3.63Å; I126-E152 HydrophobicContact CG2-CG 4.3Å; R131-E152 IonicContact CZ-OE1 2.61Å; R131-E152 IonicContact CZ-OE2 3.73Å; R131-E152 IonicContact NH1-OE1 3.52Å; R131-E152 IonicContact NH1-OE2 3.88Å; R131-E152 PolarHBondContact NH1-OE2 3.41Å; R131-E152 IonicContact NH2-OE1 3.92Å; R131-E152 PolarHBondContact NH2-OE1 2.84Å; R131-E152 IonicContact NH2-OE2 2.71Å; T135-E152 WeakPolarHBondContact CB-OE1 3.49Å; T135-E152 PolarHBondContact OG1-OE1 3.43Å; Y150-E152 HydrophobicContact CE1-CG 3.74Å; Y150-E152 WeakPolarHBondContact OH-CG 3.43Å; Y150-E152 PolarHBondContact OH-OE1 2.79Å; E152-N160 VanDerWaalsContact O-CB 3.26Å; E152-N160 WeakPolarHBondContact O-CB 3.33Å; E152-N160 PolarHBondContact O-ND2 3.31Å |
| 153 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -127.5 | 156.1 | -173.6 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | L122 G123 N124 K125 I126 L151 T159 N160 A164 | L122-T153 HydrophobicContact CD2-CG2 4.4Å; G123-T153 PolarHBondContact O-N 3.04Å; N124-T153 CarbonylContact C-O 3.58Å; N124-T153 VanDerWaalsContact CA-O 3.27Å; N124-T153 WeakPolarHBondContact CA-O 3.21Å; N124-T153 WeakPolarHBondContact CA-OG1 3.33Å; N124-T153 PolarHBondContact OD1-O 2.61Å; N124-T153 PolarHBondContact OD1-OG1 3.48Å; K125-T153 PolarHBondContact N-O 3.47Å; I126-T153 WeakPolarHBondContact CG2-O 3.48Å; I126-T153 PolarHBondContact N-O 2.96Å; I126-T153 VanDerWaalsContact N-O 3.15Å; L151-T153 HydrophobicContact CB-CG2 4.25Å; T153-T159 CarbonylContact C-O 3.54Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.25Å; T153-N160 HydrophobicContact CG2-CB 4.09Å; T153-A164 HydrophobicContact CG2-CB 4.06Å | ||
| 154 | S | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -137.6 | 114.4 | 160.4 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | N124 D127 K156 D157 D158 T159 V161 | N124-S154 WeakPolarHBondContact OD1-CA 3.02Å; D127-S154 WeakPolarHBondContact OD1-CB 3.44Å; D127-S154 PolarHBondContact OD1-OG 3.29Å; S154-K156 PolarHBondContact O-N 3.01Å; S154-K156 WeakPolarHBondContact OG-CB 2.99Å; S154-K156 PolarHBondContact OG-N 3.29Å; S154-K156 VanDerWaalsContact OG-N 3.13Å; S154-D157 WeakPolarHBondContact CB-OD1 3.25Å; S154-D157 PolarHBondContact OG-N 2.92Å; S154-D157 PolarHBondContact OG-OD1 3.4Å; S154-D158 CarbonylContact O-C 3.54Å; S154-D158 VanDerWaalsContact O-CA 3.3Å; S154-D158 WeakPolarHBondContact O-CA 3.38Å; S154-D158 PolarHBondContact O-N 3.4Å; S154-T159 PolarHBondContact N-O 3.44Å; S154-T159 PolarHBondContact O-N 3.04Å; S154-V161 WeakPolarHBondContact O-CG2 3.21Å |
| 155 | A | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | L23 R26 F32 N124 | L23-A155 HydrophobicContact CD2-CB 3.98Å; L23-A155 HydrophobicContact CG-CB 4.15Å; R26-A155 HydrophobicContact CB-CB 4.3Å; R26-A155 PolarHBondContact NE-O 2.92Å; F32-A155 HydrophobicContact CD2-CB 4.25Å; F32-A155 WeakPolarHBondContact CD2-O 3.49Å; F32-A155 HydrophobicContact CE2-CB 4.42Å; N124-A155 PolarHBondContact OD1-N 3.18Å |
| 156 | K | 98 | Very high | 98.2 | Very high | 110 Ų | 110 | 41.2 Ų | 41.2 | 48% | 0.478 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -51.2 | -175.4 | -175.1 | -168.2 | -178 | -171.5 | 0 | 111.4 | R26 F32 D127 S154 | R26-K156 PolarHBondContact NH2-O 3.08Å; F32-K156 HydrophobicContact CD1-CB 4.49Å; F32-K156 HydrophobicContact CD1-CG 4.14Å; F32-K156 HydrophobicContact CD2-CB 4.28Å; F32-K156 HydrophobicContact CE1-CB 4.22Å; F32-K156 HydrophobicContact CE1-CG 3.82Å; F32-K156 HydrophobicContact CE2-CB 3.99Å; F32-K156 HydrophobicContact CE2-CG 4.49Å; F32-K156 HydrophobicContact CZ-CB 3.95Å; F32-K156 HydrophobicContact CZ-CG 4.01Å; D127-K156 HydrophobicContact CB-CD 4.4Å; D127-K156 WeakPolarHBondContact OD2-CD 3.19Å; D127-K156 IonicContact OD2-NZ 2.98Å; D127-K156 PolarHBondContact OD2-NZ 3.18Å; S154-K156 PolarHBondContact O-N 3.01Å; S154-K156 WeakPolarHBondContact OG-CB 2.99Å; S154-K156 PolarHBondContact OG-N 3.29Å; S154-K156 VanDerWaalsContact OG-N 3.13Å |
