| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.5 | Very low | 71.4 | Confident | 232 Ų | 232 | 90.2 Ų | 90.2 | 100% | 1.143 | 47% | 0.467 | S | S | * | . | 0 | 133.9 | 0 | -67.3 | -164.3 | 160.4 | 0 | 0 | 107.1 | E3 | M1-E3 PolarHBondContact O-N 3.46Å; M1-E3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | P | 38.6 | Very low | 73.6 | Confident | 129 Ų | 129 | 82.7 Ų | 82.7 | 84% | 0.838 | 43% | 0.428 | S | S | * | . | trans | -57.8 | 125 | 173 | 24 | -29.3 | 0 | 0 | 0 | 107.5 | Q4 | P2-Q4 PolarHBondContact O-N 3.25Š| ||
| 3 | E | 41 | Very low | 75.2 | Confident | 187 Ų | 187 | 76.5 Ų | 76.5 | 87% | 0.874 | 40% | 0.396 | S | S | * | . | trans | -53.7 | 115.6 | 178.4 | -163.6 | 172.2 | -168 | 0 | 0 | 107.5 | M1 S5 | M1-E3 PolarHBondContact O-N 3.46Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-S5 PolarHBondContact O-N 3.36Å | ||
| 4 | Q | 51.2 | Low | 76.7 | Confident | 184 Ų | 184 | 71 Ų | 71 | 86% | 0.86 | 37% | 0.368 | S | S | * | . | trans | -63 | 105.4 | -178.4 | -146.5 | 167.1 | 33.4 | 0 | 0 | 105.7 | P2 N6 | P2-Q4 PolarHBondContact O-N 3.25Å; Q4-N6 PolarHBondContact O-N 3.08Å; Q4-N6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | S | 63.8 | Low | 77.8 | Confident | 62 Ų | 62 | 66.9 Ų | 66.9 | 43% | 0.434 | 35% | 0.348 | S | S | . | . | trans | -59.2 | 129.6 | -169.8 | 84.2 | 0 | 0 | 0 | 0 | 108.7 | E3 D7 | E3-S5 PolarHBondContact O-N 3.36Å; S5-D7 WeakPolarHBondContact CB-OD2 3.37Å; S5-D7 PolarHBondContact O-N 3.14Å; S5-D7 WeakPolarHBondContact OG-CB 3.32Å; S5-D7 PolarHBondContact OG-OD2 3.36Å | ||
| 6 | N | 81.6 | Confident | 78.7 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | trans | -67.5 | 3 | 178.6 | -85 | -26.8 | 0 | 0 | 0 | 112.3 | Q4 C56 R174 | Q4-N6 PolarHBondContact O-N 3.08Å; Q4-N6 VanDerWaalsContact O-N 3.16Å; N6-C56 HydrophobicContact CB-CB 4Å; N6-C56 WeakPolarHBondContact O-CB 3.32Å; N6-R174 PolarHBondContact O-NH1 3.07Å; N6-R174 VanDerWaalsContact O-NH1 3.1Å | ||
| 7 | D | 91.4 | Very high | 79.5 | Confident | 33 Ų | 33 | 63 Ų | 63 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | trans | -50.6 | 143.7 | -177.6 | -62.7 | -29.7 | 0 | 0 | 0 | 112.6 | S5 T57 H59 R174 | S5-D7 WeakPolarHBondContact CB-OD2 3.37Å; S5-D7 PolarHBondContact O-N 3.14Å; S5-D7 WeakPolarHBondContact OG-CB 3.32Å; S5-D7 PolarHBondContact OG-OD2 3.36Å; D7-T57 WeakPolarHBondContact CA-O 3.41Å; D7-T57 WeakPolarHBondContact OD1-CB 3.4Å; D7-H59 IonicContact OD1-CD2 3.99Å; D7-H59 IonicContact OD1-CE1 3.67Å; D7-H59 IonicContact OD1-NE2 3.2Å; D7-H59 PolarHBondContact OD1-NE2 2.88Å; D7-H59 IonicContact OD2-CE1 2.93Å; D7-H59 IonicContact OD2-NE2 3.74Å; D7-H59 PolarHBondContact OD2-NE2 3.36Å; D7-R174 PolarHBondContact O-NH1 3.29Å | ||
| 8 | Y | 95.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116.9 | 170.9 | -162 | -98.5 | 0 | 0 | 0 | 108.8 | V10 T57 L58 H59 N81 A82 L168 D171 L176 | Y8-V10 HydrophobicContact CD1-CG2 4.1Å; Y8-V10 HydrophobicContact CE1-CG2 4.13Å; Y8-T57 PolarHBondContact N-O 2.75Å; Y8-L58 HydrophobicContact CD1-CD1 3.91Å; Y8-L58 CarbonylContact O-C 3.3Å; Y8-L58 WeakPolarHBondContact O-CA 3.35Å; Y8-H59 PolarHBondContact O-N 3.1Å; Y8-N81 HydrophobicContact CD1-CB 4.36Å; Y8-N81 HydrophobicContact CD2-CB 3.79Å; Y8-N81 HydrophobicContact CE1-CB 4.07Å; Y8-N81 HydrophobicContact CE2-CB 3.46Å; Y8-N81 VanDerWaalsContact CE2-CB 3.46Å; Y8-N81 HydrophobicContact CG-CB 4.23Å; Y8-A82 HydrophobicContact CE1-CB 3.88Å; Y8-L168 HydrophobicContact CD1-CD2 3.68Å; Y8-L168 HydrophobicContact CE1-CD2 3.73Å; Y8-D171 HydrophobicContact CE2-CB 4.32Å; Y8-D171 WeakPolarHBondContact CE2-OD2 3.31Å; Y8-D171 WeakPolarHBondContact OH-CB 3.32Å; Y8-D171 PolarHBondContact OH-OD2 2.9Å; Y8-L176 HydrophobicContact CD1-CD1 3.98Å; Y8-L176 HydrophobicContact CD2-CD1 3.48Å; Y8-L176 VanDerWaalsContact CD2-CD1 3.48Å; Y8-L176 HydrophobicContact CE1-CD1 3.88Å; Y8-L176 HydrophobicContact CE2-CD1 3.37Å; Y8-L176 HydrophobicContact CG-CD1 3.77Å |
| 9 | K | 95.9 | Very high | 81.2 | Confident | 70 Ų | 70 | 57 Ų | 57 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.9 | -170.4 | -63.6 | 174.3 | -176.1 | 173.1 | 0 | 110.4 | H59 K79 N81 A82 | K9-H59 WeakPolarHBondContact CA-O 3.49Å; K9-H59 HydrophobicContact CG-CB 4.24Å; K9-K79 HydrophobicContact CD-CB 4.49Å; K9-N81 PolarHBondContact N-OD1 2.78Å; K9-N81 WeakPolarHBondContact O-CA 3.42Å; K9-N81 PolarHBondContact O-N 2.92Å; K9-A82 PolarHBondContact O-N 3.42Å |
| 10 | V | 96.9 | Very high | 82 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.1 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 108.4 | Y8 I12 L58 H59 I60 T61 A82 I84 L167 | Y8-V10 HydrophobicContact CD1-CG2 4.1Å; Y8-V10 HydrophobicContact CE1-CG2 4.13Å; V10-I12 HydrophobicContact CG1-CG1 4.41Å; V10-L58 HydrophobicContact CB-CD1 4.4Å; V10-L58 HydrophobicContact CG2-CD1 3.57Å; V10-H59 PolarHBondContact N-O 2.98Å; V10-I60 CarbonylContact O-C 3.43Å; V10-I60 WeakPolarHBondContact O-CA 3.47Å; V10-T61 PolarHBondContact O-N 3.22Å; V10-A82 WeakPolarHBondContact CA-O 2.96Å; V10-A82 HydrophobicContact CG2-CB 4.18Å; V10-I84 HydrophobicContact CG1-CD1 3.93Å; V10-I84 HydrophobicContact CG1-CG1 3.92Å; V10-L167 HydrophobicContact CB-CD2 4.5Å; V10-L167 HydrophobicContact CG1-CD2 3.73Å; V10-L167 HydrophobicContact CG2-CD2 3.86Å |
| 11 | A | 95.2 | Very high | 82.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y13 A82 F83 I84 | A11-Y13 HydrophobicContact CB-CD2 4.33Å; A11-Y13 HydrophobicContact CB-CE2 3.63Å; A11-A82 PolarHBondContact N-O 2.73Å; A11-A82 VanDerWaalsContact N-O 3.17Å; A11-F83 HydrophobicContact CB-CD1 3.96Å; A11-F83 HydrophobicContact CB-CE1 3.99Å; A11-F83 WeakPolarHBondContact O-CA 3.25Å; A11-I84 PolarHBondContact O-N 2.83Å |
| 12 | I | 96.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.2 | 179.3 | -51.6 | -163.3 | 0 | 0 | 0 | 109.4 | V10 K20 I24 I60 T61 S63 I84 V86 F164 | V10-I12 HydrophobicContact CG1-CG1 4.41Å; I12-K20 HydrophobicContact CG2-CB 3.95Å; I12-K20 HydrophobicContact CG2-CD 4.15Å; I12-K20 HydrophobicContact CG2-CG 3.95Å; I12-I24 HydrophobicContact CD1-CD1 3.74Å; I12-I24 HydrophobicContact CD1-CG1 3.44Å; I12-I24 VanDerWaalsContact CD1-CG1 3.44Å; I12-I24 HydrophobicContact CG1-CD1 4.31Å; I12-I24 HydrophobicContact CG1-CG1 4.5Å; I12-I60 HydrophobicContact CD1-CG2 3.75Å; I12-I60 HydrophobicContact CG1-CG2 3.99Å; I12-T61 PolarHBondContact N-O 2.89Å; I12-T61 VanDerWaalsContact N-O 3.07Å; I12-S63 VanDerWaalsContact O-CB 3.29Å; I12-S63 WeakPolarHBondContact O-CB 3.27Å; I12-S63 PolarHBondContact O-OG 3.16Å; I12-I84 CarbonylContact C-O 3.58Å; I12-I84 WeakPolarHBondContact CA-O 3.33Å; I12-I84 HydrophobicContact CB-CB 4.43Å; I12-I84 HydrophobicContact CD1-CB 4.44Å; I12-I84 HydrophobicContact CD1-CD1 3.87Å; I12-I84 HydrophobicContact CG1-CB 4.06Å; I12-I84 HydrophobicContact CG1-CD1 4.13Å; I12-I84 HydrophobicContact CG1-CG1 4.39Å; I12-I84 HydrophobicContact CG2-CB 4.19Å; I12-I84 HydrophobicContact CG2-CG2 4.31Å; I12-V86 HydrophobicContact CG2-CG2 3.62Å; I12-F164 HydrophobicContact CD1-CZ 4.25Å |
| 13 | Y | 95.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 161.3 | -178.3 | -68.3 | -70.8 | 0 | 0 | 0 | 111.9 | A11 S63 Q73 S76 V77 F83 I84 L85 V86 I101 I105 | A11-Y13 HydrophobicContact CB-CD2 4.33Å; A11-Y13 HydrophobicContact CB-CE2 3.63Å; Y13-S63 WeakPolarHBondContact CD1-OG 3.39Å; Y13-Q73 HydrophobicContact CE1-CG 3.97Å; Y13-S76 WeakPolarHBondContact OH-CB 3.34Å; Y13-S76 PolarHBondContact OH-OG 2.94Å; Y13-V77 HydrophobicContact CE2-CG2 4.01Å; Y13-F83 HydrophobicContact CD2-CD1 4.1Å; Y13-F83 AromaticContact CE2-CD1 3.76Å; Y13-F83 HydrophobicContact CE2-CD1 3.76Å; Y13-F83 HydrophobicContact CE2-CE1 4.02Å; Y13-I84 PolarHBondContact N-O 2.89Å; Y13-L85 HydrophobicContact CD2-CD2 4.45Å; Y13-V86 PolarHBondContact O-N 2.86Å; Y13-I101 HydrophobicContact CD2-CG2 4.43Å; Y13-I101 HydrophobicContact CG-CG2 4.08Å; Y13-I105 HydrophobicContact CD2-CD1 4.44Å |
| 14 | G | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | 145.8 | 164.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K20 G65 V86 | G14-K20 PolarHBondContact O-NZ 3.46Å; G14-G65 WeakPolarHBondContact O-CA 3.31Å; G14-V86 VanDerWaalsContact CA-O 3.31Å; G14-V86 WeakPolarHBondContact CA-O 3.41Å | ||
| 15 | A | 93.7 | Very high | 93.2 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | trans | -57.1 | 166.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V18 K20 E97 | A15-V18 HydrophobicContact CB-CG1 3.82Å; A15-V18 VanDerWaalsContact O-CG2 3.28Å; A15-V18 WeakPolarHBondContact O-CG2 3.39Å; A15-K20 PolarHBondContact O-NZ 3.35Å; A15-E97 WeakPolarHBondContact CB-OE2 3.37Å | ||
| 16 | G | 91.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 21.4 Ų | 21.4 | 41% | 0.412 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 144.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V18 | G16-V18 PolarHBondContact O-N 2.85Å; G16-V18 VanDerWaalsContact O-N 3.13Å |
| 17 | G | 92.5 | Very high | 95.5 | Very high | 28 Ų | 28 | 18.7 Ų | 18.7 | 29% | 0.289 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -1.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | G19 Y36 K124 | G17-G19 PolarHBondContact O-N 3.08Å; G17-Y36 PolarHBondContact N-OH 3.34Å; G17-K124 WeakPolarHBondContact O-CE 3.27Å; G17-K124 PolarHBondContact O-NZ 3.26Å |
| 18 | V | 95.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -71.6 | -15.2 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 113.9 | A15 G16 K20 V86 A88 N123 | A15-V18 HydrophobicContact CB-CG1 3.82Å; A15-V18 VanDerWaalsContact O-CG2 3.28Å; A15-V18 WeakPolarHBondContact O-CG2 3.39Å; G16-V18 PolarHBondContact O-N 2.85Å; G16-V18 VanDerWaalsContact O-N 3.13Å; V18-K20 HydrophobicContact CG2-CD 4.44Å; V18-K20 HydrophobicContact CG2-CG 3.7Å; V18-V86 HydrophobicContact CB-CG1 4.22Å; V18-V86 HydrophobicContact CG2-CB 3.93Å; V18-V86 HydrophobicContact CG2-CG1 3.79Å; V18-A88 HydrophobicContact CB-CB 4.38Å; V18-A88 HydrophobicContact CG1-CB 4.38Å; V18-N123 PolarHBondContact O-ND2 3.02Å |
| 19 | G | 96.2 | Very high | 95.5 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 11% | 0.113 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 101.4 | 24 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G17 S22 I23 | G17-G19 PolarHBondContact O-N 3.08Å; G19-S22 WeakPolarHBondContact O-CB 3.45Å; G19-S22 PolarHBondContact O-N 2.97Å; G19-I23 WeakPolarHBondContact O-CG1 3.41Å; G19-I23 PolarHBondContact O-N 3.05Å |
| 20 | K | 96.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -51.5 | -58.5 | 175.9 | -57.2 | -173.7 | -63 | -76.8 | 0 | 112.2 | I12 G14 A15 V18 S22 I23 I24 S63 V86 | I12-K20 HydrophobicContact CG2-CB 3.95Å; I12-K20 HydrophobicContact CG2-CD 4.15Å; I12-K20 HydrophobicContact CG2-CG 3.95Å; G14-K20 PolarHBondContact O-NZ 3.46Å; A15-K20 PolarHBondContact O-NZ 3.35Å; V18-K20 HydrophobicContact CG2-CD 4.44Å; V18-K20 HydrophobicContact CG2-CG 3.7Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.34Å; K20-I23 PolarHBondContact O-N 3.29Å; K20-I24 WeakPolarHBondContact O-CG1 3.5Å; K20-I24 PolarHBondContact O-N 2.78Å; K20-I24 VanDerWaalsContact O-N 3.11Å; K20-S63 WeakPolarHBondContact CE-O 3.4Å; K20-V86 HydrophobicContact CG-CB 4.3Å; K20-V86 HydrophobicContact CG-CG2 4.35Å |
| 21 | S | 95.4 | Very high | 95.3 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 19% | 0.189 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59 | -38.1 | 177 | -49.8 | 0 | 0 | 0 | 0 | 112.6 | I24 M25 T39 D62 | S21-I24 PolarHBondContact O-N 2.98Å; S21-M25 VanDerWaalsContact O-CB 3.28Å; S21-M25 WeakPolarHBondContact O-CB 3.42Å; S21-M25 VanDerWaalsContact O-CG 3.22Å; S21-M25 WeakPolarHBondContact O-CG 3.39Å; S21-M25 PolarHBondContact O-N 2.85Å; S21-T39 WeakPolarHBondContact OG-CG2 3.34Å; S21-T39 PolarHBondContact OG-OG1 3.5Å; S21-D62 VanDerWaalsContact CA-OD2 3.27Å; S21-D62 WeakPolarHBondContact CA-OD2 3.27Å; S21-D62 WeakPolarHBondContact CB-OD2 3.45Å; S21-D62 VanDerWaalsContact OG-CG 3.27Å; S21-D62 PolarHBondContact OG-OD1 2.93Å; S21-D62 PolarHBondContact OG-OD2 2.88Å |
| 22 | S | 96.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 29 Ų | 29 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 178 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | G19 K20 R26 | G19-S22 WeakPolarHBondContact O-CB 3.45Å; G19-S22 PolarHBondContact O-N 2.97Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.34Å; S22-R26 WeakPolarHBondContact O-CB 3.19Å; S22-R26 PolarHBondContact O-N 2.83Å |
| 23 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | 174.4 | -70.2 | 165.8 | 0 | 0 | 0 | 109.8 | G19 K20 R26 F27 V86 V121 N123 A154 I160 L163 F164 | G19-I23 WeakPolarHBondContact O-CG1 3.41Å; G19-I23 PolarHBondContact O-N 3.05Å; K20-I23 PolarHBondContact O-N 3.29Å; I23-R26 PolarHBondContact O-N 3.42Å; I23-F27 WeakPolarHBondContact O-CB 3.39Å; I23-F27 PolarHBondContact O-N 2.97Å; I23-V86 HydrophobicContact CD1-CG1 3.81Å; I23-V86 HydrophobicContact CD1-CG2 4.09Å; I23-V121 HydrophobicContact CD1-CG1 4.25Å; I23-N123 HydrophobicContact CD1-CB 4.13Å; I23-A154 HydrophobicContact CG1-CB 4.09Å; I23-I160 HydrophobicContact CB-CD1 4.48Å; I23-I160 HydrophobicContact CG1-CD1 4.15Å; I23-I160 HydrophobicContact CG2-CD1 4.27Å; I23-L163 HydrophobicContact CG2-CD2 3.87Å; I23-F164 HydrophobicContact CG2-CE2 4Å; I23-F164 HydrophobicContact CG2-CZ 4.3Å |