| 157 | D | 97.7 | Very high | 98.4 | Very high | 84 Ų | 84 | 41 Ų | 41 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 4.7 | -177.6 | 65.1 | 23.3 | 0 | 0 | 0 | 114.2 | S154 T159 | S154-D157 WeakPolarHBondContact CB-OD1 3.25Å; S154-D157 PolarHBondContact OG-N 2.92Å; S154-D157 PolarHBondContact OG-OD1 3.4Å; D157-T159 VanDerWaalsContact C-N 3.28Å; D157-T159 PolarHBondContact O-N 2.72Å; D157-T159 VanDerWaalsContact OD1-CB 3.25Å; D157-T159 WeakPolarHBondContact OD1-CB 3.48Å; D157-T159 PolarHBondContact OD1-N 3.28Å; D157-T159 PolarHBondContact OD1-OG1 2.87Å |
| 158 | D | 98.3 | Very high | 98.5 | Very high | 70 Ų | 70 | 34.8 Ų | 34.8 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 13.6 | 179.3 | -158.6 | 36.2 | 0 | 0 | 0 | 114.8 | R26 S154 N160 V161 | R26-D158 VanDerWaalsContact CD-OD1 3.24Å; R26-D158 WeakPolarHBondContact CD-OD1 3.41Å; R26-D158 HydrophobicContact CG-CB 4.41Å; R26-D158 VanDerWaalsContact CG-OD1 3.22Å; R26-D158 WeakPolarHBondContact CG-OD1 3.23Å; S154-D158 CarbonylContact O-C 3.54Å; S154-D158 VanDerWaalsContact O-CA 3.3Å; S154-D158 WeakPolarHBondContact O-CA 3.38Å; S154-D158 PolarHBondContact O-N 3.4Å; D158-N160 PolarHBondContact O-N 3.05Å; D158-V161 WeakPolarHBondContact OD1-CB 3.43Å |
| 159 | T | 98.8 | Very high | 98.5 | Very high | 51 Ų | 51 | 33.7 Ų | 33.7 | 31% | 0.313 | 18% | 0.178 | S | C | . | . | B | Isolated β-bridge | trans | -62.4 | 122.5 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | I126 T153 S154 D157 V161 | I126-T159 HydrophobicContact CD1-CG2 3.63Å; T153-T159 CarbonylContact C-O 3.54Å; T153-T159 VanDerWaalsContact CA-O 3.28Å; T153-T159 WeakPolarHBondContact CA-O 3.25Å; S154-T159 PolarHBondContact N-O 3.44Å; S154-T159 PolarHBondContact O-N 3.04Å; D157-T159 VanDerWaalsContact C-N 3.28Å; D157-T159 PolarHBondContact O-N 2.72Å; D157-T159 VanDerWaalsContact OD1-CB 3.25Å; D157-T159 WeakPolarHBondContact OD1-CB 3.48Å; D157-T159 PolarHBondContact OD1-N 3.28Å; D157-T159 PolarHBondContact OD1-OG1 2.87Å; T159-V161 PolarHBondContact O-N 3.43Å |
| 160 | N | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 35.6 Ų | 35.6 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 13.1 | 176.1 | -65.4 | -30.1 | 0 | 0 | 0 | 116.4 | E152 T153 D158 V163 A164 | E152-N160 VanDerWaalsContact O-CB 3.26Å; E152-N160 WeakPolarHBondContact O-CB 3.33Å; E152-N160 PolarHBondContact O-ND2 3.31Å; T153-N160 HydrophobicContact CG2-CB 4.09Å; D158-N160 PolarHBondContact O-N 3.05Å; N160-V163 PolarHBondContact O-N 2.94Å; N160-A164 WeakPolarHBondContact O-CB 3.4Å; N160-A164 PolarHBondContact O-N 2.5Å |
| 161 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.9 | -50.4 | -177.1 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L23 R26 Y27 S154 D158 T159 V163 A164 F165 | L23-V161 HydrophobicContact CD2-CG1 4.29Å; L23-V161 HydrophobicContact CD2-CG2 3.92Å; R26-V161 HydrophobicContact CB-CG1 4.36Å; R26-V161 HydrophobicContact CG-CB 4.22Å; R26-V161 HydrophobicContact CG-CG1 3.97Å; R26-V161 HydrophobicContact CG-CG2 3.94Å; Y27-V161 HydrophobicContact CD2-CG1 4.44Å; S154-V161 WeakPolarHBondContact O-CG2 3.21Å; D158-V161 WeakPolarHBondContact OD1-CB 3.43Å; T159-V161 PolarHBondContact O-N 3.43Å; V161-V163 VanDerWaalsContact C-N 3.34Å; V161-V163 PolarHBondContact O-N 2.86Å; V161-A164 PolarHBondContact O-N 2.59Å; V161-F165 HydrophobicContact CG1-CD2 4.3Å; V161-F165 HydrophobicContact CG1-CE2 4.09Å; V161-F165 VanDerWaalsContact O-CD2 3.28Å; V161-F165 WeakPolarHBondContact O-CD2 3.3Å; V161-F165 PolarHBondContact O-N 2.64Å |
| 162 | A | 98.3 | Very high | 98.3 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 30% | 0.298 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.9 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y27 A164 F165 E166 | Y27-A162 HydrophobicContact CD2-CB 4.31Å; Y27-A162 HydrophobicContact CE2-CB 3.98Å; A162-A164 VanDerWaalsContact C-N 3.27Å; A162-A164 PolarHBondContact O-N 2.96Å; A162-F165 PolarHBondContact O-N 3.08Å; A162-E166 WeakPolarHBondContact O-CG 3.27Å; A162-E166 PolarHBondContact O-N 3.15Å |
| 163 | V | 98.5 | Very high | 98.1 | Very high | 59 Ų | 59 | 34.6 Ų | 34.6 | 36% | 0.358 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 179.8 | -173 | 0 | 0 | 0 | 0 | 111.3 | L151 N160 V161 E166 E167 | L151-V163 HydrophobicContact CD2-CB 4.1Å; L151-V163 HydrophobicContact CD2-CG1 3.64Å; N160-V163 PolarHBondContact O-N 2.94Å; V161-V163 VanDerWaalsContact C-N 3.34Å; V161-V163 PolarHBondContact O-N 2.86Å; V163-E166 PolarHBondContact O-N 3.4Å; V163-E167 WeakPolarHBondContact O-CB 3.37Å; V163-E167 PolarHBondContact O-N 2.83Å |
| 164 | A | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L122 L151 T153 N160 V161 A162 E167 A168 | L122-A164 HydrophobicContact CD1-CB 4.35Å; L122-A164 HydrophobicContact CD2-CB 3.6Å; L151-A164 HydrophobicContact CD2-CB 4.36Å; T153-A164 HydrophobicContact CG2-CB 4.06Å; N160-A164 WeakPolarHBondContact O-CB 3.4Å; N160-A164 PolarHBondContact O-N 2.5Å; V161-A164 PolarHBondContact O-N 2.59Å; A162-A164 VanDerWaalsContact C-N 3.27Å; A162-A164 PolarHBondContact O-N 2.96Å; A164-E167 PolarHBondContact O-N 3.16Å; A164-A168 PolarHBondContact O-N 2.9Å; A164-A168 VanDerWaalsContact O-N 3.16Å |
| 165 | F | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.7 | -35.1 | 177.8 | -74.7 | -77.1 | 0 | 0 | 0 | 112.2 | L12 Y27 L58 I60 L84 V161 A162 A168 V169 | L12-F165 HydrophobicContact CD1-CE1 4.34Å; L12-F165 HydrophobicContact CD2-CZ 4.35Å; Y27-F165 HydrophobicContact CD1-CB 4.05Å; Y27-F165 HydrophobicContact CD1-CD1 4.11Å; Y27-F165 AromaticContact CD1-CD2 3.48Å; Y27-F165 HydrophobicContact CD1-CD2 3.48Å; Y27-F165 VanDerWaalsContact CD1-CD2 3.48Å; Y27-F165 HydrophobicContact CD1-CE1 4.48Å; Y27-F165 AromaticContact CD1-CE2 3.92Å; Y27-F165 HydrophobicContact CD1-CE2 3.92Å; Y27-F165 AromaticContact CD1-CG 3.6Å; Y27-F165 HydrophobicContact CD1-CG 3.6Å; Y27-F165 HydrophobicContact CD1-CZ 4.39Å; Y27-F165 HydrophobicContact CD2-CB 4.4Å; Y27-F165 AromaticContact CD2-CD2 3.75Å; Y27-F165 HydrophobicContact CD2-CD2 3.75Å; Y27-F165 HydrophobicContact CD2-CE2 4.46Å; Y27-F165 HydrophobicContact CD2-CG 4.34Å; Y27-F165 HydrophobicContact CE1-CB 3.54Å; Y27-F165 HydrophobicContact CE1-CD1 4.18Å; Y27-F165 AromaticContact CE1-CD2 3.92Å; Y27-F165 HydrophobicContact CE1-CD2 3.92Å; Y27-F165 AromaticContact CE1-CG 3.61Å; Y27-F165 HydrophobicContact CE1-CG 3.61Å; Y27-F165 HydrophobicContact CE2-CB 3.98Å; Y27-F165 HydrophobicContact CE2-CD2 4.2Å; Y27-F165 HydrophobicContact CE2-CG 4.38Å; Y27-F165 HydrophobicContact CG-CB 4.44Å; Y27-F165 AromaticContact CG-CD2 3.37Å; Y27-F165 HydrophobicContact CG-CD2 3.37Å; Y27-F165 AromaticContact CG-CE2 3.75Å; Y27-F165 HydrophobicContact CG-CE2 3.75Å; Y27-F165 AromaticContact CG-CG 3.97Å; Y27-F165 HydrophobicContact CG-CG 3.97Å; L58-F165 HydrophobicContact CD2-CB 4.33Å; L58-F165 