| 24 | I | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -48.4 | -178.8 | -60.2 | 167.8 | 0 | 0 | 0 | 111 | I12 K20 S21 R26 F27 V28 Y44 I60 D62 | I12-I24 HydrophobicContact CD1-CD1 3.74Å; I12-I24 HydrophobicContact CD1-CG1 3.44Å; I12-I24 VanDerWaalsContact CD1-CG1 3.44Å; I12-I24 HydrophobicContact CG1-CD1 4.31Å; I12-I24 HydrophobicContact CG1-CG1 4.5Å; K20-I24 WeakPolarHBondContact O-CG1 3.5Å; K20-I24 PolarHBondContact O-N 2.78Å; K20-I24 VanDerWaalsContact O-N 3.11Å; S21-I24 PolarHBondContact O-N 2.98Å; I24-R26 VanDerWaalsContact C-N 3.3Å; I24-R26 PolarHBondContact O-N 3.32Å; I24-F27 PolarHBondContact O-N 2.92Å; I24-V28 HydrophobicContact CG2-CG2 3.99Å; I24-V28 WeakPolarHBondContact O-CB 2.93Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 2.77Å; I24-Y44 HydrophobicContact CG2-CD1 4.11Å; I24-Y44 HydrophobicContact CG2-CD2 3.36Å; I24-Y44 HydrophobicContact CG2-CE1 4.44Å; I24-Y44 HydrophobicContact CG2-CE2 3.77Å; I24-Y44 HydrophobicContact CG2-CG 3.56Å; I24-I60 HydrophobicContact CD1-CG2 3.98Å; I24-I60 HydrophobicContact CG1-CG2 3.9Å; I24-I60 HydrophobicContact CG2-CG2 4.27Å; I24-D62 HydrophobicContact CD1-CB 3.39Å; I24-D62 VanDerWaalsContact CD1-CG 3.47Å |
| 25 | M | 94.7 | Very high | 94.2 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 22% | 0.222 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 179.8 | -74.3 | -67.4 | -66 | 0 | 0 | 111.6 | S21 F27 K29 G30 S31 Y44 | S21-M25 VanDerWaalsContact O-CB 3.28Å; S21-M25 WeakPolarHBondContact O-CB 3.42Å; S21-M25 VanDerWaalsContact O-CG 3.22Å; S21-M25 WeakPolarHBondContact O-CG 3.39Å; S21-M25 PolarHBondContact O-N 2.85Å; M25-F27 VanDerWaalsContact C-N 3.34Å; M25-K29 HydrophobicContact CE-CB 4.49Å; M25-K29 HydrophobicContact CE-CD 3.57Å; M25-K29 HydrophobicContact CE-CG 4.33Å; M25-K29 CarbonylContact O-C 3.51Å; M25-K29 WeakPolarHBondContact O-CA 3.44Å; M25-K29 WeakPolarHBondContact O-CB 3.12Å; M25-K29 PolarHBondContact O-N 2.95Å; M25-K29 HydrophobicContact SD-CD 3.87Å; M25-K29 HydrophobicContact SD-CG 4.36Å; M25-G30 PolarHBondContact O-N 2.89Å; M25-S31 CarbonylContact C-O 3.5Å; M25-S31 VanDerWaalsContact C-O 3.3Å; M25-S31 PolarHBondContact O-N 3.16Å; M25-Y44 HydrophobicContact SD-CE1 3.6Å |
| 26 | R | 96.8 | Very high | 93.5 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 175.2 | -179.5 | 57.5 | 75.1 | -176.7 | 14.4 | 111.2 | S22 I23 I24 G30 S31 A154 K155 N157 I160 | S22-R26 WeakPolarHBondContact O-CB 3.19Å; S22-R26 PolarHBondContact O-N 2.83Å; I23-R26 PolarHBondContact O-N 3.42Å; I24-R26 VanDerWaalsContact C-N 3.3Å; I24-R26 PolarHBondContact O-N 3.32Å; R26-G30 PolarHBondContact NH1-O 3.06Å; R26-G30 WeakPolarHBondContact O-CA 3.39Å; R26-G30 PolarHBondContact O-N 3.24Å; R26-G30 VanDerWaalsContact O-N 3.09Å; R26-S31 WeakPolarHBondContact CA-O 3.38Å; R26-S31 PolarHBondContact N-O 3.04Å; R26-S31 VanDerWaalsContact N-O 3.13Å; R26-A154 PolarHBondContact NE-O 2.97Å; R26-K155 PolarHBondContact NH2-O 3.5Å; R26-N157 VanDerWaalsContact CD-OD1 3.31Å; R26-N157 WeakPolarHBondContact CD-OD1 3.41Å; R26-N157 HydrophobicContact CG-CB 4.2Å; R26-N157 WeakPolarHBondContact CG-OD1 3.3Å; R26-I160 HydrophobicContact CB-CG2 4.26Å; R26-I160 HydrophobicContact CG-CB 4.26Å; R26-I160 HydrophobicContact CG-CG1 3.87Å; R26-I160 HydrophobicContact CG-CG2 4.01Å |
| 27 | F | 96.9 | Very high | 93 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -52.3 | 178.5 | 176.2 | -112.6 | 0 | 0 | 0 | 113 | I23 I24 M25 L58 I60 I160 F164 L178 | I23-F27 WeakPolarHBondContact O-CB 3.39Å; I23-F27 PolarHBondContact O-N 2.97Å; I24-F27 PolarHBondContact O-N 2.92Å; M25-F27 VanDerWaalsContact C-N 3.34Å; F27-L58 HydrophobicContact CE1-CD2 4.19Å; F27-I60 HydrophobicContact CD1-CD1 3.68Å; F27-I60 HydrophobicContact CE1-CD1 3.67Å; F27-I160 HydrophobicContact CB-CG2 3.7Å; F27-I160 HydrophobicContact CD2-CG2 4.43Å; F27-F164 HydrophobicContact CB-CD2 3.91Å; F27-F164 HydrophobicContact CB-CE2 3.44Å; F27-F164 VanDerWaalsContact CB-CE2 3.44Å; F27-F164 HydrophobicContact CB-CZ 4.16Å; F27-F164 HydrophobicContact CD1-CD1 4.21Å; F27-F164 AromaticContact CD1-CD2 3.75Å; F27-F164 HydrophobicContact CD1-CD2 3.75Å; F27-F164 HydrophobicContact CD1-CE1 4.1Å; F27-F164 AromaticContact CD1-CE2 3.66Å; F27-F164 HydrophobicContact CD1-CE2 3.66Å; F27-F164 HydrophobicContact CD1-CG 4.05Å; F27-F164 AromaticContact CD1-CZ 3.83Å; F27-F164 HydrophobicContact CD1-CZ 3.83Å; F27-F164 HydrophobicContact CD2-CB 4.26Å; F27-F164 AromaticContact CD2-CD2 3.28Å; F27-F164 HydrophobicContact CD2-CD2 3.28Å; F27-F164 AromaticContact CD2-CE2 3.78Å; F27-F164 HydrophobicContact CD2-CE2 3.78Å; F27-F164 AromaticContact CD2-CG 3.89Å; F27-F164 HydrophobicContact CD2-CG 3.89Å; F27-F164 HydrophobicContact CE1-CB 4.47Å; F27-F164 HydrophobicContact CE1-CD1 4.06Å; F27-F164 HydrophobicContact CE1-CD2 4.1Å; F27-F164 HydrophobicContact CE1-CE1 4.32Å; F27-F164 HydrophobicContact CE1-CE2 4.39Å; F27-F164 AromaticContact CE1-CG 3.95Å; F27-F164 HydrophobicContact CE1-CG 3.95Å; F27-F164 HydrophobicContact CE1-CZ 4.48Å; F27-F164 HydrophobicContact CE2-CB 3.73Å; F27-F164 AromaticContact CE2-CD2 3.65Å; F27-F164 HydrophobicContact CE2-CD2 3.65Å; F27-F164 HydrophobicContact CE2-CE2 4.46Å; F27-F164 AromaticContact CE2-CG 3.76Å; F27-F164 HydrophobicContact CE2-CG 3.76Å; F27-F164 AromaticContact CG-CD2 3.34Å; F27-F164 HydrophobicContact CG-CD2 3.34Å; F27-F164 AromaticContact CG-CE2 3.32Å; F27-F164 HydrophobicContact CG-CE2 3.32Å; F27-F164 HydrophobicContact CG-CG 4.04Å; F27-F164 AromaticContact CG-CZ 3.98Å; F27-F164 HydrophobicContact CG-CZ 3.98Å; F27-F164 HydrophobicContact CZ-CB 3.86Å; F27-F164 HydrophobicContact CZ-CD1 4.28Å; F27-F164 HydrophobicContact CZ-CD2 4.05Å; F27-F164 AromaticContact CZ-CG 3.8Å; F27-F164 HydrophobicContact CZ-CG 3.8Å; F27-L178 HydrophobicContact CE2-CD1 3.61Å; F27-L178 HydrophobicContact CE2-CD2 4.2Å; F27-L178 HydrophobicContact CZ-CD1 3.98Å; F27-L178 HydrophobicContact CZ-CD2 3.67Å; F27-L178 HydrophobicContact CZ-CG 4.49Å |
| 28 | V | 94.3 | Very high | 92.5 | Very high | 34 Ų | 34 | 59.1 Ų | 59.1 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -80.6 | -40.8 | -170.6 | 178.4 | 0 | 0 | 0 | 0 | 111.9 | I24 Y44 I60 | I24-V28 HydrophobicContact CG2-CG2 3.99Å; I24-V28 WeakPolarHBondContact O-CB 2.93Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 2.77Å; V28-Y44 HydrophobicContact CB-CD1 4.5Å; V28-Y44 HydrophobicContact CG1-CD1 4.27Å; V28-Y44 HydrophobicContact CG2-CG 4.47Å; V28-I60 HydrophobicContact CG2-CD1 4.16Å |
| 29 | K | 92.7 | Very high | 91.7 | Very high | 127 Ų | 127 | 60.7 Ų | 60.7 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -112.7 | -4.2 | -172.2 | -56.1 | -166.9 | -166.9 | 165.6 | 0 | 113.5 | M25 S31 | M25-K29 HydrophobicContact CE-CB 4.49Å; M25-K29 HydrophobicContact CE-CD 3.57Å; M25-K29 HydrophobicContact CE-CG 4.33Å; M25-K29 CarbonylContact O-C 3.51Å; M25-K29 WeakPolarHBondContact O-CA 3.44Å; M25-K29 WeakPolarHBondContact O-CB 3.12Å; M25-K29 PolarHBondContact O-N 2.95Å; M25-K29 HydrophobicContact SD-CD 3.87Å; M25-K29 HydrophobicContact SD-CG 4.36Å; K29-S31 PolarHBondContact O-N 3.16Å |
| 30 | G | 94.8 | Very high | 91 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 50% | 0.495 | 36% | 0.359 | S | S | . | . | S | Bend | trans | 64.7 | 18.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M25 R26 | M25-G30 PolarHBondContact O-N 2.89Å; R26-G30 PolarHBondContact NH1-O 3.06Å; R26-G30 WeakPolarHBondContact O-CA 3.39Å; R26-G30 PolarHBondContact O-N 3.24Å; R26-G30 VanDerWaalsContact O-N 3.09Å |
| 31 | S | 94.6 | Very high | 90.2 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | trans | -120.2 | 157.5 | -173.7 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | M25 R26 K29 | M25-S31 CarbonylContact C-O 3.5Å; M25-S31 VanDerWaalsContact C-O 3.3Å; M25-S31 PolarHBondContact O-N 3.16Å; R26-S31 WeakPolarHBondContact CA-O 3.38Å; R26-S31 PolarHBondContact N-O 3.04Å; R26-S31 VanDerWaalsContact N-O 3.13Å; K29-S31 PolarHBondContact O-N 3.16Å | ||
| 32 | F | 94.5 | Very high | 89.9 | Confident | 65 Ų | 65 | 72.9 Ų | 72.9 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | trans | -141 | 138.3 | 176.7 | 177.4 | -96.1 | 0 | 0 | 0 | 108.8 | E34 A154 K155 | F32-E34 HydrophobicContact CD1-CG 4.23Å; F32-E34 HydrophobicContact CE1-CG 3.69Å; F32-A154 HydrophobicContact CD2-CB 4.09Å; F32-A154 WeakPolarHBondContact CD2-O 3.49Å; F32-A154 HydrophobicContact CE2-CB 4.07Å; F32-K155 HydrophobicContact CD1-CB 4.45Å; F32-K155 HydrophobicContact CD1-CG 4.25Å; F32-K155 HydrophobicContact CE1-CB 3.92Å; F32-K155 HydrophobicContact CE1-CD 4.43Å; F32-K155 HydrophobicContact CE1-CG 3.72Å; F32-K155 HydrophobicContact CE2-CB 4Å; F32-K155 HydrophobicContact CZ-CB 3.68Å; F32-K155 HydrophobicContact CZ-CG 3.99Å | ||
| 33 | N | 90.6 | Very high | 89.7 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | trans | -117.6 | 125.4 | 175.9 | -172.1 | -7.6 | 0 | 0 | 0 | 108.3 | N35 | N33-N35 VanDerWaalsContact C-N 3.31Å; N33-N35 PolarHBondContact OD1-N 3.32Å | ||
| 34 | E | 88.2 | Confident | 89.5 | Confident | 148 Ų | 148 | 75.3 Ų | 75.3 | 69% | 0.692 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -71.9 | -27.3 | 177.9 | -75 | -174.7 | 167.3 | 0 | 0 | 112.4 | F32 Y36 | F32-E34 HydrophobicContact CD1-CG 4.23Å; F32-E34 HydrophobicContact CE1-CG 3.69Å; E34-Y36 PolarHBondContact O-N 3.18Å |
| 35 | N | 86.5 | Confident | 89.3 | Confident | 124 Ų | 124 | 83 Ų | 83 | 66% | 0.663 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -76.5 | 120.4 | 179.8 | -65.5 | -42.8 | 0 | 0 | 0 | 110.3 | N33 V37 | N33-N35 VanDerWaalsContact C-N 3.31Å; N33-N35 PolarHBondContact OD1-N 3.32Å; N35-V37 PolarHBondContact O-N 3.4Å |
| 36 | Y | 79.5 | Confident | 89.2 | Confident | 150 Ų | 150 | 84.4 Ų | 84.4 | 59% | 0.588 | 43% | 0.43 | S | S | * | . | trans | -72.5 | 116.8 | 174.2 | -179.6 | -109.1 | 0 | 0 | 0 | 110.7 | G17 E34 P38 | G17-Y36 PolarHBondContact N-OH 3.34Å; E34-Y36 PolarHBondContact O-N 3.18Å; Y36-P38 HydrophobicContact CD1-CG 4.48Å; Y36-P38 HydrophobicContact CE1-CG 3.87Å | ||
| 37 | V | 80.8 | Confident | 89 | Confident | 103 Ų | 103 | 85.9 Ų | 85.9 | 62% | 0.624 | 44% | 0.444 | S | S | * | . | trans | -114.9 | 120.2 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 107.2 | N35 T39 | N35-V37 PolarHBondContact O-N 3.4Å; V37-T39 PolarHBondContact O-N 2.7Å | ||
| 38 | P | 81.7 | Confident | 88.8 | Confident | 90 Ų | 90 | 84.2 Ų | 84.2 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 128.8 | 174.1 | -26.6 | 34.2 | 0 | 0 | 0 | 111.4 | Y36 | Y36-P38 HydrophobicContact CD1-CG 4.48Å; Y36-P38 HydrophobicContact CE1-CG 3.87Å |
| 39 | T | 79.4 | Confident | 88.6 | Confident | 34 Ų | 34 | 82.8 Ų | 82.8 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 135.1 | -174.7 | -43.4 | 0 | 0 | 0 | 0 | 111 | S21 V37 D62 T64 | S21-T39 WeakPolarHBondContact OG-CG2 3.34Å; S21-T39 PolarHBondContact OG-OG1 3.5Å; V37-T39 PolarHBondContact O-N 2.7Å; T39-D62 HydrophobicContact CG2-CB 4.27Å; T39-D62 VanDerWaalsContact CG2-CG 3.48Å; T39-D62 VanDerWaalsContact CG2-OD2 3.22Å; T39-D62 WeakPolarHBondContact CG2-OD2 3.32Å; T39-T64 WeakPolarHBondContact O-CG2 3.48Å |
| 40 | I | 80.7 | Confident | 88.5 | Confident | 152 Ų | 152 | 77 Ų | 77 | 78% | 0.779 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -94 | 135.3 | 155.2 | -62.3 | 171 | 0 | 0 | 0 | 105.8 | D42 | I40-D42 PolarHBondContact O-N 3.09Š|
| 41 | E | 81 | Confident | 88.1 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 33% | 0.327 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 126.6 | -177.1 | -177.4 | -176.3 | 142.8 | 0 | 0 | 111.6 | T61 D62 T64 Q68 | E41-T61 HydrophobicContact CG-CG2 4Å; E41-D62 WeakPolarHBondContact CA-O 3.39Å; E41-T64 HydrophobicContact CB-CG2 4.26Å; E41-Q68 PolarHBondContact OE2-NE2 3.03Å |
| 42 | D | 88.4 | Confident | 87.3 | Confident | 82 Ų | 82 | 82.1 Ų | 82.1 | 44% | 0.439 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.7 | -180 | -162.2 | 4.3 | 0 | 0 | 0 | 110.2 | I40 Y44 T61 D62 | I40-D42 PolarHBondContact O-N 3.09Å; D42-Y44 HydrophobicContact CB-CE2 4.12Å; D42-T61 WeakPolarHBondContact O-CA 3.23Å; D42-D62 PolarHBondContact N-O 3.33Å; D42-D62 PolarHBondContact O-N 3.01Å |
| 43 | T | 92.1 | Very high | 86.6 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 31% | 0.307 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 115.7 | 178.1 | -63.2 | 0 | 0 | 0 | 0 | 111 | H59 I60 T61 | T43-H59 HydrophobicContact CG2-CB 3.94Å; T43-I60 WeakPolarHBondContact CA-O 3.31Å; T43-T61 PolarHBondContact OG1-OG1 2.93Å |
| 44 | Y | 94 | Very high | 86.5 | Confident | 34 Ų | 34 | 84.8 Ų | 84.8 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 151.1 | 176.7 | -61 | -100 | 0 | 0 | 0 | 110.5 | I24 M25 V28 D42 H59 I60 D62 | I24-Y44 HydrophobicContact CG2-CD1 4.11Å; I24-Y44 HydrophobicContact CG2-CD2 3.36Å; I24-Y44 HydrophobicContact CG2-CE1 4.44Å; I24-Y44 HydrophobicContact CG2-CE2 3.77Å; I24-Y44 HydrophobicContact CG2-CG 3.56Å; M25-Y44 HydrophobicContact SD-CE1 3.6Å; V28-Y44 HydrophobicContact CB-CD1 4.5Å; V28-Y44 HydrophobicContact CG1-CD1 4.27Å; V28-Y44 HydrophobicContact CG2-CG 4.47Å; D42-Y44 HydrophobicContact CB-CE2 4.12Å; Y44-H59 CarbonylContact O-C 3.43Å; Y44-H59 WeakPolarHBondContact O-CA 3.43Å; Y44-I60 PolarHBondContact N-O 3.26Å; Y44-I60 PolarHBondContact O-N 2.66Å; Y44-D62 HydrophobicContact CE2-CB 4.11Å |