HydrophobicContact CD2-CD1 4.3Å; I60-F165 HydrophobicContact CD1-CD1 3.99Å; I60-F165 HydrophobicContact CD1-CE1 3.9Å; I60-F165 HydrophobicContact CG1-CD1 4.4Å; I60-F165 HydrophobicContact CG1-CE1 4.24Å; I60-F165 HydrophobicContact CG2-CE1 3.64Å; I60-F165 HydrophobicContact CG2-CZ 4.22Å; L84-F165 HydrophobicContact CD1-CD1 3.84Å; L84-F165 HydrophobicContact CD1-CE1 3.5Å; L84-F165 HydrophobicContact CD1-CZ 4.13Å; V161-F165 HydrophobicContact CG1-CD2 4.3Å; V161-F165 HydrophobicContact CG1-CE2 4.09Å; V161-F165 VanDerWaalsContact O-CD2 3.28Å; V161-F165 WeakPolarHBondContact O-CD2 3.3Å; V161-F165 PolarHBondContact O-N 2.64Å; A162-F165 PolarHBondContact O-N 3.08Å; F165-A168 WeakPolarHBondContact O-CB 3.1Å; F165-A168 PolarHBondContact O-N 2.91Å; F165-V169 PolarHBondContact O-N 2.91Å |
| 166 | E | 98.3 | Very high | 97 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 31% | 0.313 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.5 | -37.5 | 172.6 | -69 | 170.7 | -161.4 | 0 | 0 | 112.1 | L49 V51 A162 V163 A168 V169 R170 | L49-E166 HydrophobicContact CD1-CG 4.34Å; V51-E166 HydrophobicContact CG2-CB 4.42Å; V51-E166 HydrophobicContact CG2-CG 4.17Å; A162-E166 WeakPolarHBondContact O-CG 3.27Å; A162-E166 PolarHBondContact O-N 3.15Å; V163-E166 PolarHBondContact O-N 3.4Å; E166-A168 VanDerWaalsContact C-N 3.33Å; E166-A168 PolarHBondContact O-N 2.72Å; E166-V169 WeakPolarHBondContact O-CB 3.42Å; E166-V169 PolarHBondContact O-N 3Å; E166-V169 VanDerWaalsContact O-N 3.15Å; E166-R170 WeakPolarHBondContact O-CG 3.49Å; E166-R170 PolarHBondContact O-N 2.99Å; E166-R170 IonicContact OE2-NH2 3.09Å |
| 167 | E | 98.6 | Very high | 96.5 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 173.1 | -176.1 | 64.2 | -139.2 | 0 | 0 | 111 | V120 P149 L151 V163 A164 V169 R170 Q171 | V120-E167 HydrophobicContact CG1-CG 4.36Å; V120-E167 HydrophobicContact CG2-CG 4.19Å; P149-E167 HydrophobicContact CB-CG 3.8Å; P149-E167 HydrophobicContact CG-CG 4.16Å; L151-E167 HydrophobicContact CD1-CB 4.18Å; L151-E167 HydrophobicContact CD1-CG 4.07Å; V163-E167 WeakPolarHBondContact O-CB 3.37Å; V163-E167 PolarHBondContact O-N 2.83Å; A164-E167 PolarHBondContact O-N 3.16Å; E167-V169 VanDerWaalsContact C-N 3.26Å; E167-V169 PolarHBondContact O-N 3.02Å; E167-R170 PolarHBondContact O-N 3.11Å; E167-R170 VanDerWaalsContact O-N 3.12Å; E167-R170 IonicContact OE2-CZ 2.99Å; E167-R170 IonicContact OE2-NH1 2.87Å; E167-R170 PolarHBondContact OE2-NH1 3.36Å; E167-Q171 HydrophobicContact CG-CG 4.43Å; E167-Q171 WeakPolarHBondContact O-CG 3.4Å; E167-Q171 PolarHBondContact O-N 3.02Å; E167-Q171 PolarHBondContact OE1-NE2 3.4Å |
| 168 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.5 | -41 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V10 C82 L84 V120 A164 F165 E166 Q171 V172 | V10-A168 HydrophobicContact CG1-CB 4.38Å; V10-A168 HydrophobicContact CG2-CB 4.48Å; C82-A168 HydrophobicContact CB-CB 4.39Å; L84-A168 HydrophobicContact CD2-CB 3.9Å; V120-A168 HydrophobicContact CG2-CB 4.47Å; A164-A168 PolarHBondContact O-N 2.9Å; A164-A168 VanDerWaalsContact O-N 3.16Å; F165-A168 WeakPolarHBondContact O-CB 3.1Å; F165-A168 PolarHBondContact O-N 2.91Å; E166-A168 VanDerWaalsContact C-N 3.33Å; E166-A168 PolarHBondContact O-N 2.72Å; A168-Q171 PolarHBondContact O-N 3.08Å; A168-V172 WeakPolarHBondContact O-CG2 3.36Å; A168-V172 PolarHBondContact O-N 3.3Å; A168-V172 VanDerWaalsContact O-N 3.17Å |