| 45 | R | 93.9 | Very high | 86.6 | Confident | 160 Ų | 160 | 81 Ų | 81 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.5 | -176.1 | -64.1 | 177.1 | -174.1 | -124.1 | -2.5 | 111 | T57 L58 H59 | R45-T57 HydrophobicContact CB-CG2 3.89Å; R45-T57 HydrophobicContact CG-CG2 4.1Å; R45-L58 VanDerWaalsContact CA-O 3.29Å; R45-L58 WeakPolarHBondContact CA-O 3.46Å; R45-H59 PolarHBondContact NH1-CE1 2.81Å |
| 46 | Q | 92 | Very high | 86.8 | Confident | 76 Ų | 76 | 75.3 Ų | 75.3 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 136.1 | 174.4 | -172 | 63.1 | 45.1 | 0 | 0 | 109.3 | I48 L58 | Q46-I48 HydrophobicContact CG-CG2 4.36Å; Q46-L58 HydrophobicContact CB-CB 4.39Å; Q46-L58 PolarHBondContact N-O 2.87Å; Q46-L58 WeakPolarHBondContact O-CB 3.42Å; Q46-L58 PolarHBondContact O-N 3.23Å |
| 47 | V | 92.2 | Very high | 87.5 | Confident | 78 Ų | 78 | 70.1 Ų | 70.1 | 47% | 0.473 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 128.9 | 171.4 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | V55 | V47-V55 HydrophobicContact CG1-CB 3.95Å; V47-V55 HydrophobicContact CG1-CG1 4.15Å |
| 48 | I | 93 | Very high | 88.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 159.8 | 178.8 | 63.7 | 166.1 | 0 | 0 | 0 | 110.6 | Q46 V55 C56 L58 L168 L176 S177 L178 | Q46-I48 HydrophobicContact CG-CG2 4.36Å; I48-V55 WeakPolarHBondContact O-CA 3.39Å; I48-C56 WeakPolarHBondContact CG1-SG 3.31Å; I48-C56 PolarHBondContact N-O 3.36Å; I48-C56 PolarHBondContact O-N 2.82Å; I48-L58 HydrophobicContact CD1-CB 3.99Å; I48-L58 HydrophobicContact CG1-CB 4.15Å; I48-L58 HydrophobicContact CG2-CB 3.97Å; I48-L58 HydrophobicContact CG2-CD2 4.2Å; I48-L168 HydrophobicContact CD1-CD1 3.99Å; I48-L168 HydrophobicContact CD1-CD2 3.87Å; I48-L176 HydrophobicContact CD1-CB 4.43Å; I48-L176 HydrophobicContact CD1-CD2 4.12Å; I48-S177 WeakPolarHBondContact CB-O 3.48Å; I48-L178 HydrophobicContact CG2-CD2 3.87Å |
| 49 | S | 90.5 | Very high | 88.9 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 140.4 | 172.7 | 179 | 0 | 0 | 0 | 0 | 110.5 | K52 L176 S177 | S49-K52 PolarHBondContact OG-O 3.08Å; S49-L176 WeakPolarHBondContact O-CA 3.08Å; S49-S177 PolarHBondContact N-O 2.82Å; S49-S177 PolarHBondContact O-N 2.69Å |
| 50 | C | 89.2 | Confident | 89.7 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.034 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125.8 | 176.6 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | K52 N54 C56 K175 L176 | C50-K52 VanDerWaalsContact C-N 3.28Å; C50-K52 PolarHBondContact O-N 2.95Å; C50-N54 PolarHBondContact N-O 3.47Å; C50-N54 CarbonylContact O-C 3.58Å; C50-N54 WeakPolarHBondContact O-CA 3.16Å; C50-N54 VanDerWaalsContact O-CB 3.25Å; C50-N54 WeakPolarHBondContact O-CB 3.29Å; C50-N54 PolarHBondContact O-N 3.34Å; C50-C56 HydrophobicContact CB-CB 4.13Å; C50-K175 CarbonylContact C-O 3.37Å; C50-K175 WeakPolarHBondContact CA-O 3.39Å; C50-L176 HydrophobicContact CB-CD2 4.03Å |
| 51 | N | 87 | Confident | 90.4 | Very high | 76 Ų | 76 | 53.7 Ų | 53.7 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 43.2 | 177.8 | -61.7 | -28.4 | 0 | 0 | 0 | 113.4 | N53 K175 | N51-N53 PolarHBondContact O-N 3.39Å; N51-K175 PolarHBondContact N-O 2.96Å; N51-K175 PolarHBondContact OD1-N 3.16Å |
| 52 | K | 77.6 | Confident | 90.9 | Very high | 127 Ų | 127 | 50.5 Ų | 50.5 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -62.4 | -177.6 | -59.2 | -177.6 | 173.4 | -171.8 | 0 | 114 | S49 C50 I183 | S49-K52 PolarHBondContact OG-O 3.08Å; C50-K52 VanDerWaalsContact C-N 3.28Å; C50-K52 PolarHBondContact O-N 2.95Å; K52-I183 WeakPolarHBondContact O-CD1 3.44Å; K52-I183 WeakPolarHBondContact O-CG1 3.47Å |
| 53 | N | 80.7 | Confident | 90.9 | Very high | 128 Ų | 128 | 46.6 Ų | 46.6 | 68% | 0.684 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -4.5 | -167.7 | -64.2 | -12.2 | 0 | 0 | 0 | 114.3 | N51 | N51-N53 PolarHBondContact O-N 3.39Š|
| 54 | N | 88 | Confident | 90.4 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 165.7 | 177.1 | -58.2 | -44 | 0 | 0 | 0 | 110.6 | C50 | C50-N54 PolarHBondContact N-O 3.47Å; C50-N54 CarbonylContact O-C 3.58Å; C50-N54 WeakPolarHBondContact O-CA 3.16Å; C50-N54 VanDerWaalsContact O-CB 3.25Å; C50-N54 WeakPolarHBondContact O-CB 3.29Å; C50-N54 PolarHBondContact O-N 3.34Å |
| 55 | V | 89.6 | Confident | 89.2 | Confident | 69 Ų | 69 | 44.2 Ų | 44.2 | 42% | 0.418 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 150.7 | 170.9 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | V47 I48 M180 | V47-V55 HydrophobicContact CG1-CB 3.95Å; V47-V55 HydrophobicContact CG1-CG1 4.15Å; I48-V55 WeakPolarHBondContact O-CA 3.39Å; V55-M180 HydrophobicContact CG1-CE 3.18Å; V55-M180 HydrophobicContact CG1-SD 3.54Å; V55-M180 VanDerWaalsContact CG1-SD 3.54Å |
| 56 | C | 91.8 | Very high | 87.7 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.034 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 163.4 | 161.9 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | N6 I48 C50 | N6-C56 HydrophobicContact CB-CB 4Å; N6-C56 WeakPolarHBondContact O-CB 3.32Å; I48-C56 WeakPolarHBondContact CG1-SG 3.31Å; I48-C56 PolarHBondContact N-O 3.36Å; I48-C56 PolarHBondContact O-N 2.82Å; C50-C56 HydrophobicContact CB-CB 4.13Å |
| 57 | T | 93.7 | Very high | 86.7 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 120.1 | 170.1 | -48.4 | 0 | 0 | 0 | 0 | 108.6 | D7 Y8 R45 H59 | D7-T57 WeakPolarHBondContact CA-O 3.41Å; D7-T57 WeakPolarHBondContact OD1-CB 3.4Å; Y8-T57 PolarHBondContact N-O 2.75Å; R45-T57 HydrophobicContact CB-CG2 3.89Å; R45-T57 HydrophobicContact CG-CG2 4.1Å; T57-H59 PolarHBondContact O-CD2 3.18Å |
| 58 | L | 96.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 117.4 | 163.4 | 178.4 | 60.8 | 0 | 0 | 0 | 108.4 | Y8 V10 F27 R45 Q46 I48 I60 L168 | Y8-L58 HydrophobicContact CD1-CD1 3.91Å; Y8-L58 CarbonylContact O-C 3.3Å; Y8-L58 WeakPolarHBondContact O-CA 3.35Å; V10-L58 HydrophobicContact CB-CD1 4.4Å; V10-L58 HydrophobicContact CG2-CD1 3.57Å; F27-L58 HydrophobicContact CE1-CD2 4.19Å; R45-L58 VanDerWaalsContact CA-O 3.29Å; R45-L58 WeakPolarHBondContact CA-O 3.46Å; Q46-L58 HydrophobicContact CB-CB 4.39Å; Q46-L58 PolarHBondContact N-O 2.87Å; Q46-L58 WeakPolarHBondContact O-CB 3.42Å; Q46-L58 PolarHBondContact O-N 3.23Å; I48-L58 HydrophobicContact CD1-CB 3.99Å; I48-L58 HydrophobicContact CG1-CB 4.15Å; I48-L58 HydrophobicContact CG2-CB 3.97Å; I48-L58 HydrophobicContact CG2-CD2 4.2Å; L58-I60 HydrophobicContact CD1-CG1 4.41Å; L58-I60 HydrophobicContact CD2-CD1 3.96Å; L58-I60 HydrophobicContact CD2-CG1 4.12Å; L58-I60 HydrophobicContact CG-CD1 4.21Å; L58-I60 HydrophobicContact CG-CG1 3.85Å; L58-L168 HydrophobicContact CD1-CD2 4.19Å |
| 59 | H | 96.4 | Very high | 85.2 | Confident | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.065 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.9 | 171.9 | -66.2 | -124.1 | 0 | 0 | 0 | 108.2 | D7 Y8 K9 V10 T43 Y44 R45 T57 | D7-H59 IonicContact OD1-CD2 3.99Å; D7-H59 IonicContact OD1-CE1 3.67Å; D7-H59 IonicContact OD1-NE2 3.2Å; D7-H59 PolarHBondContact OD1-NE2 2.88Å; D7-H59 IonicContact OD2-CE1 2.93Å; D7-H59 IonicContact OD2-NE2 3.74Å; D7-H59 PolarHBondContact OD2-NE2 3.36Å; Y8-H59 PolarHBondContact O-N 3.1Å; K9-H59 WeakPolarHBondContact CA-O 3.49Å; K9-H59 HydrophobicContact CG-CB 4.24Å; V10-H59 PolarHBondContact N-O 2.98Å; T43-H59 HydrophobicContact CG2-CB 3.94Å; Y44-H59 CarbonylContact O-C 3.43Å; Y44-H59 WeakPolarHBondContact O-CA 3.43Å; R45-H59 PolarHBondContact NH1-CE1 2.81Å; T57-H59 PolarHBondContact O-CD2 3.18Å |
| 60 | I | 96.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 108.8 | 179.6 | -52.2 | 168.4 | 0 | 0 | 0 | 107.9 | V10 I12 I24 F27 V28 T43 Y44 L58 F164 | V10-I60 CarbonylContact O-C 3.43Å; V10-I60 WeakPolarHBondContact O-CA 3.47Å; I12-I60 HydrophobicContact CD1-CG2 3.75Å; I12-I60 HydrophobicContact CG1-CG2 3.99Å; I24-I60 HydrophobicContact CD1-CG2 3.98Å; I24-I60 HydrophobicContact CG1-CG2 3.9Å; I24-I60 HydrophobicContact CG2-CG2 4.27Å; F27-I60 HydrophobicContact CD1-CD1 3.68Å; F27-I60 HydrophobicContact CE1-CD1 3.67Å; V28-I60 HydrophobicContact CG2-CD1 4.16Å; T43-I60 WeakPolarHBondContact CA-O 3.31Å; Y44-I60 PolarHBondContact N-O 3.26Å; Y44-I60 PolarHBondContact O-N 2.66Å; L58-I60 HydrophobicContact CD1-CG1 4.41Å; L58-I60 HydrophobicContact CD2-CD1 3.96Å; L58-I60 HydrophobicContact CD2-CG1 4.12Å; L58-I60 HydrophobicContact CG-CD1 4.21Å; L58-I60 HydrophobicContact CG-CG1 3.85Å; I60-F164 HydrophobicContact CD1-CD1 4.24Å; I60-F164 HydrophobicContact CD1-CE1 3.59Å; I60-F164 HydrophobicContact CD1-CZ 4.1Å; I60-F164 HydrophobicContact CG1-CE1 4.22Å; I60-F164 HydrophobicContact CG2-CE1 4.35Å |
| 61 | T | 94.8 | Very high | 84.8 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 116.2 | 178.1 | -59.1 | 0 | 0 | 0 | 0 | 109.9 | V10 I12 E41 D42 T43 S63 | V10-T61 PolarHBondContact O-N 3.22Å; I12-T61 PolarHBondContact N-O 2.89Å; I12-T61 VanDerWaalsContact N-O 3.07Å; E41-T61 HydrophobicContact CG-CG2 4Å; D42-T61 WeakPolarHBondContact O-CA 3.23Å; T43-T61 PolarHBondContact OG1-OG1 2.93Å; T61-S63 PolarHBondContact O-N 3.2Å |
| 62 | D | 92.2 | Very high | 84.8 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 100.7 | 173.2 | -166.3 | 4.3 | 0 | 0 | 0 | 109.3 | S21 I24 T39 E41 D42 Y44 | S21-D62 VanDerWaalsContact CA-OD2 3.27Å; S21-D62 WeakPolarHBondContact CA-OD2 3.27Å; S21-D62 WeakPolarHBondContact CB-OD2 3.45Å; S21-D62 VanDerWaalsContact OG-CG 3.27Å; S21-D62 PolarHBondContact OG-OD1 2.93Å; S21-D62 PolarHBondContact OG-OD2 2.88Å; I24-D62 HydrophobicContact CD1-CB 3.39Å; I24-D62 VanDerWaalsContact CD1-CG 3.47Å; T39-D62 HydrophobicContact CG2-CB 4.27Å; T39-D62 VanDerWaalsContact CG2-CG 3.48Å; T39-D62 VanDerWaalsContact CG2-OD2 3.22Å; T39-D62 WeakPolarHBondContact CG2-OD2 3.32Å; E41-D62 WeakPolarHBondContact CA-O 3.39Å; D42-D62 PolarHBondContact N-O 3.33Å; D42-D62 PolarHBondContact O-N 3.01Å; Y44-D62 HydrophobicContact CE2-CB 4.11Å |
| 63 | S | 87.7 | Confident | 85.3 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | trans | -78.5 | 151.8 | -179.7 | 75.1 | 0 | 0 | 0 | 0 | 111.7 | I12 Y13 K20 T61 G65 | I12-S63 VanDerWaalsContact O-CB 3.29Å; I12-S63 WeakPolarHBondContact O-CB 3.27Å; I12-S63 PolarHBondContact O-OG 3.16Å; Y13-S63 WeakPolarHBondContact CD1-OG 3.39Å; K20-S63 WeakPolarHBondContact CE-O 3.4Å; T61-S63 PolarHBondContact O-N 3.2Å; S63-G65 PolarHBondContact O-N 3.46Å; S63-G65 VanDerWaalsContact O-N 3.08Å; S63-G65 PolarHBondContact OG-N 2.81Å | ||
| 64 | T | 82.5 | Confident | 85.8 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | trans | -73.4 | 6.1 | 172.9 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | T39 E41 Q68 | T39-T64 WeakPolarHBondContact O-CG2 3.48Å; E41-T64 HydrophobicContact CB-CG2 4.26Å; T64-Q68 PolarHBondContact OG1-N 2.97Å | ||
| 65 | G | 68.4 | Low | 86 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | 76.1 | -134.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G14 S63 H67 | G14-G65 WeakPolarHBondContact O-CA 3.31Å; S63-G65 PolarHBondContact O-N 3.46Å; S63-G65 VanDerWaalsContact O-N 3.08Å; S63-G65 PolarHBondContact OG-N 2.81Å; G65-H67 PolarHBondContact O-N 3.06Å |
| 66 | S | 62.7 | Low | 86 | Confident | 76 Ų | 76 | 47.9 Ų | 47.9 | 53% | 0.531 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -73.1 | -5.4 | -176.6 | 46 | 0 | 0 | 0 | 0 | 115 | ||
| 67 | H | 69.7 | Low | 86.1 | Confident | 163 Ų | 163 | 47.6 Ų | 47.6 | 76% | 0.755 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -91 | 1.2 | 179.5 | -61.1 | -62.6 | 0 | 0 | 0 | 114.3 | G65 | G65-H67 PolarHBondContact O-N 3.06Š|
| 68 | Q | 72.2 | Confident | 86.1 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.065 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -70.8 | 140.1 | 179.4 | -163.4 | -178.6 | 17.1 | 0 | 0 | 110.8 | E41 T64 M72 Q73 | E41-Q68 PolarHBondContact OE2-NE2 3.03Å; T64-Q68 PolarHBondContact OG1-N 2.97Å; Q68-M72 HydrophobicContact CG-CB 4.24Å; Q68-Q73 HydrophobicContact CB-CB 4.48Å; Q68-Q73 HydrophobicContact CG-CB 4.35Å |
| 69 | F | 81.5 | Confident | 85.9 | Confident | 148 Ų | 148 | 54.6 Ų | 54.6 | 65% | 0.649 | 29% | 0.289 | S | S | * | . | trans | -58.8 | 128.1 | 174.5 | -174.4 | -113.2 | 0 | 0 | 0 | 110.1 | A71 M72 Q73 | F69-A71 VanDerWaalsContact C-N 3.25Å; F69-A71 HydrophobicContact CD1-CB 3.71Å; F69-A71 HydrophobicContact CE1-CB 3.5Å; F69-A71 VanDerWaalsContact CE1-CB 3.5Å; F69-A71 PolarHBondContact O-N 2.75Å; F69-M72 HydrophobicContact CB-CB 4.49Å; F69-M72 HydrophobicContact CB-CG 4.3Å; F69-M72 HydrophobicContact CD1-CG 4.31Å; F69-M72 WeakPolarHBondContact O-CA 3.18Å; F69-M72 WeakPolarHBondContact O-CB 3.17Å; F69-M72 PolarHBondContact O-N 3.38Å; F69-Q73 PolarHBondContact O-N 3.13Å | ||
| 70 | P | 84 | Confident | 85.8 | Confident | 85 Ų | 85 | 54.1 Ų | 54.1 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55 | -35.1 | -170 | -30.9 | 35.7 | 0 | 0 | 0 | 115.1 | Q73 R74 | P70-Q73 PolarHBondContact O-N 2.93Å; P70-R74 WeakPolarHBondContact O-CB 3.16Å; P70-R74 PolarHBondContact O-N 3.45Å |