| 169 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -48.1 | 174.6 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | L8 L49 V51 V56 L58 F165 E166 E167 Q171 V172 L173 | L8-V169 HydrophobicContact CD1-CG1 4.16Å; L8-V169 HydrophobicContact CD1-CG2 4.45Å; L49-V169 HydrophobicContact CD1-CG2 4.22Å; V51-V169 HydrophobicContact CB-CB 4.37Å; V51-V169 HydrophobicContact CB-CG1 3.85Å; V51-V169 HydrophobicContact CG1-CB 4.37Å; V51-V169 HydrophobicContact CG1-CG1 4.15Å; V51-V169 HydrophobicContact CG2-CB 4.03Å; V51-V169 HydrophobicContact CG2-CG1 3.88Å; V51-V169 HydrophobicContact CG2-CG2 4.27Å; V56-V169 HydrophobicContact CG2-CG1 4.05Å; L58-V169 HydrophobicContact CD1-CG2 3.26Å; L58-V169 HydrophobicContact CD2-CG2 4.1Å; L58-V169 HydrophobicContact CG-CG2 4.31Å; F165-V169 PolarHBondContact O-N 2.91Å; E166-V169 WeakPolarHBondContact O-CB 3.42Å; E166-V169 PolarHBondContact O-N 3Å; E166-V169 VanDerWaalsContact O-N 3.15Å; E167-V169 VanDerWaalsContact C-N 3.26Å; E167-V169 PolarHBondContact O-N 3.02Å; V169-Q171 VanDerWaalsContact C-N 3.28Å; V169-Q171 PolarHBondContact O-N 3.34Å; V169-V172 PolarHBondContact O-N 3.34Å; V169-L173 HydrophobicContact CG1-CD1 3.77Å; V169-L173 HydrophobicContact CG1-CG 4.14Å; V169-L173 WeakPolarHBondContact O-CG 3.47Å; V169-L173 PolarHBondContact O-N 3.39Å |
| 170 | R | 97.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 25% | 0.253 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.1 | -40.9 | 179.8 | -69.3 | -174.5 | -127.9 | 106.5 | 6.2 | 111.7 | V51 D52 E166 E167 L173 A174 | V51-R170 HydrophobicContact CG1-CG 3.64Å; D52-R170 VanDerWaalsContact OD2-CD 3.32Å; D52-R170 WeakPolarHBondContact OD2-CD 3.47Å; D52-R170 WeakPolarHBondContact OD2-CG 3.49Å; D52-R170 IonicContact OD2-NE 2.87Å; E166-R170 WeakPolarHBondContact O-CG 3.49Å; E166-R170 PolarHBondContact O-N 2.99Å; E166-R170 IonicContact OE2-NH2 3.09Å; E167-R170 PolarHBondContact O-N 3.11Å; E167-R170 VanDerWaalsContact O-N 3.12Å; E167-R170 IonicContact OE2-CZ 2.99Å; E167-R170 IonicContact OE2-NH1 2.87Å; E167-R170 PolarHBondContact OE2-NH1 3.36Å; R170-L173 PolarHBondContact O-N 3.38Å; R170-A174 WeakPolarHBondContact O-CB 3.47Å; R170-A174 PolarHBondContact O-N 2.81Å |
| 171 | Q | 97.8 | Very high | 93.4 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 177.1 | -66.9 | -58.8 | -44.7 | 0 | 0 | 112.4 | P118 V120 P149 E167 A168 V169 A174 V175 | P118-Q171 HydrophobicContact CB-CB 4.02Å; V120-Q171 HydrophobicContact CG2-CG 4Å; P149-Q171 HydrophobicContact CG-CG 3.94Å; E167-Q171 HydrophobicContact CG-CG 4.43Å; E167-Q171 WeakPolarHBondContact O-CG 3.4Å; E167-Q171 PolarHBondContact O-N 3.02Å; E167-Q171 PolarHBondContact OE1-NE2 3.4Å; A168-Q171 PolarHBondContact O-N 3.08Å; V169-Q171 VanDerWaalsContact C-N 3.28Å; V169-Q171 PolarHBondContact O-N 3.34Å; Q171-A174 PolarHBondContact O-N 3.31Å; Q171-V175 PolarHBondContact O-N 3.01Å |
| 172 | V | 96.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.4 | -48 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | L8 D81 C82 P118 A168 V169 A174 V175 E176 | L8-V172 HydrophobicContact CD1-CB 4.03Å; L8-V172 HydrophobicContact CD1-CG1 3.98Å; L8-V172 HydrophobicContact CD1-CG2 4.43Å; L8-V172 HydrophobicContact CD2-CG1 3.72Å; L8-V172 HydrophobicContact CG-CG1 4.49Å; D81-V172 HydrophobicContact CB-CG1 4.05Å; D81-V172 HydrophobicContact CB-CG2 4.02Å; D81-V172 WeakPolarHBondContact O-CG2 3.47Å; C82-V172 HydrophobicContact CB-CG2 3.63Å; P118-V172 HydrophobicContact CB-CG2 4.27Å; P118-V172 HydrophobicContact CG-CG2 4.22Å; A168-V172 WeakPolarHBondContact O-CG2 3.36Å; A168-V172 PolarHBondContact O-N 3.3Å; A168-V172 VanDerWaalsContact O-N 3.17Å; V169-V172 PolarHBondContact O-N 3.34Å; V172-A174 VanDerWaalsContact C-N 3.29Å; V172-A174 PolarHBondContact O-N 3.44Å; V172-V175 PolarHBondContact O-N 3.1Å; V172-E176 PolarHBondContact O-N 3.18Å |
| 173 | L | 94.3 | Very high | 90.7 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 179.8 | -67.9 | 176.7 | 0 | 0 | 0 | 112 | L6 R54 V169 R170 V175 E176 E177 | L6-L173 HydrophobicContact CD2-CD2 3.62Å; R54-L173 HydrophobicContact CB-CD1 4.15Å; R54-L173 HydrophobicContact CG-CD1 4.14Å; V169-L173 HydrophobicContact CG1-CD1 3.77Å; V169-L173 HydrophobicContact CG1-CG 4.14Å; V169-L173 WeakPolarHBondContact O-CG 3.47Å; V169-L173 PolarHBondContact O-N 3.39Å; R170-L173 PolarHBondContact O-N 3.38Å; L173-V175 PolarHBondContact O-N 3.41Å; L173-E176 PolarHBondContact O-N 3.01Å; L173-E177 WeakPolarHBondContact O-CG 3.21Å; L173-E177 PolarHBondContact O-N 3.38Å |
| 174 | A | 93.7 | Very high | 89 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R170 Q171 V172 Q178 | R170-A174 WeakPolarHBondContact O-CB 3.47Å; R170-A174 PolarHBondContact O-N 2.81Å; Q171-A174 PolarHBondContact O-N 3.31Å; V172-A174 VanDerWaalsContact C-N 3.29Å; V172-A174 PolarHBondContact O-N 3.44Å; A174-Q178 VanDerWaalsContact O-CG 3.26Å; A174-Q178 WeakPolarHBondContact O-CG 3.41Å; A174-Q178 PolarHBondContact O-N 2.79Å; A174-Q178 VanDerWaalsContact O-N 3.14Å |
| 175 | V | 91.7 | Very high | 87 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68 | -41.7 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | P118 Q171 V172 L173 E177 Q178 L179 | P118-V175 HydrophobicContact CG-CB 4.4Å; P118-V175 HydrophobicContact CG-CG2 3.88Å; Q171-V175 PolarHBondContact O-N 3.01Å; V172-V175 PolarHBondContact O-N 3.1Å; L173-V175 PolarHBondContact O-N 3.41Å; V175-E177 PolarHBondContact O-N 2.77Å; V175-Q178 PolarHBondContact O-N 3.24Å; V175-L179 HydrophobicContact CG1-CD1 3.98Å; V175-L179 HydrophobicContact CG1-CG 4.44Å; V175-L179 WeakPolarHBondContact O-CG 3.24Å; V175-L179 PolarHBondContact O-N 2.72Å |
| 176 | E | 88.4 | Confident | 84.9 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 29% | 0.29 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.2 | -70.8 | -174.3 | 159.1 | 0 | 0 | 111.8 | V172 L173 Q178 L179 E180 | V172-E176 PolarHBondContact O-N 3.18Å; L173-E176 PolarHBondContact O-N 3.01Å; E176-Q178 VanDerWaalsContact C-N 3.34Å; E176-Q178 PolarHBondContact O-N 3.25Å; E176-L179 PolarHBondContact O-N 3.26Å; E176-E180 WeakPolarHBondContact O-CG 3.4Å; E176-E180 PolarHBondContact O-N 2.95Å |
| 177 | E | 87.8 | Confident | 82.6 | Confident | 100 Ų | 100 | 75.4 Ų | 75.4 | 47% | 0.467 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.7 | -36.8 | 179.4 | -74.5 | 178.4 | -174.3 | 0 | 0 | 113.1 | L173 V175 H181 | L173-E177 WeakPolarHBondContact O-CG 3.21Å; L173-E177 PolarHBondContact O-N 3.38Å; V175-E177 PolarHBondContact O-N 2.77Å; E177-H181 PolarHBondContact O-N 3.42Å; E177-H181 VanDerWaalsContact O-N 3.08Å; E177-H181 PolarHBondContact O-ND1 2.91Å |
| 178 | Q | 84.6 | Confident | 80.7 | Confident | 110 Ų | 110 | 80.6 Ų | 80.6 | 51% | 0.514 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.9 | -73.7 | 172.7 | 5.2 | 0 | 0 | 111.6 | A174 V175 E176 H181 C182 | A174-Q178 VanDerWaalsContact O-CG 3.26Å; A174-Q178 WeakPolarHBondContact O-CG 3.41Å; A174-Q178 PolarHBondContact O-N 2.79Å; A174-Q178 VanDerWaalsContact O-N 3.14Å; V175-Q178 PolarHBondContact O-N 3.24Å; E176-Q178 VanDerWaalsContact C-N 3.34Å; E176-Q178 PolarHBondContact O-N 3.25Å; Q178-H181 PolarHBondContact O-N 3.17Å; Q178-C182 PolarHBondContact O-N 3.25Å; Q178-C182 PolarHBondContact O-SG 3.37Å |