| 71 | A | 87.4 | Confident | 85.8 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F69 L75 | F69-A71 VanDerWaalsContact C-N 3.25Å; F69-A71 HydrophobicContact CD1-CB 3.71Å; F69-A71 HydrophobicContact CE1-CB 3.5Å; F69-A71 VanDerWaalsContact CE1-CB 3.5Å; F69-A71 PolarHBondContact O-N 2.75Å; A71-L75 WeakPolarHBondContact O-CB 3.22Å; A71-L75 PolarHBondContact O-N 2.76Å |
| 72 | M | 86.3 | Confident | 85.9 | Confident | 87 Ų | 87 | 54.5 Ų | 54.5 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.4 | -41.3 | 176.4 | -67.5 | -59.2 | -68.5 | 0 | 0 | 110.9 | Q68 F69 R74 L75 S76 | Q68-M72 HydrophobicContact CG-CB 4.24Å; F69-M72 HydrophobicContact CB-CB 4.49Å; F69-M72 HydrophobicContact CB-CG 4.3Å; F69-M72 HydrophobicContact CD1-CG 4.31Å; F69-M72 WeakPolarHBondContact O-CA 3.18Å; F69-M72 WeakPolarHBondContact O-CB 3.17Å; F69-M72 PolarHBondContact O-N 3.38Å; M72-R74 PolarHBondContact O-N 3.2Å; M72-L75 PolarHBondContact O-N 3.07Å; M72-S76 WeakPolarHBondContact O-CB 3.34Å; M72-S76 PolarHBondContact O-N 2.8Å |
| 73 | Q | 88.5 | Confident | 86.1 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.154 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 174.6 | -162.2 | -173.7 | 21.4 | 0 | 0 | 111.1 | Y13 Q68 F69 P70 L75 S76 V77 F104 | Y13-Q73 HydrophobicContact CE1-CG 3.97Å; Q68-Q73 HydrophobicContact CB-CB 4.48Å; Q68-Q73 HydrophobicContact CG-CB 4.35Å; F69-Q73 PolarHBondContact O-N 3.13Å; P70-Q73 PolarHBondContact O-N 2.93Å; Q73-L75 VanDerWaalsContact C-N 3.33Å; Q73-L75 PolarHBondContact O-N 2.91Å; Q73-S76 PolarHBondContact O-N 2.7Å; Q73-V77 WeakPolarHBondContact O-CG2 3.42Å; Q73-V77 PolarHBondContact O-N 2.98Å; Q73-F104 HydrophobicContact CB-CE1 4.26Å; Q73-F104 HydrophobicContact CB-CZ 4.3Å; Q73-F104 HydrophobicContact CG-CD1 4.38Å; Q73-F104 HydrophobicContact CG-CE1 3.62Å; Q73-F104 HydrophobicContact CG-CZ 4.12Å |
| 74 | R | 92.1 | Very high | 86.6 | Confident | 128 Ų | 128 | 54.4 Ų | 54.4 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.4 | -178.8 | 176.4 | -69.8 | -86.4 | -1 | 111.8 | P70 M72 S78 F104 V108 | P70-R74 WeakPolarHBondContact O-CB 3.16Å; P70-R74 PolarHBondContact O-N 3.45Å; M72-R74 PolarHBondContact O-N 3.2Å; R74-S78 VanDerWaalsContact O-CB 3.22Å; R74-S78 WeakPolarHBondContact O-CB 3.37Å; R74-S78 PolarHBondContact O-N 3.19Å; R74-F104 HydrophobicContact CB-CZ 4.2Å; R74-V108 HydrophobicContact CG-CG1 3.96Å; R74-V108 HydrophobicContact CG-CG2 4.13Å |
| 75 | L | 90.8 | Very high | 87.4 | Confident | 77 Ų | 77 | 53 Ų | 53 | 40% | 0.403 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 177.7 | -174.1 | 64.5 | 0 | 0 | 0 | 111.9 | A71 M72 Q73 S78 K79 | A71-L75 WeakPolarHBondContact O-CB 3.22Å; A71-L75 PolarHBondContact O-N 2.76Å; M72-L75 PolarHBondContact O-N 3.07Å; Q73-L75 VanDerWaalsContact C-N 3.33Å; Q73-L75 PolarHBondContact O-N 2.91Å; L75-S78 PolarHBondContact O-N 3.09Å; L75-K79 HydrophobicContact CD1-CD 3.97Å; L75-K79 VanDerWaalsContact CD1-CE 3.48Å; L75-K79 HydrophobicContact CD1-CG 4.39Å; L75-K79 HydrophobicContact CG-CD 4.14Å; L75-K79 WeakPolarHBondContact O-CB 3.5Å; L75-K79 WeakPolarHBondContact O-CG 3.32Å; L75-K79 PolarHBondContact O-N 2.92Å |
| 76 | S | 91.1 | Very high | 88.8 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 176.7 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | Y13 M72 Q73 S78 K79 G80 | Y13-S76 WeakPolarHBondContact OH-CB 3.34Å; Y13-S76 PolarHBondContact OH-OG 2.94Å; M72-S76 WeakPolarHBondContact O-CB 3.34Å; M72-S76 PolarHBondContact O-N 2.8Å; Q73-S76 PolarHBondContact O-N 2.7Å; S76-S78 PolarHBondContact O-N 3.41Å; S76-K79 PolarHBondContact O-N 3.13Å; S76-G80 PolarHBondContact O-N 3.42Å |
| 77 | V | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 112.3 | Y13 Q73 K79 G80 F83 F104 I105 V108 R109 | Y13-V77 HydrophobicContact CE2-CG2 4.01Å; Q73-V77 WeakPolarHBondContact O-CG2 3.42Å; Q73-V77 PolarHBondContact O-N 2.98Å; V77-K79 VanDerWaalsContact C-N 3.27Å; V77-K79 PolarHBondContact O-N 2.93Å; V77-G80 PolarHBondContact O-N 2.8Å; V77-F83 HydrophobicContact CB-CE1 4.31Å; V77-F83 HydrophobicContact CB-CZ 4.38Å; V77-F83 HydrophobicContact CG1-CE1 4.36Å; V77-F83 HydrophobicContact CG1-CZ 4.09Å; V77-F83 HydrophobicContact CG2-CE1 4.07Å; V77-F83 WeakPolarHBondContact O-CZ 3.37Å; V77-F104 HydrophobicContact CB-CE1 4.39Å; V77-F104 HydrophobicContact CG2-CD1 4.14Å; V77-F104 HydrophobicContact CG2-CE1 3.76Å; V77-I105 HydrophobicContact CG1-CB 4.33Å; V77-I105 HydrophobicContact CG1-CG1 4.19Å; V77-I105 HydrophobicContact CG1-CG2 4.23Å; V77-I105 HydrophobicContact CG2-CG1 4.1Å; V77-V108 HydrophobicContact CB-CB 4.27Å; V77-V108 HydrophobicContact CB-CG1 3.91Å; V77-V108 HydrophobicContact CG1-CB 3.64Å; V77-V108 HydrophobicContact CG1-CG1 3.63Å; V77-V108 HydrophobicContact CG1-CG2 4.4Å; V77-R109 HydrophobicContact CG1-CG 4.02Å; V77-R109 VanDerWaalsContact O-CD 3.24Å; V77-R109 WeakPolarHBondContact O-CD 3.48Å; V77-R109 PolarHBondContact O-NH1 3.36Å |
| 78 | S | 93.5 | Very high | 91.9 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.2 | -34.5 | 177.9 | 176 | 0 | 0 | 0 | 0 | 112.4 | R74 L75 S76 R109 | R74-S78 VanDerWaalsContact O-CB 3.22Å; R74-S78 WeakPolarHBondContact O-CB 3.37Å; R74-S78 PolarHBondContact O-N 3.19Å; L75-S78 PolarHBondContact O-N 3.09Å; S76-S78 PolarHBondContact O-N 3.41Å; S78-R109 PolarHBondContact O-NH1 2.54Å; S78-R109 VanDerWaalsContact O-NH1 3.16Å |
| 79 | K | 92.6 | Very high | 93.1 | Very high | 115 Ų | 115 | 40.8 Ų | 40.8 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -94.2 | -13.4 | -178.9 | -69.4 | -179.8 | 175.2 | 173.6 | 0 | 114.6 | K9 L75 S76 V77 | K9-K79 HydrophobicContact CD-CB 4.49Å; L75-K79 HydrophobicContact CD1-CD 3.97Å; L75-K79 VanDerWaalsContact CD1-CE 3.48Å; L75-K79 HydrophobicContact CD1-CG 4.39Å; L75-K79 HydrophobicContact CG-CD 4.14Å; L75-K79 WeakPolarHBondContact O-CB 3.5Å; L75-K79 WeakPolarHBondContact O-CG 3.32Å; L75-K79 PolarHBondContact O-N 2.92Å; S76-K79 PolarHBondContact O-N 3.13Å; V77-K79 VanDerWaalsContact C-N 3.27Å; V77-K79 PolarHBondContact O-N 2.93Å |
| 80 | G | 94.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 4% | 0.041 | 19% | 0.189 | C | C | . | . | trans | -64.9 | 143.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S76 V77 R109 | S76-G80 PolarHBondContact O-N 3.42Å; V77-G80 PolarHBondContact O-N 2.8Å; G80-R109 PolarHBondContact O-NH1 2.85Å; G80-R109 PolarHBondContact O-NH2 2.85Å | ||
| 81 | N | 95.3 | Very high | 94.6 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 16% | 0.155 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -95.1 | -27.5 | 170.7 | -61.1 | 111.8 | 0 | 0 | 0 | 111.9 | Y8 K9 L116 | Y8-N81 HydrophobicContact CD1-CB 4.36Å; Y8-N81 HydrophobicContact CD2-CB 3.79Å; Y8-N81 HydrophobicContact CE1-CB 4.07Å; Y8-N81 HydrophobicContact CE2-CB 3.46Å; Y8-N81 VanDerWaalsContact CE2-CB 3.46Å; Y8-N81 HydrophobicContact CG-CB 4.23Å; K9-N81 PolarHBondContact N-OD1 2.78Å; K9-N81 WeakPolarHBondContact O-CA 3.42Å; K9-N81 PolarHBondContact O-N 2.92Å; N81-L116 WeakPolarHBondContact O-CD1 3.38Å |
| 82 | A | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 160 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y8 K9 V10 A11 P117 L167 | Y8-A82 HydrophobicContact CE1-CB 3.88Å; K9-A82 PolarHBondContact O-N 3.42Å; V10-A82 WeakPolarHBondContact CA-O 2.96Å; V10-A82 HydrophobicContact CG2-CB 4.18Å; A11-A82 PolarHBondContact N-O 2.73Å; A11-A82 VanDerWaalsContact N-O 3.17Å; A82-P117 CarbonylContact C-O 3.56Å; A82-P117 VanDerWaalsContact CA-O 3.27Å; A82-P117 WeakPolarHBondContact CA-O 3.46Å; A82-P117 HydrophobicContact CB-CB 3.78Å; A82-P117 HydrophobicContact CB-CG 4.39Å; A82-L167 HydrophobicContact CB-CD1 4.08Å; A82-L167 HydrophobicContact CB-CD2 4.05Å; A82-L167 HydrophobicContact CB-CG 4.05Å |
| 83 | F | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.5 | -174.9 | -59.2 | -84.2 | 0 | 0 | 0 | 112.2 | A11 Y13 V77 L85 I105 L116 P117 I118 M119 | A11-F83 HydrophobicContact CB-CD1 3.96Å; A11-F83 HydrophobicContact CB-CE1 3.99Å; A11-F83 WeakPolarHBondContact O-CA 3.25Å; Y13-F83 HydrophobicContact CD2-CD1 4.1Å; Y13-F83 AromaticContact CE2-CD1 3.76Å; Y13-F83 HydrophobicContact CE2-CD1 3.76Å; Y13-F83 HydrophobicContact CE2-CE1 4.02Å; V77-F83 HydrophobicContact CB-CE1 4.31Å; V77-F83 HydrophobicContact CB-CZ 4.38Å; V77-F83 HydrophobicContact CG1-CE1 4.36Å; V77-F83 HydrophobicContact CG1-CZ 4.09Å; V77-F83 HydrophobicContact CG2-CE1 4.07Å; V77-F83 WeakPolarHBondContact O-CZ 3.37Å; F83-L85 HydrophobicContact CB-CD2 4.43Å; F83-I105 HydrophobicContact CB-CD1 4.16Å; F83-I105 HydrophobicContact CD1-CD1 4.02Å; F83-I105 HydrophobicContact CD2-CG2 4.3Å; F83-I105 HydrophobicContact CE2-CG2 4.32Å; F83-I105 HydrophobicContact CG-CD1 3.97Å; F83-L116 HydrophobicContact CD2-CD1 4.29Å; F83-L116 HydrophobicContact CD2-CD2 3.7Å; F83-L116 HydrophobicContact CD2-CG 3.91Å; F83-L116 HydrophobicContact CE2-CD1 3.94Å; F83-L116 HydrophobicContact CE2-CD2 3.56Å; F83-L116 HydrophobicContact CE2-CG 3.95Å; F83-P117 PolarHBondContact N-O 3.5Å; F83-I118 HydrophobicContact CB-CG1 4.27Å; F83-I118 HydrophobicContact CD2-CG1 4.41Å; F83-I118 VanDerWaalsContact O-CA 3.31Å; F83-I118 WeakPolarHBondContact O-CA 3.46Å; F83-M119 PolarHBondContact O-N 2.95Å |
| 84 | I | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.3 | 172 | -56.6 | -178.9 | 0 | 0 | 0 | 107.8 | V10 A11 I12 Y13 V86 V121 L163 F164 L167 | V10-I84 HydrophobicContact CG1-CD1 3.93Å; V10-I84 HydrophobicContact CG1-CG1 3.92Å; A11-I84 PolarHBondContact O-N 2.83Å; I12-I84 CarbonylContact C-O 3.58Å; I12-I84 WeakPolarHBondContact CA-O 3.33Å; I12-I84 HydrophobicContact CB-CB 4.43Å; I12-I84 HydrophobicContact CD1-CB 4.44Å; I12-I84 HydrophobicContact CD1-CD1 3.87Å; I12-I84 HydrophobicContact CG1-CB 4.06Å; I12-I84 HydrophobicContact CG1-CD1 4.13Å; I12-I84 HydrophobicContact CG1-CG1 4.39Å; I12-I84 HydrophobicContact CG2-CB 4.19Å; I12-I84 HydrophobicContact CG2-CG2 4.31Å; Y13-I84 PolarHBondContact N-O 2.89Å; I84-V86 HydrophobicContact CG2-CG2 3.77Å; I84-V121 HydrophobicContact CG2-CB 4.33Å; I84-V121 HydrophobicContact CG2-CG2 3.43Å; I84-V121 VanDerWaalsContact CG2-CG2 3.43Å; I84-L163 HydrophobicContact CD1-CD1 4.3Å; I84-L163 HydrophobicContact CD1-CD2 4.3Å; I84-L163 HydrophobicContact CD1-CG 4.29Å; I84-L163 HydrophobicContact CG2-CD1 4.32Å; I84-L163 HydrophobicContact CG2-CD2 4.39Å; I84-F164 HydrophobicContact CD1-CD1 4.33Å; I84-F164 HydrophobicContact CD1-CE1 3.84Å; I84-F164 HydrophobicContact CD1-CZ 4.17Å; I84-L167 HydrophobicContact CD1-CD2 3.84Å; I84-L167 HydrophobicContact CG1-CD1 4.48Å; I84-L167 HydrophobicContact CG1-CD2 3.64Å |
| 85 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 107.3 | -179.4 | -50.3 | -168.8 | 0 | 0 | 0 | 109.1 | Y13 F83 L98 I101 Y102 I105 I118 M119 I120 V121 | Y13-L85 HydrophobicContact CD2-CD2 4.45Å; F83-L85 HydrophobicContact CB-CD2 4.43Å; L85-L98 HydrophobicContact CB-CD2 4.15Å; L85-I101 HydrophobicContact CD2-CG2 3.75Å; L85-Y102 HydrophobicContact CD1-CD2 4.37Å; L85-I105 HydrophobicContact CD2-CD1 3.83Å; L85-I118 HydrophobicContact CD1-CG2 3.97Å; L85-I118 HydrophobicContact CG-CG2 3.96Å; L85-M119 PolarHBondContact N-O 2.9Å; L85-I120 HydrophobicContact CB-CD1 3.82Å; L85-I120 HydrophobicContact CD1-CD1 3.77Å; L85-I120 HydrophobicContact CG-CD1 4.11Å; L85-V121 PolarHBondContact O-N 3.39Å |
| 86 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131 | -169.9 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | I12 Y13 G14 V18 K20 I23 I84 V121 N123 | I12-V86 HydrophobicContact CG2-CG2 3.62Å; Y13-V86 PolarHBondContact O-N 2.86Å; G14-V86 VanDerWaalsContact CA-O 3.31Å; G14-V86 WeakPolarHBondContact CA-O 3.41Å; V18-V86 HydrophobicContact CB-CG1 4.22Å; V18-V86 HydrophobicContact CG2-CB 3.93Å; V18-V86 HydrophobicContact CG2-CG1 3.79Å; K20-V86 HydrophobicContact CG-CB 4.3Å; K20-V86 HydrophobicContact CG-CG2 4.35Å; I23-V86 HydrophobicContact CD1-CG1 3.81Å; I23-V86 HydrophobicContact CD1-CG2 4.09Å; I84-V86 HydrophobicContact CG2-CG2 3.77Å; V86-V121 WeakPolarHBondContact CA-O 3.48Å; V86-V121 HydrophobicContact CG1-CB 4.48Å; V86-V121 HydrophobicContact CG2-CB 4.25Å; V86-N123 HydrophobicContact CG1-CB 3.87Å |
| 87 | Y | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 161.2 | 164.3 | 74.9 | -79.7 | 0 | 0 | 0 | 109.7 | V89 F95 L98 I120 V121 N123 I133 A138 Y149 | Y87-V89 HydrophobicContact CE2-CG1 4.12Å; Y87-F95 AromaticContact CD1-CD2 3.8Å; Y87-F95 HydrophobicContact CD1-CD2 3.8Å; Y87-F95 HydrophobicContact CD1-CE2 4.48Å; Y87-F95 HydrophobicContact CD2-CB 3.83Å; Y87-F95 AromaticContact CD2-CD2 3.84Å; Y87-F95 HydrophobicContact CD2-CD2 3.84Å; Y87-F95 HydrophobicContact CD2-CG 4.26Å; Y87-F95 AromaticContact CE1-CD2 3.86Å; Y87-F95 HydrophobicContact CE1-CD2 3.86Å; Y87-F95 HydrophobicContact CE1-CE2 4.2Å; Y87-F95 HydrophobicContact CE2-CB 4.47Å; Y87-F95 AromaticContact CE2-CD2 3.93Å; Y87-F95 HydrophobicContact CE2-CD2 3.93Å; Y87-F95 HydrophobicContact CG-CB 4.08Å; Y87-F95 AromaticContact CG-CD2 3.8Å; Y87-F95 HydrophobicContact CG-CD2 3.8Å; Y87-F95 HydrophobicContact CG-CG 4.44Å; Y87-F95 AromaticContact CZ-CD2 3.95Å; Y87-L98 HydrophobicContact CD1-CD1 3.85Å; Y87-L98 HydrophobicContact CG-CD1 4.34Å; Y87-I120 HydrophobicContact CD1-CG2 4.39Å; Y87-I120 HydrophobicContact CE1-CG2 4.19Å; Y87-V121 WeakPolarHBondContact CD1-O 3.41Å; Y87-V121 PolarHBondContact N-O 3.33Å; Y87-N123 PolarHBondContact O-N 2.93Å; Y87-I133 HydrophobicContact CD2-CD1 4.08Å; Y87-I133 HydrophobicContact CD2-CG1 4.4Å; Y87-I133 HydrophobicContact CE2-CB 3.93Å; Y87-I133 HydrophobicContact CE2-CD1 4.06Å; Y87-I133 HydrophobicContact CE2-CG1 4.11Å; Y87-I133 HydrophobicContact CE2-CG2 3.97Å; Y87-A138 HydrophobicContact CE1-CB 4.02Å; Y87-A138 WeakPolarHBondContact OH-CB 3.4Å; Y87-Y149 HydrophobicContact CE1-CE2 4.4Å |
| 88 | A | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V18 T90 N91 S94 N123 K124 I133 | V18-A88 HydrophobicContact CB-CB 4.38Å; V18-A88 HydrophobicContact CG1-CB 4.38Å; A88-T90 PolarHBondContact O-N 3.09Å; A88-N91 HydrophobicContact CB-CB 4.21Å; A88-N91 PolarHBondContact O-N 3.2Å; A88-S94 PolarHBondContact N-OG 2.81Å; A88-S94 VanDerWaalsContact N-OG 3.11Å; A88-N123 WeakPolarHBondContact CA-O 3.22Å; A88-K124 HydrophobicContact CB-CD 4.05Å; A88-K124 HydrophobicContact CB-CG 4.37Å; A88-I133 WeakPolarHBondContact O-CD1 3.16Å |
| 89 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -17.4 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 113.3 | Y87 N123 K124 I125 R131 E132 I133 | Y87-V89 HydrophobicContact CE2-CG1 4.12Å; V89-N123 PolarHBondContact N-O 2.94Å; V89-K124 VanDerWaalsContact CG2-O 3.32Å; V89-K124 WeakPolarHBondContact CG2-O 3.35Å; V89-I125 HydrophobicContact CG1-CG2 4.11Å; V89-R131 HydrophobicContact CB-CG 4.38Å; V89-R131 WeakPolarHBondContact O-CA 3.37Å; V89-E132 PolarHBondContact O-N 3.13Å; V89-I133 VanDerWaalsContact O-CD1 3.22Å; V89-I133 WeakPolarHBondContact O-CD1 3.34Å; V89-I133 PolarHBondContact O-N 2.87Å |
| 90 | T | 98.4 | Very high | 97.2 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 13% | 0.129 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 6.3 | 178 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | A88 E127 Q130 | A88-T90 PolarHBondContact O-N 3.09Å; T90-E127 HydrophobicContact CG2-CB 3.53Å; T90-E127 WeakPolarHBondContact CG2-OE2 3.38Å; T90-E127 PolarHBondContact OG1-OE2 3.46Å; T90-E127 VanDerWaalsContact OG1-OE2 3.08Å; T90-Q130 WeakPolarHBondContact CA-O 3.46Å; T90-Q130 HydrophobicContact CG2-CB 3.67Å; T90-Q130 WeakPolarHBondContact CG2-O 3.45Å |
| 91 | N | 97.9 | Very high | 97.2 | Very high | 64 Ų | 64 | 35.1 Ų | 35.1 | 34% | 0.342 | 16% | 0.16 | S | C | . | . | trans | -141.3 | 97.9 | -177.2 | -177.7 | -28.8 | 0 | 0 | 0 | 111.7 | A88 Q93 S94 F95 | A88-N91 HydrophobicContact CB-CB 4.21Å; A88-N91 PolarHBondContact O-N 3.2Å; N91-Q93 VanDerWaalsContact C-N 3.31Å; N91-Q93 PolarHBondContact O-N 3.24Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.41Å; N91-Q93 PolarHBondContact OD1-N 2.86Å; N91-Q93 VanDerWaalsContact OD1-N 3.08Å; N91-S94 PolarHBondContact O-N 2.84Å; N91-S94 VanDerWaalsContact O-N 3.16Å; N91-S94 PolarHBondContact O-OG 2.92Å; N91-S94 PolarHBondContact OD1-N 3.32Å; N91-F95 PolarHBondContact O-N 3.09Å | ||
| 92 | R | 98 | Very high | 97.2 | Very high | 117 Ų | 117 | 34.4 Ų | 34.4 | 44% | 0.442 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.8 | -39.2 | 178.9 | 178.4 | 166.7 | -72.3 | -93.8 | -3.3 | 113 | S94 F95 E96 E132 | R92-S94 VanDerWaalsContact C-N 3.28Å; R92-S94 PolarHBondContact O-N 2.96Å; R92-F95 WeakPolarHBondContact O-CB 3.4Å; R92-F95 PolarHBondContact O-N 2.98Å; R92-F95 VanDerWaalsContact O-N 3.11Å; R92-E96 HydrophobicContact CG-CG 4.46Å; R92-E96 WeakPolarHBondContact O-CG 3.36Å; R92-E96 PolarHBondContact O-N 2.57Å; R92-E132 HydrophobicContact CB-CB 4.35Å; R92-E132 VanDerWaalsContact CB-OE2 3.27Å; R92-E132 WeakPolarHBondContact CB-OE2 3.07Å; R92-E132 PolarHBondContact N-OE2 3.3Å; R92-E132 PolarHBondContact NH2-O 3.36Å |
| 93 | Q | 97.1 | Very high | 97.1 | Very high | 137 Ų | 137 | 38.5 Ų | 38.5 | 64% | 0.64 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -62 | -38.1 | 179.2 | -175.9 | 63.2 | 8.9 | 0 | 0 | 111.7 | N91 F95 E96 E97 | N91-Q93 VanDerWaalsContact C-N 3.31Å; N91-Q93 PolarHBondContact O-N 3.24Å; N91-Q93 WeakPolarHBondContact OD1-CB 3.41Å; N91-Q93 PolarHBondContact OD1-N 2.86Å; N91-Q93 VanDerWaalsContact OD1-N 3.08Å; Q93-F95 VanDerWaalsContact C-N 3.27Å; Q93-F95 PolarHBondContact O-N 2.9Å; Q93-E96 PolarHBondContact O-N 3.47Å; Q93-E97 PolarHBondContact O-N 3.05Å |
| 94 | S | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -30.6 | 176.8 | 77.1 | 0 | 0 | 0 | 0 | 113.2 | A88 N91 R92 | A88-S94 PolarHBondContact N-OG 2.81Å; A88-S94 VanDerWaalsContact N-OG 3.11Å; N91-S94 PolarHBondContact O-N 2.84Å; N91-S94 VanDerWaalsContact O-N 3.16Å; N91-S94 PolarHBondContact O-OG 2.92Å; N91-S94 PolarHBondContact OD1-N 3.32Å; R92-S94 VanDerWaalsContact C-N 3.28Å; R92-S94 PolarHBondContact O-N 2.96Å |
| 95 | F | 98.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.6 | -41.1 | 173.5 | -179.9 | -106.2 | 0 | 0 | 0 | 111.6 | Y87 N91 R92 Q93 E97 L98 I133 A138 L141 | Y87-F95 AromaticContact CD1-CD2 3.8Å; Y87-F95 HydrophobicContact CD1-CD2 3.8Å; Y87-F95 HydrophobicContact CD1-CE2 4.48Å; Y87-F95 HydrophobicContact CD2-CB 3.83Å; Y87-F95 AromaticContact CD2-CD2 3.84Å; Y87-F95 HydrophobicContact CD2-CD2 3.84Å; Y87-F95 HydrophobicContact CD2-CG 4.26Å; Y87-F95 AromaticContact CE1-CD2 3.86Å; Y87-F95 HydrophobicContact CE1-CD2 3.86Å; Y87-F95 HydrophobicContact CE1-CE2 4.2Å; Y87-F95 HydrophobicContact CE2-CB 4.47Å; Y87-F95 AromaticContact CE2-CD2 3.93Å; Y87-F95 HydrophobicContact CE2-CD2 3.93Å; Y87-F95 HydrophobicContact CG-CB 4.08Å; Y87-F95 AromaticContact CG-CD2 3.8Å; Y87-F95 HydrophobicContact CG-CD2 3.8Å; Y87-F95 HydrophobicContact CG-CG 4.44Å; Y87-F95 AromaticContact CZ-CD2 3.95Å; N91-F95 PolarHBondContact O-N 3.09Å; R92-F95 WeakPolarHBondContact O-CB 3.4Å; R92-F95 PolarHBondContact O-N 2.98Å; R92-F95 VanDerWaalsContact O-N 3.11Å; Q93-F95 VanDerWaalsContact C-N 3.27Å; Q93-F95 PolarHBondContact O-N 2.9Å; F95-E97 VanDerWaalsContact C-N 3.32Å; F95-E97 PolarHBondContact O-N 3.45Å; F95-L98 HydrophobicContact CD2-CD1 4.21Å; F95-L98 WeakPolarHBondContact O-CB 3.24Å; F95-L98 WeakPolarHBondContact O-CG 3.34Å; F95-L98 PolarHBondContact O-N 3.36Å; F95-I133 HydrophobicContact CB-CD1 4.32Å; F95-I133 HydrophobicContact CB-CG1 3.95Å; F95-I133 HydrophobicContact CD1-CG1 4.49Å; F95-I133 HydrophobicContact CD1-CG2 4.36Å; F95-I133 HydrophobicContact CD2-CG2 4.27Å; F95-I133 HydrophobicContact CE1-CG2 4.47Å; F95-I133 HydrophobicContact CE2-CG2 4.4Å; F95-I133 HydrophobicContact CG-CG1 4.18Å; F95-I133 HydrophobicContact CG-CG2 4.24Å; F95-I133 HydrophobicContact CZ-CG2 4.49Å; F95-A138 HydrophobicContact CE2-CB 3.69Å; F95-A138 HydrophobicContact CZ-CB 4.22Å; F95-L141 HydrophobicContact CE1-CD2 4.36Å; F95-L141 HydrophobicContact CE2-CD2 3.68Å; F95-L141 HydrophobicContact CZ-CB 4.07Å; F95-L141 HydrophobicContact CZ-CD2 3.57Å; F95-L141 HydrophobicContact CZ-CG 4.41Å |
| 96 | E | 97.1 | Very high | 96.6 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -38.1 | 176.7 | -66.7 | -58.8 | 123.8 | 0 | 0 | 112.4 | R92 Q93 L98 R99 | R92-E96 HydrophobicContact CG-CG 4.46Å; R92-E96 WeakPolarHBondContact O-CG 3.36Å; R92-E96 PolarHBondContact O-N 2.57Å; Q93-E96 PolarHBondContact O-N 3.47Å; E96-L98 PolarHBondContact O-N 3.17Å; E96-R99 PolarHBondContact O-N 2.86Å; E96-R99 IonicContact OE1-CZ 3.68Å; E96-R99 IonicContact OE1-NH1 2.93Å; E96-R99 PolarHBondContact OE1-NH1 2.99Å; E96-R99 IonicContact OE1-NH2 3.8Å; E96-R99 IonicContact OE2-CZ 3.35Å; E96-R99 IonicContact OE2-NH1 2.69Å; E96-R99 PolarHBondContact OE2-NH1 3.41Å; E96-R99 IonicContact OE2-NH2 2.75Å |
| 97 | E | 95.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 20% | 0.201 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -24.2 | 178 | -167.8 | 173.8 | 166.5 | 0 | 0 | 113.4 | A15 Q93 F95 R99 H100 I101 | A15-E97 WeakPolarHBondContact CB-OE2 3.37Å; Q93-E97 PolarHBondContact O-N 3.05Å; F95-E97 VanDerWaalsContact C-N 3.32Å; F95-E97 PolarHBondContact O-N 3.45Å; E97-R99 PolarHBondContact O-N 3.16Å; E97-R99 VanDerWaalsContact O-N 3.15Å; E97-H100 PolarHBondContact O-N 2.96Å; E97-H100 VanDerWaalsContact O-N 3.1Å; E97-I101 HydrophobicContact CG-CD1 4.35Å; E97-I101 PolarHBondContact O-N 2.83Å |
| 98 | L | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -31.1 | 177.4 | -59.1 | -168.8 | 0 | 0 | 0 | 112.4 | L85 Y87 F95 E96 H100 I101 Y102 I120 W145 | L85-L98 HydrophobicContact CB-CD2 4.15Å; Y87-L98 HydrophobicContact CD1-CD1 3.85Å; Y87-L98 HydrophobicContact CG-CD1 4.34Å; F95-L98 HydrophobicContact CD2-CD1 4.21Å; F95-L98 WeakPolarHBondContact O-CB 3.24Å; F95-L98 WeakPolarHBondContact O-CG 3.34Å; F95-L98 PolarHBondContact O-N 3.36Å; E96-L98 PolarHBondContact O-N 3.17Å; L98-H100 VanDerWaalsContact C-N 3.35Å; L98-H100 PolarHBondContact O-N 2.89Å; L98-I101 HydrophobicContact CD2-CD1 4.36Å; L98-I101 PolarHBondContact O-N 3.01Å; L98-Y102 VanDerWaalsContact O-CB 3.3Å; L98-Y102 WeakPolarHBondContact O-CB 3.31Å; L98-Y102 PolarHBondContact O-N 3.17Å; L98-I120 HydrophobicContact CD1-CG2 3.99Å; L98-W145 HydrophobicContact CB-CH2 4.22Å; L98-W145 HydrophobicContact CB-CZ3 4.31Å |
| 99 | R | 96.5 | Very high | 95.9 | Very high | 93 Ų | 93 | 52.7 Ų | 52.7 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -42.6 | 178.6 | -61.1 | -173.3 | 174.6 | 75.4 | -11.8 | 111.3 | E96 E97 Y102 E103 W145 | E96-R99 PolarHBondContact O-N 2.86Å; E96-R99 IonicContact OE1-CZ 3.68Å; E96-R99 IonicContact OE1-NH1 2.93Å; E96-R99 PolarHBondContact OE1-NH1 2.99Å; E96-R99 IonicContact OE1-NH2 3.8Å; E96-R99 IonicContact OE2-CZ 3.35Å; E96-R99 IonicContact OE2-NH1 2.69Å; E96-R99 PolarHBondContact OE2-NH1 3.41Å; E96-R99 IonicContact OE2-NH2 2.75Å; E97-R99 PolarHBondContact O-N 3.16Å; E97-R99 VanDerWaalsContact O-N 3.15Å; R99-Y102 PolarHBondContact O-N 2.87Å; R99-E103 WeakPolarHBondContact O-CG 3.48Å; R99-E103 PolarHBondContact O-N 2.99Å; R99-W145 HydrophobicContact CB-CH2 4.37Å; R99-W145 HydrophobicContact CB-CZ2 4.25Å; R99-W145 HydrophobicContact CG-CH2 4.01Å; R99-W145 HydrophobicContact CG-CZ2 3.85Å |
| 100 | H | 94.3 | Very high | 95.2 | Very high | 146 Ų | 146 | 59.6 Ų | 59.6 | 68% | 0.676 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.9 | -40.6 | 178.1 | -61.4 | -57.7 | 0 | 0 | 0 | 111.8 | E97 L98 F104 | E97-H100 PolarHBondContact O-N 2.96Å; E97-H100 VanDerWaalsContact O-N 3.1Å; L98-H100 VanDerWaalsContact C-N 3.35Å; L98-H100 PolarHBondContact O-N 2.89Å; H100-F104 WeakPolarHBondContact O-CB 3.24Å; H100-F104 PolarHBondContact O-N 3.42Å |
| 101 | I | 94.3 | Very high | 94.5 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 177.7 | -61.7 | 166.4 | 0 | 0 | 0 | 110.6 | Y13 L85 E97 L98 F104 I105 | Y13-I101 HydrophobicContact CD2-CG2 4.43Å; Y13-I101 HydrophobicContact CG-CG2 4.08Å; L85-I101 HydrophobicContact CD2-CG2 3.75Å; E97-I101 HydrophobicContact CG-CD1 4.35Å; E97-I101 PolarHBondContact O-N 2.83Å; L98-I101 HydrophobicContact CD2-CD1 4.36Å; L98-I101 PolarHBondContact O-N 3.01Å; I101-F104 WeakPolarHBondContact O-CB 3.22Å; I101-F104 PolarHBondContact O-N 3.48Å; I101-I105 HydrophobicContact CG2-CD1 4.1Å; I101-I105 WeakPolarHBondContact O-CG1 3.36Å; I101-I105 PolarHBondContact O-N 3.39Å |
| 102 | Y | 95.8 | Very high | 94 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 178.9 | -179.1 | -96.2 | 0 | 0 | 0 | 112 | L85 L98 R99 F104 I105 K106 I113 I118 W145 | L85-Y102 HydrophobicContact CD1-CD2 4.37Å; L98-Y102 VanDerWaalsContact O-CB 3.3Å; L98-Y102 WeakPolarHBondContact O-CB 3.31Å; L98-Y102 PolarHBondContact O-N 3.17Å; R99-Y102 PolarHBondContact O-N 2.87Å; Y102-F104 VanDerWaalsContact C-N 3.29Å; Y102-F104 PolarHBondContact O-N 3.34Å; Y102-I105 PolarHBondContact O-N 3.27Å; Y102-K106 HydrophobicContact CE1-CD 4.5Å; Y102-K106 WeakPolarHBondContact O-CB 3.42Å; Y102-K106 PolarHBondContact O-N 3.11Å; Y102-I113 HydrophobicContact CD2-CD1 4.12Å; Y102-I113 HydrophobicContact CE1-CD1 4Å; Y102-I113 HydrophobicContact CE2-CD1 3.47Å; Y102-I113 VanDerWaalsContact CE2-CD1 3.47Å; Y102-I113 HydrophobicContact CE2-CG1 4.07Å; Y102-I118 HydrophobicContact CD2-CD1 4.37Å; Y102-I118 HydrophobicContact CE2-CD1 4.05Å; Y102-W145 AromaticContact CD1-CD2 3.92Å; Y102-W145 HydrophobicContact CD1-CD2 3.92Å; Y102-W145 AromaticContact CD1-CE2 3.75Å; Y102-W145 HydrophobicContact CD1-CE3 4.35Å; Y102-W145 HydrophobicContact CD1-CG 4.26Å; Y102-W145 HydrophobicContact CD1-CH2 4.49Å; Y102-W145 HydrophobicContact CD1-CZ2 4.03Å; Y102-W145 AromaticContact CD2-CD2 3.89Å; Y102-W145 HydrophobicContact CD2-CD2 3.89Å; Y102-W145 AromaticContact CD2-CE3 3.65Å; Y102-W145 HydrophobicContact CD2-CE3 3.65Å; Y102-W145 HydrophobicContact CD2-CG 4.32Å; Y102-W145 HydrophobicContact CD2-CZ3 4.1Å; Y102-W145 HydrophobicContact CE1-CB 4.43Å; Y102-W145 AromaticContact CE1-CD1 3.85Å; Y102-W145 HydrophobicContact CE1-CD2 4.04Å; Y102-W145 AromaticContact CE1-CG 3.89Å; Y102-W145 HydrophobicContact CE1-CG 3.89Å; Y102-W145 AromaticContact CE1-NE1 3.96Å; Y102-W145 HydrophobicContact CE2-CB 3.84Å; Y102-W145 HydrophobicContact CE2-CD2 4.02Å; Y102-W145 HydrophobicContact CE2-CE3 4.1Å; Y102-W145 AromaticContact CE2-CG 3.96Å; Y102-W145 HydrophobicContact CE2-CG 3.96Å; Y102-W145 AromaticContact CG-CD2 3.84Å; Y102-W145 HydrophobicContact CG-CD2 3.84Å; Y102-W145 AromaticContact CG-CE2 3.97Å; Y102-W145 AromaticContact CG-CE3 3.79Å; Y102-W145 HydrophobicContact CG-CE3 3.79Å; Y102-W145 HydrophobicContact CG-CG 4.47Å; Y102-W145 HydrophobicContact CG-CH2 4.07Å; Y102-W145 HydrophobicContact CG-CZ2 4.07Å; Y102-W145 AromaticContact CG-CZ3 3.93Å; Y102-W145 HydrophobicContact CG-CZ3 3.93Å; Y102-W145 AromaticContact CZ-CG 3.72Å; Y102-W145 PolarHBondContact OH-O 2.93Å |