| 179 | L | 82.4 | Confident | 78.9 | Confident | 104 Ų | 104 | 87.2 Ų | 87.2 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 177 | -72.1 | 169.5 | 0 | 0 | 0 | 111.4 | V175 E176 H181 C182 M183 | V175-L179 HydrophobicContact CG1-CD1 3.98Å; V175-L179 HydrophobicContact CG1-CG 4.44Å; V175-L179 WeakPolarHBondContact O-CG 3.24Å; V175-L179 PolarHBondContact O-N 2.72Å; E176-L179 PolarHBondContact O-N 3.26Å; L179-H181 PolarHBondContact O-N 3.47Å; L179-C182 PolarHBondContact O-N 2.71Å; L179-M183 VanDerWaalsContact O-CG 3.3Å; L179-M183 WeakPolarHBondContact O-CG 3.3Å; L179-M183 PolarHBondContact O-N 2.99Å |
| 180 | E | 81.9 | Confident | 77.2 | Confident | 126 Ų | 126 | 95 Ų | 95 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.7 | -44 | 175.8 | -73.1 | -175.4 | 171.7 | 0 | 0 | 112.1 | E176 M183 L184 | E176-E180 WeakPolarHBondContact O-CG 3.4Å; E176-E180 PolarHBondContact O-N 2.95Å; E180-M183 PolarHBondContact O-N 3.18Å; E180-L184 WeakPolarHBondContact O-CG 3.38Å; E180-L184 PolarHBondContact O-N 3.37Å |
| 181 | H | 77.4 | Confident | 75.2 | Confident | 141 Ų | 141 | 100.3 Ų | 100.3 | 65% | 0.653 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -42.5 | 176.2 | -88.1 | 80.2 | 0 | 0 | 0 | 112.7 | E177 Q178 L179 M183 L184 G185 | E177-H181 PolarHBondContact O-N 3.42Å; E177-H181 VanDerWaalsContact O-N 3.08Å; E177-H181 PolarHBondContact O-ND1 2.91Å; Q178-H181 PolarHBondContact O-N 3.17Å; L179-H181 PolarHBondContact O-N 3.47Å; H181-M183 VanDerWaalsContact C-N 3.33Å; H181-M183 PolarHBondContact O-N 2.92Å; H181-L184 PolarHBondContact O-N 3.47Å; H181-G185 PolarHBondContact O-N 3.42Å; H181-G185 VanDerWaalsContact O-N 3.11Å |
| 182 | C | 72.4 | Confident | 73.2 | Confident | 82 Ų | 82 | 102.5 Ų | 102.5 | 55% | 0.554 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.7 | -41.5 | 175.6 | -76.5 | 0 | 0 | 0 | 0 | 111.8 | Q178 L179 L184 G185 H186 | Q178-C182 PolarHBondContact O-N 3.25Å; Q178-C182 PolarHBondContact O-SG 3.37Å; L179-C182 PolarHBondContact O-N 2.71Å; C182-L184 PolarHBondContact O-N 3.31Å; C182-G185 PolarHBondContact O-N 3.48Å; C182-H186 PolarHBondContact O-CD2 3.24Å |
| 183 | M | 69.2 | Low | 70.9 | Confident | 150 Ų | 150 | 107.1 Ų | 107.1 | 74% | 0.739 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.6 | -36 | 178.9 | -70.7 | -175.6 | 70.3 | 0 | 0 | 112.9 | L179 E180 H181 | L179-M183 VanDerWaalsContact O-CG 3.3Å; L179-M183 WeakPolarHBondContact O-CG 3.3Å; L179-M183 PolarHBondContact O-N 2.99Å; E180-M183 PolarHBondContact O-N 3.18Å; H181-M183 VanDerWaalsContact C-N 3.33Å; H181-M183 PolarHBondContact O-N 2.92Å |
| 184 | L | 62.3 | Low | 68.9 | Low | 126 Ų | 126 | 112.4 Ų | 112.4 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.9 | -28.1 | 177.7 | -70.9 | 168.4 | 0 | 0 | 0 | 113.1 | E180 H181 C182 H186 | E180-L184 WeakPolarHBondContact O-CG 3.38Å; E180-L184 PolarHBondContact O-N 3.37Å; H181-L184 PolarHBondContact O-N 3.47Å; C182-L184 PolarHBondContact O-N 3.31Å; L184-H186 VanDerWaalsContact C-N 3.29Å; L184-H186 PolarHBondContact O-N 3.48Å |
| 185 | G | 56.9 | Low | 66.9 | Low | 64 Ų | 64 | 120.4 Ų | 120.4 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.2 | -14.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H181 C182 | H181-G185 PolarHBondContact O-N 3.42Å; H181-G185 VanDerWaalsContact O-N 3.11Å; C182-G185 PolarHBondContact O-N 3.48Å |
| 186 | H | 54 | Low | 64.8 | Low | 156 Ų | 156 | 124.5 Ų | 124.5 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 16.1 | -176.1 | -79.3 | -63.2 | 0 | 0 | 0 | 114.9 | C182 L184 I188 | C182-H186 PolarHBondContact O-CD2 3.24Å; L184-H186 VanDerWaalsContact C-N 3.29Å; L184-H186 PolarHBondContact O-N 3.48Å; H186-I188 PolarHBondContact O-N 2.76Å |