| 103 | E | 94.6 | Very high | 93.6 | Very high | 87 Ų | 87 | 60 Ų | 60 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -34.1 | 176.8 | -71.4 | -56.8 | 140.4 | 0 | 0 | 112.4 | R99 K106 T107 | R99-E103 WeakPolarHBondContact O-CG 3.48Å; R99-E103 PolarHBondContact O-N 2.99Å; E103-K106 PolarHBondContact O-N 3.33Å; E103-K106 IonicContact OE1-NZ 3.79Å; E103-K106 IonicContact OE2-NZ 3.03Å; E103-T107 WeakPolarHBondContact O-CB 3.35Å; E103-T107 PolarHBondContact O-N 3.44Å; E103-T107 PolarHBondContact O-OG1 2.9Å |
| 104 | F | 93.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 21% | 0.211 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 172.5 | 177.6 | -102.7 | 0 | 0 | 0 | 111.6 | Q73 R74 V77 H100 I101 Y102 K106 T107 V108 | Q73-F104 HydrophobicContact CB-CE1 4.26Å; Q73-F104 HydrophobicContact CB-CZ 4.3Å; Q73-F104 HydrophobicContact CG-CD1 4.38Å; Q73-F104 HydrophobicContact CG-CE1 3.62Å; Q73-F104 HydrophobicContact CG-CZ 4.12Å; R74-F104 HydrophobicContact CB-CZ 4.2Å; V77-F104 HydrophobicContact CB-CE1 4.39Å; V77-F104 HydrophobicContact CG2-CD1 4.14Å; V77-F104 HydrophobicContact CG2-CE1 3.76Å; H100-F104 WeakPolarHBondContact O-CB 3.24Å; H100-F104 PolarHBondContact O-N 3.42Å; I101-F104 WeakPolarHBondContact O-CB 3.22Å; I101-F104 PolarHBondContact O-N 3.48Å; Y102-F104 VanDerWaalsContact C-N 3.29Å; Y102-F104 PolarHBondContact O-N 3.34Å; F104-K106 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 3.07Å; F104-T107 PolarHBondContact O-N 2.85Å; F104-V108 HydrophobicContact CD1-CG2 4.42Å; F104-V108 HydrophobicContact CD2-CG2 4.26Å; F104-V108 HydrophobicContact CE1-CG2 3.98Å; F104-V108 HydrophobicContact CE2-CG2 3.83Å; F104-V108 HydrophobicContact CZ-CG2 3.68Å; F104-V108 WeakPolarHBondContact O-CG2 3.29Å; F104-V108 PolarHBondContact O-N 3.27Å; F104-V108 VanDerWaalsContact O-N 3.09Å |
| 105 | I | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.7 | -50 | 176.3 | -69.1 | 166.7 | 0 | 0 | 0 | 110.1 | Y13 V77 F83 L85 I101 Y102 T107 V108 R109 L116 | Y13-I105 HydrophobicContact CD2-CD1 4.44Å; V77-I105 HydrophobicContact CG1-CB 4.33Å; V77-I105 HydrophobicContact CG1-CG1 4.19Å; V77-I105 HydrophobicContact CG1-CG2 4.23Å; V77-I105 HydrophobicContact CG2-CG1 4.1Å; F83-I105 HydrophobicContact CB-CD1 4.16Å; F83-I105 HydrophobicContact CD1-CD1 4.02Å; F83-I105 HydrophobicContact CD2-CG2 4.3Å; F83-I105 HydrophobicContact CE2-CG2 4.32Å; F83-I105 HydrophobicContact CG-CD1 3.97Å; L85-I105 HydrophobicContact CD2-CD1 3.83Å; I101-I105 HydrophobicContact CG2-CD1 4.1Å; I101-I105 WeakPolarHBondContact O-CG1 3.36Å; I101-I105 PolarHBondContact O-N 3.39Å; Y102-I105 PolarHBondContact O-N 3.27Å; I105-T107 PolarHBondContact O-N 3.19Å; I105-V108 PolarHBondContact O-N 3.19Å; I105-V108 VanDerWaalsContact O-N 3.12Å; I105-R109 HydrophobicContact CG2-CG 3.88Å; I105-R109 WeakPolarHBondContact O-CB 3.32Å; I105-R109 WeakPolarHBondContact O-CG 3.4Å; I105-R109 PolarHBondContact O-N 3.31Å; I105-L116 HydrophobicContact CG2-CD2 3.94Å |
| 106 | K | 94.4 | Very high | 92.5 | Very high | 103 Ų | 103 | 59.7 Ų | 59.7 | 45% | 0.448 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56 | -37.3 | 178.1 | -168.7 | 178.8 | 170.4 | -167.7 | 0 | 113.1 | Y102 E103 F104 I113 | Y102-K106 HydrophobicContact CE1-CD 4.5Å; Y102-K106 WeakPolarHBondContact O-CB 3.42Å; Y102-K106 PolarHBondContact O-N 3.11Å; E103-K106 PolarHBondContact O-N 3.33Å; E103-K106 IonicContact OE1-NZ 3.79Å; E103-K106 IonicContact OE2-NZ 3.03Å; F104-K106 VanDerWaalsContact C-N 3.34Å; F104-K106 PolarHBondContact O-N 3.07Å; K106-I113 HydrophobicContact CB-CD1 3.6Å; K106-I113 HydrophobicContact CD-CD1 4.45Å; K106-I113 HydrophobicContact CG-CD1 3.96Å |
| 107 | T | 93.7 | Very high | 92.5 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 62% | 0.62 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -73.9 | -32.8 | 179.6 | -59 | 0 | 0 | 0 | 0 | 112.8 | E103 F104 I105 | E103-T107 WeakPolarHBondContact O-CB 3.35Å; E103-T107 PolarHBondContact O-N 3.44Å; E103-T107 PolarHBondContact O-OG1 2.9Å; F104-T107 PolarHBondContact O-N 2.85Å; I105-T107 PolarHBondContact O-N 3.19Å |
| 108 | V | 93.9 | Very high | 92.6 | Very high | 17 Ų | 17 | 54.7 Ų | 54.7 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -85.9 | -32.3 | -176.9 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | R74 V77 F104 I105 | R74-V108 HydrophobicContact CG-CG1 3.96Å; R74-V108 HydrophobicContact CG-CG2 4.13Å; V77-V108 HydrophobicContact CB-CB 4.27Å; V77-V108 HydrophobicContact CB-CG1 3.91Å; V77-V108 HydrophobicContact CG1-CB 3.64Å; V77-V108 HydrophobicContact CG1-CG1 3.63Å; V77-V108 HydrophobicContact CG1-CG2 4.4Å; F104-V108 HydrophobicContact CD1-CG2 4.42Å; F104-V108 HydrophobicContact CD2-CG2 4.26Å; F104-V108 HydrophobicContact CE1-CG2 3.98Å; F104-V108 HydrophobicContact CE2-CG2 3.83Å; F104-V108 HydrophobicContact CZ-CG2 3.68Å; F104-V108 WeakPolarHBondContact O-CG2 3.29Å; F104-V108 PolarHBondContact O-N 3.27Å; F104-V108 VanDerWaalsContact O-N 3.09Å; I105-V108 PolarHBondContact O-N 3.19Å; I105-V108 VanDerWaalsContact O-N 3.12Å |
| 109 | R | 93.4 | Very high | 92.7 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | trans | -79.7 | 134.6 | -178.2 | -62.9 | -63.2 | -59.6 | -168.6 | -2.9 | 110.6 | V77 S78 G80 I105 E111 L116 | V77-R109 HydrophobicContact CG1-CG 4.02Å; V77-R109 VanDerWaalsContact O-CD 3.24Å; V77-R109 WeakPolarHBondContact O-CD 3.48Å; V77-R109 PolarHBondContact O-NH1 3.36Å; S78-R109 PolarHBondContact O-NH1 2.54Å; S78-R109 VanDerWaalsContact O-NH1 3.16Å; G80-R109 PolarHBondContact O-NH1 2.85Å; G80-R109 PolarHBondContact O-NH2 2.85Å; I105-R109 HydrophobicContact CG2-CG 3.88Å; I105-R109 WeakPolarHBondContact O-CB 3.32Å; I105-R109 WeakPolarHBondContact O-CG 3.4Å; I105-R109 PolarHBondContact O-N 3.31Å; R109-E111 IonicContact CZ-OE2 3.23Å; R109-E111 IonicContact NH2-OE2 2.75Å; R109-E111 PolarHBondContact NH2-OE2 3.47Å; R109-L116 HydrophobicContact CG-CD2 3.81Å | ||
| 110 | T | 84.6 | Confident | 92.8 | Very high | 144 Ų | 144 | 50.3 Ų | 50.3 | 88% | 0.883 | 26% | 0.259 | S | S | * | . | trans | -89 | -18.8 | 176.4 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 111 | E | 83.5 | Confident | 93 | Very high | 80 Ų | 80 | 43.4 Ų | 43.4 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -79.3 | 158.6 | 176.3 | -61.6 | 169.2 | 156.4 | 0 | 0 | 110.1 | R109 I113 R173 | R109-E111 IonicContact CZ-OE2 3.23Å; R109-E111 IonicContact NH2-OE2 2.75Å; R109-E111 PolarHBondContact NH2-OE2 3.47Å; E111-I113 PolarHBondContact O-N 3.2Å; E111-R173 IonicContact OE1-NH1 3.81Å; E111-R173 PolarHBondContact OE1-NH1 3.25Å; E111-R173 IonicContact OE2-NH1 2.88Å |
| 112 | D | 87.1 | Confident | 93.2 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | trans | -58.4 | 125.9 | 168.4 | -171.9 | -16.6 | 0 | 0 | 0 | 109.1 | A114 E115 | D112-A114 PolarHBondContact O-N 3.33Å; D112-A114 VanDerWaalsContact O-N 3.13Å; D112-A114 WeakPolarHBondContact OD1-CB 3.22Å; D112-A114 PolarHBondContact OD1-N 3.09Å; D112-E115 HydrophobicContact CB-CG 4.4Å; D112-E115 PolarHBondContact O-N 3.11Å | ||
| 113 | I | 89.2 | Confident | 93.4 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -58.2 | -26.4 | 178.9 | -166 | 155.8 | 0 | 0 | 0 | 111.9 | Y102 K106 E111 E115 L116 I118 | Y102-I113 HydrophobicContact CD2-CD1 4.12Å; Y102-I113 HydrophobicContact CE1-CD1 4Å; Y102-I113 HydrophobicContact CE2-CD1 3.47Å; Y102-I113 VanDerWaalsContact CE2-CD1 3.47Å; Y102-I113 HydrophobicContact CE2-CG1 4.07Å; K106-I113 HydrophobicContact CB-CD1 3.6Å; K106-I113 HydrophobicContact CD-CD1 4.45Å; K106-I113 HydrophobicContact CG-CD1 3.96Å; E111-I113 PolarHBondContact O-N 3.2Å; I113-E115 PolarHBondContact O-N 3.16Å; I113-L116 WeakPolarHBondContact O-CB 3.49Å; I113-L116 PolarHBondContact O-N 3.32Å; I113-L116 VanDerWaalsContact O-N 3.16Å; I113-I118 HydrophobicContact CD1-CD1 4.17Å; I113-I118 HydrophobicContact CG1-CD1 3.87Å |
| 114 | A | 86.7 | Confident | 93.5 | Very high | 29 Ų | 29 | 40.6 Ų | 40.6 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -68.5 | -17.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | D112 K146 | D112-A114 PolarHBondContact O-N 3.33Å; D112-A114 VanDerWaalsContact O-N 3.13Å; D112-A114 WeakPolarHBondContact OD1-CB 3.22Å; D112-A114 PolarHBondContact OD1-N 3.09Å; A114-K146 HydrophobicContact CB-CD 4.15Å |
| 115 | E | 88.3 | Confident | 93.8 | Very high | 99 Ų | 99 | 39.9 Ų | 39.9 | 46% | 0.463 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -92.6 | -4.9 | 174.8 | -65.9 | -61 | 151.2 | 0 | 0 | 112.7 | D112 I113 R172 | D112-E115 HydrophobicContact CB-CG 4.4Å; D112-E115 PolarHBondContact O-N 3.11Å; I113-E115 PolarHBondContact O-N 3.16Å; E115-R172 VanDerWaalsContact CD-NH1 3.27Å; E115-R172 IonicContact OE1-NH1 2.93Å; E115-R172 PolarHBondContact OE1-NH1 3.43Å; E115-R172 WeakPolarHBondContact OE2-CD 3.28Å; E115-R172 IonicContact OE2-CZ 3.68Å; E115-R172 IonicContact OE2-NE 3.98Å; E115-R172 IonicContact OE2-NH1 3.76Å; E115-R172 PolarHBondContact OE2-NH1 3.08Å |
| 116 | L | 94.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.052 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -95.5 | 122.6 | -176.2 | -169 | 61.9 | 0 | 0 | 0 | 110.1 | N81 F83 I105 R109 I113 I118 | N81-L116 WeakPolarHBondContact O-CD1 3.38Å; F83-L116 HydrophobicContact CD2-CD1 4.29Å; F83-L116 HydrophobicContact CD2-CD2 3.7Å; F83-L116 HydrophobicContact CD2-CG 3.91Å; F83-L116 HydrophobicContact CE2-CD1 3.94Å; F83-L116 HydrophobicContact CE2-CD2 3.56Å; F83-L116 HydrophobicContact CE2-CG 3.95Å; I105-L116 HydrophobicContact CG2-CD2 3.94Å; R109-L116 HydrophobicContact CG-CD2 3.81Å; I113-L116 WeakPolarHBondContact O-CB 3.49Å; I113-L116 PolarHBondContact O-N 3.32Å; I113-L116 VanDerWaalsContact O-N 3.16Å; L116-I118 HydrophobicContact CD2-CD1 4.23Å; L116-I118 HydrophobicContact CD2-CG1 4.46Å; L116-I118 HydrophobicContact CG-CG1 4.27Å; L116-I118 PolarHBondContact O-N 2.9Å; L116-I118 VanDerWaalsContact O-N 3.09Å |
| 117 | P | 97.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | trans | -62.1 | 114 | 174.2 | -26.6 | 36.9 | 0 | 0 | 0 | 111.5 | A82 F83 L167 M170 D171 | A82-P117 CarbonylContact C-O 3.56Å; A82-P117 VanDerWaalsContact CA-O 3.27Å; A82-P117 WeakPolarHBondContact CA-O 3.46Å; A82-P117 HydrophobicContact CB-CB 3.78Å; A82-P117 HydrophobicContact CB-CG 4.39Å; F83-P117 PolarHBondContact N-O 3.5Å; P117-L167 HydrophobicContact CB-CD1 4.11Å; P117-M170 HydrophobicContact CB-CB 3.88Å; P117-M170 HydrophobicContact CG-CB 4.16Å; P117-D171 HydrophobicContact CG-CB 4.18Å | ||
| 118 | I | 97.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.4 | 176.8 | -57.8 | 176.8 | 0 | 0 | 0 | 108.9 | F83 L85 Y102 I113 L116 C147 G148 | F83-I118 HydrophobicContact CB-CG1 4.27Å; F83-I118 HydrophobicContact CD2-CG1 4.41Å; F83-I118 VanDerWaalsContact O-CA 3.31Å; F83-I118 WeakPolarHBondContact O-CA 3.46Å; L85-I118 HydrophobicContact CD1-CG2 3.97Å; L85-I118 HydrophobicContact CG-CG2 3.96Å; Y102-I118 HydrophobicContact CD2-CD1 4.37Å; Y102-I118 HydrophobicContact CE2-CD1 4.05Å; I113-I118 HydrophobicContact CD1-CD1 4.17Å; I113-I118 HydrophobicContact CG1-CD1 3.87Å; L116-I118 HydrophobicContact CD2-CD1 4.23Å; L116-I118 HydrophobicContact CD2-CG1 4.46Å; L116-I118 HydrophobicContact CG-CG1 4.27Å; L116-I118 PolarHBondContact O-N 2.9Å; L116-I118 VanDerWaalsContact O-N 3.09Å; I118-C147 HydrophobicContact CB-CB 4.29Å; I118-C147 HydrophobicContact CG2-CB 4.26Å; I118-C147 VanDerWaalsContact CG2-SG 3.59Å; I118-C147 WeakPolarHBondContact O-CA 3.42Å; I118-C147 WeakPolarHBondContact O-CB 3.38Å; I118-G148 PolarHBondContact O-N 3.23Å |
| 119 | M | 98.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.9 | 173.6 | -73.4 | -66.9 | -74.7 | 0 | 0 | 110.8 | F83 L85 V121 G148 I150 L163 E166 L167 M170 | F83-M119 PolarHBondContact O-N 2.95Å; L85-M119 PolarHBondContact N-O 2.9Å; M119-V121 HydrophobicContact CB-CG2 4.32Å; M119-G148 WeakPolarHBondContact SD-CA 3.39Å; M119-I150 HydrophobicContact CE-CB 3.88Å; M119-I150 HydrophobicContact CE-CG2 3.63Å; M119-L163 HydrophobicContact CB-CD1 3.92Å; M119-L163 HydrophobicContact CE-CD1 4.09Å; M119-L163 HydrophobicContact CG-CD1 4.14Å; M119-E166 HydrophobicContact CE-CB 4.07Å; M119-E166 WeakPolarHBondContact CE-OE2 3.41Å; M119-L167 HydrophobicContact CB-CD1 4.04Å; M119-L167 HydrophobicContact CG-CB 3.85Å; M119-L167 HydrophobicContact CG-CD1 3.46Å; M119-L167 VanDerWaalsContact CG-CD1 3.46Å; M119-L167 HydrophobicContact CG-CG 4.26Å; M119-M170 HydrophobicContact CG-SD 4.17Å; M119-M170 HydrophobicContact SD-SD 3.7Å |
| 120 | I | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.2 | 166 | -53.9 | -52.9 | 0 | 0 | 0 | 108.4 | L85 Y87 L98 A142 W145 C147 G148 Y149 I150 | L85-I120 HydrophobicContact CB-CD1 3.82Å; L85-I120 HydrophobicContact CD1-CD1 3.77Å; L85-I120 HydrophobicContact CG-CD1 4.11Å; Y87-I120 HydrophobicContact CD1-CG2 4.39Å; Y87-I120 HydrophobicContact CE1-CG2 4.19Å; L98-I120 HydrophobicContact CD1-CG2 3.99Å; I120-A142 HydrophobicContact CB-CB 4.29Å; I120-A142 HydrophobicContact CG1-CB 3.94Å; I120-W145 HydrophobicContact CD1-CE3 3.91Å; I120-W145 HydrophobicContact CD1-CZ3 3.9Å; I120-C147 HydrophobicContact CG1-CB 4.06Å; I120-G148 PolarHBondContact N-O 2.96Å; I120-Y149 HydrophobicContact CB-CD2 4.16Å; I120-Y149 HydrophobicContact CG2-CD2 4.1Å; I120-Y149 WeakPolarHBondContact O-CA 3.29Å; I120-Y149 WeakPolarHBondContact O-CD2 2.93Å; I120-I150 PolarHBondContact O-N 3.36Å; I120-I150 VanDerWaalsContact O-N 3.09Å |
| 121 | V | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.2 | -173.4 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | I23 I84 L85 V86 Y87 M119 N123 I150 T152 L163 | I23-V121 HydrophobicContact CD1-CG1 4.25Å; I84-V121 HydrophobicContact CG2-CB 4.33Å; I84-V121 HydrophobicContact CG2-CG2 3.43Å; I84-V121 VanDerWaalsContact CG2-CG2 3.43Å; L85-V121 PolarHBondContact O-N 3.39Å; V86-V121 WeakPolarHBondContact CA-O 3.48Å; V86-V121 HydrophobicContact CG1-CB 4.48Å; V86-V121 HydrophobicContact CG2-CB 4.25Å; Y87-V121 WeakPolarHBondContact CD1-O 3.41Å; Y87-V121 PolarHBondContact N-O 3.33Å; M119-V121 HydrophobicContact CB-CG2 4.32Å; V121-N123 PolarHBondContact O-N 3.23Å; V121-I150 WeakPolarHBondContact CA-O 3.43Å; V121-I150 HydrophobicContact CG2-CG2 4.12Å; V121-T152 HydrophobicContact CG1-CG2 3.75Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.44Å; V121-L163 HydrophobicContact CG1-CD2 4.29Å; V121-L163 HydrophobicContact CG2-CD1 3.48Å; V121-L163 VanDerWaalsContact CG2-CD1 3.48Å; V121-L163 HydrophobicContact CG2-CD2 3.99Å; V121-L163 HydrophobicContact CG2-CG 4.39Å |
| 122 | G | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 96.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I150 E151 T152 | G122-I150 PolarHBondContact N-O 3.25Å; G122-E151 CarbonylContact O-C 3.59Å; G122-E151 VanDerWaalsContact O-CA 3.24Å; G122-E151 WeakPolarHBondContact O-CA 3.44Å; G122-T152 PolarHBondContact O-N 3.28Å |
| 123 | N | 98.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 163.6 | -178 | -169.6 | 40.9 | 0 | 0 | 0 | 112.3 | V18 I23 V86 Y87 A88 V89 V121 T152 A154 | V18-N123 PolarHBondContact O-ND2 3.02Å; I23-N123 HydrophobicContact CD1-CB 4.13Å; V86-N123 HydrophobicContact CG1-CB 3.87Å; Y87-N123 PolarHBondContact O-N 2.93Å; A88-N123 WeakPolarHBondContact CA-O 3.22Å; V89-N123 PolarHBondContact N-O 2.94Å; V121-N123 PolarHBondContact O-N 3.23Å; N123-T152 CarbonylContact C-O 3.59Å; N123-T152 VanDerWaalsContact CA-O 3.32Å; N123-T152 WeakPolarHBondContact CA-O 3.33Å; N123-T152 PolarHBondContact OD1-O 3.12Å; N123-T152 PolarHBondContact OD1-OG1 3.09Å; N123-A154 PolarHBondContact OD1-N 3.03Å |
| 124 | K | 98.2 | Very high | 96.8 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 22% | 0.222 | 23% | 0.229 | C | C | . | . | trans | 71 | 36.8 | 179.9 | -45.6 | -169.6 | -174.3 | -175.5 | 0 | 114.4 | G17 A88 V89 D126 E127 T152 | G17-K124 WeakPolarHBondContact O-CE 3.27Å; G17-K124 PolarHBondContact O-NZ 3.26Å; A88-K124 HydrophobicContact CB-CD 4.05Å; A88-K124 HydrophobicContact CB-CG 4.37Å; V89-K124 VanDerWaalsContact CG2-O 3.32Å; V89-K124 WeakPolarHBondContact CG2-O 3.35Å; K124-D126 WeakPolarHBondContact CA-OD1 3.22Å; K124-D126 PolarHBondContact O-N 3.37Å; K124-D126 VanDerWaalsContact O-N 3.09Å; K124-E127 HydrophobicContact CB-CG 4.35Å; K124-E127 WeakPolarHBondContact O-CB 3.28Å; K124-E127 PolarHBondContact O-N 2.91Å; K124-T152 PolarHBondContact N-O 3Å | ||
| 125 | I | 98.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 42.3 Ų | 42.3 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -63.4 | -12.2 | 173.4 | 64.1 | -179.5 | 0 | 0 | 0 | 114 | V89 E127 E128 E151 T152 I158 | V89-I125 HydrophobicContact CG1-CG2 4.11Å; I125-E127 PolarHBondContact O-N 3.45Å; I125-E128 PolarHBondContact O-N 3.4Å; I125-E151 HydrophobicContact CD1-CB 4.41Å; I125-E151 HydrophobicContact CG2-CB 3.66Å; I125-E151 HydrophobicContact CG2-CG 4.27Å; I125-T152 PolarHBondContact N-O 2.94Å; I125-I158 HydrophobicContact CD1-CB 4.42Å; I125-I158 HydrophobicContact CD1-CD1 4.48Å; I125-I158 HydrophobicContact CD1-CG2 3.94Å |
| 126 | D | 98.2 | Very high | 97.7 | Very high | 51 Ų | 51 | 43 Ų | 43 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -66.7 | -16.4 | 168.1 | 55.3 | -75.2 | 0 | 0 | 0 | 113.4 | K124 S153 K155 N156 | K124-D126 WeakPolarHBondContact CA-OD1 3.22Å; K124-D126 PolarHBondContact O-N 3.37Å; K124-D126 VanDerWaalsContact O-N 3.09Å; D126-S153 VanDerWaalsContact CG-OG 3.27Å; D126-S153 VanDerWaalsContact OD1-CB 3.29Å; D126-S153 WeakPolarHBondContact OD1-CB 3.42Å; D126-S153 PolarHBondContact OD1-OG 3.12Å; D126-K155 WeakPolarHBondContact OD2-CD 3.11Å; D126-N156 WeakPolarHBondContact CB-ND2 3.38Å |
| 127 | E | 97.2 | Very high | 97.8 | Very high | 63 Ų | 63 | 45 Ų | 45 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -98 | 34.3 | 175.4 | -58.7 | 175.2 | -173.6 | 0 | 0 | 112.1 | T90 K124 I125 G129 Q130 | T90-E127 HydrophobicContact CG2-CB 3.53Å; T90-E127 WeakPolarHBondContact CG2-OE2 3.38Å; T90-E127 PolarHBondContact OG1-OE2 3.46Å; T90-E127 VanDerWaalsContact OG1-OE2 3.08Å; K124-E127 HydrophobicContact CB-CG 4.35Å; K124-E127 WeakPolarHBondContact O-CB 3.28Å; K124-E127 PolarHBondContact O-N 2.91Å; I125-E127 PolarHBondContact O-N 3.45Å; E127-G129 PolarHBondContact O-N 3.02Å; E127-Q130 PolarHBondContact O-N 3.35Å |
| 128 | E | 95.7 | Very high | 97.8 | Very high | 103 Ų | 103 | 45 Ų | 45 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -52.4 | -34.7 | -173.8 | -170.2 | 60.8 | -152.2 | 0 | 0 | 114 | I125 Q130 R131 | I125-E128 PolarHBondContact O-N 3.4Å; E128-Q130 PolarHBondContact O-N 2.73Å; E128-Q130 VanDerWaalsContact O-N 3.12Å; E128-R131 WeakPolarHBondContact O-CB 3.37Å; E128-R131 PolarHBondContact O-N 2.93Å; E128-R131 VanDerWaalsContact O-N 3.13Å; E128-R131 WeakPolarHBondContact OE1-CD 3.46Å; E128-R131 IonicContact OE1-CZ 3.84Å; E128-R131 IonicContact OE1-NE 3.02Å; E128-R131 PolarHBondContact OE1-NE 2.87Å; E128-R131 IonicContact OE1-NH2 3.47Å; E128-R131 IonicContact OE2-CZ 3.85Å; E128-R131 VanDerWaalsContact OE2-CZ 3.23Å; E128-R131 IonicContact OE2-NE 3.74Å; E128-R131 PolarHBondContact OE2-NE 2.75Å; E128-R131 IonicContact OE2-NH2 3.85Å; E128-R131 PolarHBondContact OE2-NH2 2.83Å |
| 129 | G | 97.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 90% | 0.897 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -65.2 | -11.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E127 | E127-G129 PolarHBondContact O-N 3.02Š|
| 130 | Q | 97.4 | Very high | 97.8 | Very high | 133 Ų | 133 | 52.9 Ų | 52.9 | 62% | 0.621 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -115.3 | 12.1 | 177.6 | -61.4 | 178.6 | 13.8 | 0 | 0 | 112 | T90 E127 E128 E132 | T90-Q130 WeakPolarHBondContact CA-O 3.46Å; T90-Q130 HydrophobicContact CG2-CB 3.67Å; T90-Q130 WeakPolarHBondContact CG2-O 3.45Å; E127-Q130 PolarHBondContact O-N 3.35Å; E128-Q130 PolarHBondContact O-N 2.73Å; E128-Q130 VanDerWaalsContact O-N 3.12Å; Q130-E132 PolarHBondContact O-N 3.45Å |
| 131 | R | 98.5 | Very high | 97.8 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 18% | 0.181 | 30% | 0.297 | C | S | . | . | trans | -61.7 | 126.1 | -176.6 | 177.7 | -178.7 | -71.5 | -94.1 | 8.7 | 111.5 | V89 E128 I133 E151 | V89-R131 HydrophobicContact CB-CG 4.38Å; V89-R131 WeakPolarHBondContact O-CA 3.37Å; E128-R131 WeakPolarHBondContact O-CB 3.37Å; E128-R131 PolarHBondContact O-N 2.93Å; E128-R131 VanDerWaalsContact O-N 3.13Å; E128-R131 WeakPolarHBondContact OE1-CD 3.46Å; E128-R131 IonicContact OE1-CZ 3.84Å; E128-R131 IonicContact OE1-NE 3.02Å; E128-R131 PolarHBondContact OE1-NE 2.87Å; E128-R131 IonicContact OE1-NH2 3.47Å; E128-R131 IonicContact OE2-CZ 3.85Å; E128-R131 VanDerWaalsContact OE2-CZ 3.23Å; E128-R131 IonicContact OE2-NE 3.74Å; E128-R131 PolarHBondContact OE2-NE 2.75Å; E128-R131 IonicContact OE2-NH2 3.85Å; E128-R131 PolarHBondContact OE2-NH2 2.83Å; R131-I133 VanDerWaalsContact CD-O 3.31Å; R131-I133 WeakPolarHBondContact CD-O 3.43Å; R131-I133 VanDerWaalsContact CG-O 3.3Å; R131-I133 WeakPolarHBondContact CG-O 3.18Å; R131-I133 PolarHBondContact NH1-O 3.12Å; R131-I133 VanDerWaalsContact NH1-O 3.12Å; R131-E151 IonicContact CZ-OE1 3.98Å; R131-E151 IonicContact CZ-OE2 3.35Å; R131-E151 IonicContact NH1-OE1 3.55Å; R131-E151 PolarHBondContact NH1-OE1 2.74Å; R131-E151 IonicContact NH1-OE2 3.83Å; R131-E151 IonicContact NH2-OE1 3.76Å; R131-E151 PolarHBondContact NH2-OE1 2.62Å; R131-E151 IonicContact NH2-OE2 2.73Å; R131-E151 PolarHBondContact NH2-OE2 3Å | ||
| 132 | E | 98.3 | Very high | 97.7 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | trans | -104.8 | -18.1 | 174.6 | -60.8 | -175.5 | 171.9 | 0 | 0 | 113 | V89 R92 Q130 | V89-E132 PolarHBondContact O-N 3.13Å; R92-E132 HydrophobicContact CB-CB 4.35Å; R92-E132 VanDerWaalsContact CB-OE2 3.27Å; R92-E132 WeakPolarHBondContact CB-OE2 3.07Å; R92-E132 PolarHBondContact N-OE2 3.3Å; R92-E132 PolarHBondContact NH2-O 3.36Å; Q130-E132 PolarHBondContact O-N 3.45Å | ||
| 133 | I | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -116 | 112.2 | -177.1 | -55.2 | 91.8 | 0 | 0 | 0 | 110.4 | Y87 A88 V89 F95 R131 | Y87-I133 HydrophobicContact CD2-CD1 4.08Å; Y87-I133 HydrophobicContact CD2-CG1 4.4Å; Y87-I133 HydrophobicContact CE2-CB 3.93Å; Y87-I133 HydrophobicContact CE2-CD1 4.06Å; Y87-I133 HydrophobicContact CE2-CG1 4.11Å; Y87-I133 HydrophobicContact CE2-CG2 3.97Å; A88-I133 WeakPolarHBondContact O-CD1 3.16Å; V89-I133 VanDerWaalsContact O-CD1 3.22Å; V89-I133 WeakPolarHBondContact O-CD1 3.34Å; V89-I133 PolarHBondContact O-N 2.87Å; F95-I133 HydrophobicContact CB-CD1 4.32Å; F95-I133 HydrophobicContact CB-CG1 3.95Å; F95-I133 HydrophobicContact CD1-CG1 4.49Å; F95-I133 HydrophobicContact CD1-CG2 4.36Å; F95-I133 HydrophobicContact CD2-CG2 4.27Å; F95-I133 HydrophobicContact CE1-CG2 4.47Å; F95-I133 HydrophobicContact CE2-CG2 4.4Å; F95-I133 HydrophobicContact CG-CG1 4.18Å; F95-I133 HydrophobicContact CG-CG2 4.24Å; F95-I133 HydrophobicContact CZ-CG2 4.49Å; R131-I133 VanDerWaalsContact CD-O 3.31Å; R131-I133 WeakPolarHBondContact CD-O 3.43Å; R131-I133 VanDerWaalsContact CG-O 3.3Å; R131-I133 WeakPolarHBondContact CG-O 3.18Å; R131-I133 PolarHBondContact NH1-O 3.12Å; R131-I133 VanDerWaalsContact NH1-O 3.12Å |
| 134 | P | 97 | Very high | 97.5 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | trans | -62.1 | 140.3 | 171.3 | -22.1 | 33.5 | 0 | 0 | 0 | 111.4 | D136 S137 | P134-D136 PolarHBondContact O-N 3.45Å; P134-D136 VanDerWaalsContact O-N 3.11Å; P134-S137 WeakPolarHBondContact O-CB 3.48Å; P134-S137 PolarHBondContact O-N 3.48Å | ||
| 135 | P | 96.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 62.4 Ų | 62.4 | 26% | 0.26 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -52.7 | -36.3 | 178.9 | -28.3 | 35 | 0 | 0 | 0 | 113.6 | S137 A138 K139 | P135-S137 VanDerWaalsContact C-N 3.28Å; P135-S137 PolarHBondContact O-N 3.44Å; P135-A138 PolarHBondContact O-N 2.95Å; P135-A138 VanDerWaalsContact O-N 3.16Å; P135-K139 WeakPolarHBondContact O-CG 3.47Å; P135-K139 PolarHBondContact O-N 2.83Å |
| 136 | D | 97.8 | Very high | 97.2 | Very high | 114 Ų | 114 | 68.5 Ų | 68.5 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.6 | -29 | -179.2 | -66.5 | -17.7 | 0 | 0 | 0 | 113.4 | P134 K139 S140 | P134-D136 PolarHBondContact O-N 3.45Å; P134-D136 VanDerWaalsContact O-N 3.11Å; D136-K139 IonicContact OD1-NZ 2.83Å; D136-S140 WeakPolarHBondContact O-CB 3.2Å; D136-S140 PolarHBondContact O-N 3.09Å |
| 137 | S | 97.4 | Very high | 97.2 | Very high | 52 Ų | 52 | 67 Ų | 67 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 174 | -62 | 0 | 0 | 0 | 0 | 111 | P134 P135 L141 | P134-S137 WeakPolarHBondContact O-CB 3.48Å; P134-S137 PolarHBondContact O-N 3.48Å; P135-S137 VanDerWaalsContact C-N 3.28Å; P135-S137 PolarHBondContact O-N 3.44Å; S137-L141 PolarHBondContact O-N 3.09Å; S137-L141 VanDerWaalsContact O-N 3.09Å |
| 138 | A | 97.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -75.2 | -38.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y87 F95 P135 S140 L141 A142 Y149 | Y87-A138 HydrophobicContact CE1-CB 4.02Å; Y87-A138 WeakPolarHBondContact OH-CB 3.4Å; F95-A138 HydrophobicContact CE2-CB 3.69Å; F95-A138 HydrophobicContact CZ-CB 4.22Å; P135-A138 PolarHBondContact O-N 2.95Å; P135-A138 VanDerWaalsContact O-N 3.16Å; A138-S140 PolarHBondContact O-N 2.91Å; A138-L141 PolarHBondContact O-N 2.93Å; A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 3.24Å; A138-Y149 HydrophobicContact CB-CD2 4.01Å; A138-Y149 HydrophobicContact CB-CE2 3.32Å |
| 139 | K | 97.9 | Very high | 97.3 | Very high | 105 Ų | 105 | 61.9 Ų | 61.9 | 46% | 0.457 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -45.1 | 171 | -71.5 | 174.6 | -173.7 | 170 | 0 | 111.9 | P135 D136 A142 S143 Y149 | P135-K139 WeakPolarHBondContact O-CG 3.47Å; P135-K139 PolarHBondContact O-N 2.83Å; D136-K139 IonicContact OD1-NZ 2.83Å; K139-A142 PolarHBondContact O-N 2.97Å; K139-S143 WeakPolarHBondContact O-CB 3.46Å; K139-S143 PolarHBondContact O-N 3.12Å; K139-Y149 HydrophobicContact CB-CD1 4.44Å; K139-Y149 HydrophobicContact CD-CE1 4.32Å; K139-Y149 HydrophobicContact CG-CD1 3.43Å; K139-Y149 VanDerWaalsContact CG-CD1 3.43Å; K139-Y149 HydrophobicContact CG-CE1 3.42Å; K139-Y149 VanDerWaalsContact CG-CE1 3.42Å; K139-Y149 HydrophobicContact CG-CG 4.34Å |
| 140 | S | 98.1 | Very high | 97.4 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 111.4 | D136 A138 S143 N144 | D136-S140 WeakPolarHBondContact O-CB 3.2Å; D136-S140 PolarHBondContact O-N 3.09Å; A138-S140 PolarHBondContact O-N 2.91Å; S140-S143 PolarHBondContact O-N 2.81Å; S140-N144 WeakPolarHBondContact O-CB 3.45Å; S140-N144 PolarHBondContact O-N 3.43Å; S140-N144 PolarHBondContact O-ND2 3.29Å; S140-N144 VanDerWaalsContact O-ND2 3.12Å |