| 187 | T | 50.2 | Low | 62.6 | Low | 115 Ų | 115 | 125.2 Ų | 125.2 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | trans | -68 | 102.3 | 170.6 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | D189 | T187-D189 PolarHBondContact O-N 2.76Š| ||
| 188 | I | 59.4 | Low | 61 | Low | 145 Ų | 145 | 126.2 Ų | 126.2 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | trans | -65.5 | 115 | 167.6 | -62.7 | 173.7 | 0 | 0 | 0 | 107.7 | H186 L190 | H186-I188 PolarHBondContact O-N 2.76Å; I188-L190 PolarHBondContact O-N 2.71Å | ||
| 189 | D | 60.3 | Low | 59.3 | Low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | -73.8 | 95.5 | 176 | -147.1 | -7 | 0 | 0 | 0 | 109.1 | T187 H191 | T187-D189 PolarHBondContact O-N 2.76Å; D189-H191 PolarHBondContact O-N 2.76Å | ||
| 190 | L | 61.2 | Low | 57.4 | Low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | 8.1 | -175.2 | -85.8 | 158.9 | 0 | 0 | 0 | 114.2 | I188 | I188-L190 PolarHBondContact O-N 2.71Š|
| 191 | H | 56.8 | Low | 55.6 | Low | 177 Ų | 177 | 131.2 Ų | 131.2 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 8.3 | -175.3 | -107.4 | -62.8 | 0 | 0 | 0 | 116.3 | D189 S193 | D189-H191 PolarHBondContact O-N 2.76Å; H191-S193 VanDerWaalsContact C-N 3.3Å; H191-S193 PolarHBondContact O-N 2.83Å |
| 192 | S | 55 | Low | 54.5 | Low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -78 | 78.3 | 172.3 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 193 | S | 48.4 | Very low | 53.5 | Low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | 52.7 | 94.1 | 146 | 59.4 | 0 | 0 | 0 | 0 | 119.7 | H191 K195 | H191-S193 VanDerWaalsContact C-N 3.3Å; H191-S193 PolarHBondContact O-N 2.83Å; S193-K195 PolarHBondContact O-N 3Å | ||
| 194 | S | 53 | Low | 52.7 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -66.5 | 100 | 144.2 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 195 | K | 51.4 | Low | 52.1 | Low | 203 Ų | 203 | 132.7 Ų | 132.7 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -150.1 | 77 | 155.1 | -78.6 | -164 | 178.4 | 172 | 0 | 111 | S193 G197 | S193-K195 PolarHBondContact O-N 3Å; K195-G197 PolarHBondContact O-N 2.87Å | ||
| 196 | S | 47.3 | Very low | 51.8 | Low | 121 Ų | 121 | 137 Ų | 137 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -87.7 | 89.7 | 154.5 | 57.2 | 0 | 0 | 0 | 0 | 108.1 | S198 | S196-S198 PolarHBondContact O-N 3.12Š| ||
| 197 | G | 43.4 | Very low | 51.7 | Low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 84% | 0.838 | S | S | * | * | trans | -68.5 | 112.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K195 | K195-G197 PolarHBondContact O-N 2.87Š| ||
| 198 | S | 54 | Low | 51.8 | Low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 85% | 0.848 | S | S | * | * | trans | -64.3 | 126.1 | 165.8 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | S196 | S196-S198 PolarHBondContact O-N 3.12Š| ||
| 199 | S | 47.8 | Very low | 51.2 | Low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 86% | 0.856 | S | S | * | * | trans | -122.2 | 117 | 158.8 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 200 | C | 43.5 | Very low | 50.4 | Low | 122 Ų | 122 | 136.5 Ų | 136.5 | 82% | 0.824 | 87% | 0.865 | S | S | * | * | trans | -131.2 | 140.8 | 172.1 | -133 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 201 | C | 43.2 | Very low | 49.4 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 100% | 1.358 | 87% | 0.866 | S | S | * | * | trans | 76.8 | 0 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 116.9 |
Retrieved 201 of 201 residues in 320.1 ms
(Link to these results)