| 141 | L | 97.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 175.4 | -172.6 | 70.3 | 0 | 0 | 0 | 111.8 | F95 S137 A138 S143 N144 W145 | F95-L141 HydrophobicContact CE1-CD2 4.36Å; F95-L141 HydrophobicContact CE2-CD2 3.68Å; F95-L141 HydrophobicContact CZ-CB 4.07Å; F95-L141 HydrophobicContact CZ-CD2 3.57Å; F95-L141 HydrophobicContact CZ-CG 4.41Å; S137-L141 PolarHBondContact O-N 3.09Å; S137-L141 VanDerWaalsContact O-N 3.09Å; A138-L141 PolarHBondContact O-N 2.93Å; L141-S143 PolarHBondContact O-N 2.82Å; L141-N144 PolarHBondContact O-N 2.95Å; L141-W145 HydrophobicContact CD1-CD2 4.14Å; L141-W145 HydrophobicContact CD1-CE3 4.45Å; L141-W145 HydrophobicContact CD1-CH2 3.89Å; L141-W145 HydrophobicContact CD1-CZ2 3.57Å; L141-W145 HydrophobicContact CD1-CZ3 4.33Å; L141-W145 HydrophobicContact CD2-CE3 4.3Å; L141-W145 HydrophobicContact CD2-CH2 3.75Å; L141-W145 HydrophobicContact CD2-CZ2 4.31Å; L141-W145 HydrophobicContact CD2-CZ3 3.75Å; L141-W145 HydrophobicContact CG-CD2 4.08Å; L141-W145 HydrophobicContact CG-CE3 3.99Å; L141-W145 HydrophobicContact CG-CH2 3.95Å; L141-W145 HydrophobicContact CG-CZ2 4.08Å; L141-W145 HydrophobicContact CG-CZ3 3.91Å; L141-W145 PolarHBondContact O-N 2.86Å |
| 142 | A | 97.7 | Very high | 97.5 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | I120 A138 K139 W145 K146 C147 | I120-A142 HydrophobicContact CB-CB 4.29Å; I120-A142 HydrophobicContact CG1-CB 3.94Å; A138-A142 WeakPolarHBondContact O-CB 3.46Å; A138-A142 PolarHBondContact O-N 3.24Å; K139-A142 PolarHBondContact O-N 2.97Å; A142-W145 CarbonylContact O-C 3.57Å; A142-W145 PolarHBondContact O-N 3.48Å; A142-K146 PolarHBondContact O-N 2.86Å; A142-C147 HydrophobicContact CB-CB 4.42Å; A142-C147 PolarHBondContact O-N 3.45Å |
| 143 | S | 96.7 | Very high | 97.5 | Very high | 87 Ų | 87 | 46.8 Ų | 46.8 | 61% | 0.608 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 112 | K139 S140 L141 W145 K146 | K139-S143 WeakPolarHBondContact O-CB 3.46Å; K139-S143 PolarHBondContact O-N 3.12Å; S140-S143 PolarHBondContact O-N 2.81Å; L141-S143 PolarHBondContact O-N 2.82Å; S143-W145 PolarHBondContact O-N 3.31Å; S143-K146 PolarHBondContact O-N 2.6Å; S143-K146 VanDerWaalsContact O-N 3.09Å |
| 144 | N | 96.3 | Very high | 97.5 | Very high | 118 Ų | 118 | 46.9 Ų | 46.9 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.4 | -33.5 | 178.1 | -70.5 | -28.8 | 0 | 0 | 0 | 112.2 | S140 L141 | S140-N144 WeakPolarHBondContact O-CB 3.45Å; S140-N144 PolarHBondContact O-N 3.43Å; S140-N144 PolarHBondContact O-ND2 3.29Å; S140-N144 VanDerWaalsContact O-ND2 3.12Å; L141-N144 PolarHBondContact O-N 2.95Å |
| 145 | W | 96.2 | Very high | 97.6 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 0.5 | 176.7 | -66.3 | -10.5 | 0 | 0 | 0 | 114.2 | L98 R99 Y102 I120 L141 A142 S143 C147 | L98-W145 HydrophobicContact CB-CH2 4.22Å; L98-W145 HydrophobicContact CB-CZ3 4.31Å; R99-W145 HydrophobicContact CB-CH2 4.37Å; R99-W145 HydrophobicContact CB-CZ2 4.25Å; R99-W145 HydrophobicContact CG-CH2 4.01Å; R99-W145 HydrophobicContact CG-CZ2 3.85Å; Y102-W145 AromaticContact CD1-CD2 3.92Å; Y102-W145 HydrophobicContact CD1-CD2 3.92Å; Y102-W145 AromaticContact CD1-CE2 3.75Å; Y102-W145 HydrophobicContact CD1-CE3 4.35Å; Y102-W145 HydrophobicContact CD1-CG 4.26Å; Y102-W145 HydrophobicContact CD1-CH2 4.49Å; Y102-W145 HydrophobicContact CD1-CZ2 4.03Å; Y102-W145 AromaticContact CD2-CD2 3.89Å; Y102-W145 HydrophobicContact CD2-CD2 3.89Å; Y102-W145 AromaticContact CD2-CE3 3.65Å; Y102-W145 HydrophobicContact CD2-CE3 3.65Å; Y102-W145 HydrophobicContact CD2-CG 4.32Å; Y102-W145 HydrophobicContact CD2-CZ3 4.1Å; Y102-W145 HydrophobicContact CE1-CB 4.43Å; Y102-W145 AromaticContact CE1-CD1 3.85Å; Y102-W145 HydrophobicContact CE1-CD2 4.04Å; Y102-W145 AromaticContact CE1-CG 3.89Å; Y102-W145 HydrophobicContact CE1-CG 3.89Å; Y102-W145 AromaticContact CE1-NE1 3.96Å; Y102-W145 HydrophobicContact CE2-CB 3.84Å; Y102-W145 HydrophobicContact CE2-CD2 4.02Å; Y102-W145 HydrophobicContact CE2-CE3 4.1Å; Y102-W145 AromaticContact CE2-CG 3.96Å; Y102-W145 HydrophobicContact CE2-CG 3.96Å; Y102-W145 AromaticContact CG-CD2 3.84Å; Y102-W145 HydrophobicContact CG-CD2 3.84Å; Y102-W145 AromaticContact CG-CE2 3.97Å; Y102-W145 AromaticContact CG-CE3 3.79Å; Y102-W145 HydrophobicContact CG-CE3 3.79Å; Y102-W145 HydrophobicContact CG-CG 4.47Å; Y102-W145 HydrophobicContact CG-CH2 4.07Å; Y102-W145 HydrophobicContact CG-CZ2 4.07Å; Y102-W145 AromaticContact CG-CZ3 3.93Å; Y102-W145 HydrophobicContact CG-CZ3 3.93Å; Y102-W145 AromaticContact CZ-CG 3.72Å; Y102-W145 PolarHBondContact OH-O 2.93Å; I120-W145 HydrophobicContact CD1-CE3 3.91Å; I120-W145 HydrophobicContact CD1-CZ3 3.9Å; L141-W145 HydrophobicContact CD1-CD2 4.14Å; L141-W145 HydrophobicContact CD1-CE3 4.45Å; L141-W145 HydrophobicContact CD1-CH2 3.89Å; L141-W145 HydrophobicContact CD1-CZ2 3.57Å; L141-W145 HydrophobicContact CD1-CZ3 4.33Å; L141-W145 HydrophobicContact CD2-CE3 4.3Å; L141-W145 HydrophobicContact CD2-CH2 3.75Å; L141-W145 HydrophobicContact CD2-CZ2 4.31Å; L141-W145 HydrophobicContact CD2-CZ3 3.75Å; L141-W145 HydrophobicContact CG-CD2 4.08Å; L141-W145 HydrophobicContact CG-CE3 3.99Å; L141-W145 HydrophobicContact CG-CH2 3.95Å; L141-W145 HydrophobicContact CG-CZ2 4.08Å; L141-W145 HydrophobicContact CG-CZ3 3.91Å; L141-W145 PolarHBondContact O-N 2.86Å; A142-W145 CarbonylContact O-C 3.57Å; A142-W145 PolarHBondContact O-N 3.48Å; S143-W145 PolarHBondContact O-N 3.31Å; W145-C147 HydrophobicContact CB-CB 4.42Å; W145-C147 VanDerWaalsContact CB-SG 3.6Å; W145-C147 PolarHBondContact O-N 3.06Å; W145-C147 PolarHBondContact O-SG 3.42Å; W145-C147 VanDerWaalsContact O-SG 3.4Å |
| 146 | K | 95.3 | Very high | 97.7 | Very high | 161 Ų | 161 | 50.8 Ų | 50.8 | 70% | 0.7 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 33.1 | -174.1 | -53.7 | 177.2 | -178.2 | 176 | 0 | 113 | A114 A142 S143 | A114-K146 HydrophobicContact CB-CD 4.15Å; A142-K146 PolarHBondContact O-N 2.86Å; S143-K146 PolarHBondContact O-N 2.6Å; S143-K146 VanDerWaalsContact O-N 3.09Å |
| 147 | C | 97.2 | Very high | 97.7 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | trans | -96.4 | 159.7 | 176.7 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | I118 I120 A142 W145 | I118-C147 HydrophobicContact CB-CB 4.29Å; I118-C147 HydrophobicContact CG2-CB 4.26Å; I118-C147 VanDerWaalsContact CG2-SG 3.59Å; I118-C147 WeakPolarHBondContact O-CA 3.42Å; I118-C147 WeakPolarHBondContact O-CB 3.38Å; I120-C147 HydrophobicContact CG1-CB 4.06Å; A142-C147 HydrophobicContact CB-CB 4.42Å; A142-C147 PolarHBondContact O-N 3.45Å; W145-C147 HydrophobicContact CB-CB 4.42Å; W145-C147 VanDerWaalsContact CB-SG 3.6Å; W145-C147 PolarHBondContact O-N 3.06Å; W145-C147 PolarHBondContact O-SG 3.42Å; W145-C147 VanDerWaalsContact O-SG 3.4Å | ||
| 148 | G | 97.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 19% | 0.186 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 162.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I118 M119 I120 | I118-G148 PolarHBondContact O-N 3.23Å; M119-G148 WeakPolarHBondContact SD-CA 3.39Å; I120-G148 PolarHBondContact N-O 2.96Å |
| 149 | Y | 98.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 16% | 0.161 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 134.5 | 178.4 | 169.8 | -104.9 | 0 | 0 | 0 | 111.1 | Y87 I120 A138 K139 E151 | Y87-Y149 HydrophobicContact CE1-CE2 4.4Å; I120-Y149 HydrophobicContact CB-CD2 4.16Å; I120-Y149 HydrophobicContact CG2-CD2 4.1Å; I120-Y149 WeakPolarHBondContact O-CA 3.29Å; I120-Y149 WeakPolarHBondContact O-CD2 2.93Å; A138-Y149 HydrophobicContact CB-CD2 4.01Å; A138-Y149 HydrophobicContact CB-CE2 3.32Å; K139-Y149 HydrophobicContact CB-CD1 4.44Å; K139-Y149 HydrophobicContact CD-CE1 4.32Å; K139-Y149 HydrophobicContact CG-CD1 3.43Å; K139-Y149 VanDerWaalsContact CG-CD1 3.43Å; K139-Y149 HydrophobicContact CG-CE1 3.42Å; K139-Y149 VanDerWaalsContact CG-CE1 3.42Å; K139-Y149 HydrophobicContact CG-CG 4.34Å; Y149-E151 HydrophobicContact CE1-CG 4.15Å; Y149-E151 HydrophobicContact CE2-CG 4.35Å; Y149-E151 VanDerWaalsContact OH-CD 3.3Å; Y149-E151 WeakPolarHBondContact OH-CG 3.4Å; Y149-E151 PolarHBondContact OH-OE1 3.31Å |
| 150 | I | 98.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 148.4 | 174.4 | -163.8 | 167.5 | 0 | 0 | 0 | 110.2 | M119 I120 V121 G122 T152 N159 E162 L163 | M119-I150 HydrophobicContact CE-CB 3.88Å; M119-I150 HydrophobicContact CE-CG2 3.63Å; I120-I150 PolarHBondContact O-N 3.36Å; I120-I150 VanDerWaalsContact O-N 3.09Å; V121-I150 WeakPolarHBondContact CA-O 3.43Å; V121-I150 HydrophobicContact CG2-CG2 4.12Å; G122-I150 PolarHBondContact N-O 3.25Å; I150-T152 HydrophobicContact CG2-CG2 4.19Å; I150-N159 HydrophobicContact CD1-CB 3.78Å; I150-N159 HydrophobicContact CG1-CB 4.04Å; I150-E162 HydrophobicContact CD1-CB 3.93Å; I150-L163 HydrophobicContact CD1-CB 4.49Å; I150-L163 HydrophobicContact CG2-CB 4.09Å; I150-L163 HydrophobicContact CG2-CD1 3.69Å; I150-L163 HydrophobicContact CG2-CG 4.4Å |
| 151 | E | 98.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141 | 169.1 | -65 | -157.3 | 140.5 | 0 | 0 | 110.8 | G122 I125 R131 Y149 N159 | G122-E151 CarbonylContact O-C 3.59Å; G122-E151 VanDerWaalsContact O-CA 3.24Å; G122-E151 WeakPolarHBondContact O-CA 3.44Å; I125-E151 HydrophobicContact CD1-CB 4.41Å; I125-E151 HydrophobicContact CG2-CB 3.66Å; I125-E151 HydrophobicContact CG2-CG 4.27Å; R131-E151 IonicContact CZ-OE1 3.98Å; R131-E151 IonicContact CZ-OE2 3.35Å; R131-E151 IonicContact NH1-OE1 3.55Å; R131-E151 PolarHBondContact NH1-OE1 2.74Å; R131-E151 IonicContact NH1-OE2 3.83Å; R131-E151 IonicContact NH2-OE1 3.76Å; R131-E151 PolarHBondContact NH2-OE1 2.62Å; R131-E151 IonicContact NH2-OE2 2.73Å; R131-E151 PolarHBondContact NH2-OE2 3Å; Y149-E151 HydrophobicContact CE1-CG 4.15Å; Y149-E151 HydrophobicContact CE2-CG 4.35Å; Y149-E151 VanDerWaalsContact OH-CD 3.3Å; Y149-E151 WeakPolarHBondContact OH-CG 3.4Å; Y149-E151 PolarHBondContact OH-OE1 3.31Å; E151-N159 VanDerWaalsContact O-CB 3.23Å; E151-N159 WeakPolarHBondContact O-CB 3.46Å; E151-N159 PolarHBondContact O-ND2 3.18Å |
| 152 | T | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.7 | -174.4 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | V121 G122 N123 K124 I125 I150 I158 N159 I160 L163 | V121-T152 HydrophobicContact CG1-CG2 3.75Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.44Å; G122-T152 PolarHBondContact O-N 3.28Å; N123-T152 CarbonylContact C-O 3.59Å; N123-T152 VanDerWaalsContact CA-O 3.32Å; N123-T152 WeakPolarHBondContact CA-O 3.33Å; N123-T152 PolarHBondContact OD1-O 3.12Å; N123-T152 PolarHBondContact OD1-OG1 3.09Å; K124-T152 PolarHBondContact N-O 3Å; I125-T152 PolarHBondContact N-O 2.94Å; I150-T152 HydrophobicContact CG2-CG2 4.19Å; T152-I158 WeakPolarHBondContact CA-O 3.42Å; T152-N159 HydrophobicContact CG2-CB 4.07Å; T152-I160 HydrophobicContact CG2-CD1 4.39Å; T152-L163 HydrophobicContact CG2-CB 4.4Å; T152-L163 HydrophobicContact CG2-CD2 4.29Å |
| 153 | S | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 107.6 | 159.8 | 173.9 | 0 | 0 | 0 | 0 | 108.9 | D126 K155 N156 N157 I158 | D126-S153 VanDerWaalsContact CG-OG 3.27Å; D126-S153 VanDerWaalsContact OD1-CB 3.29Å; D126-S153 WeakPolarHBondContact OD1-CB 3.42Å; D126-S153 PolarHBondContact OD1-OG 3.12Å; S153-K155 PolarHBondContact O-N 3.13Å; S153-K155 PolarHBondContact OG-N 2.88Å; S153-N156 WeakPolarHBondContact OG-CB 3.22Å; S153-N156 PolarHBondContact OG-N 3.06Å; S153-N157 CarbonylContact O-C 3.56Å; S153-N157 WeakPolarHBondContact O-CA 3.31Å; S153-N157 PolarHBondContact O-N 2.92Å; S153-I158 PolarHBondContact N-O 3.26Å; S153-I158 PolarHBondContact O-N 3.45Å |
| 154 | A | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -33.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I23 R26 F32 N123 I160 | I23-A154 HydrophobicContact CG1-CB 4.09Å; R26-A154 PolarHBondContact NE-O 2.97Å; F32-A154 HydrophobicContact CD2-CB 4.09Å; F32-A154 WeakPolarHBondContact CD2-O 3.49Å; F32-A154 HydrophobicContact CE2-CB 4.07Å; N123-A154 PolarHBondContact OD1-N 3.03Å; A154-I160 HydrophobicContact CB-CD1 4.28Å |
| 155 | K | 97.9 | Very high | 97.9 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 39% | 0.391 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -57.1 | 177.5 | -173.8 | 178.7 | -172.1 | 173.6 | 0 | 110.8 | R26 F32 D126 S153 N157 | R26-K155 PolarHBondContact NH2-O 3.5Å; F32-K155 HydrophobicContact CD1-CB 4.45Å; F32-K155 HydrophobicContact CD1-CG 4.25Å; F32-K155 HydrophobicContact CE1-CB 3.92Å; F32-K155 HydrophobicContact CE1-CD 4.43Å; F32-K155 HydrophobicContact CE1-CG 3.72Å; F32-K155 HydrophobicContact CE2-CB 4Å; F32-K155 HydrophobicContact CZ-CB 3.68Å; F32-K155 HydrophobicContact CZ-CG 3.99Å; D126-K155 WeakPolarHBondContact OD2-CD 3.11Å; S153-K155 PolarHBondContact O-N 3.13Å; S153-K155 PolarHBondContact OG-N 2.88Å; K155-N157 VanDerWaalsContact C-N 3.32Å; K155-N157 PolarHBondContact O-N 2.97Å |
| 156 | N | 98.1 | Very high | 98 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 4.5 | -175.6 | -65.3 | -11.9 | 0 | 0 | 0 | 113.7 | D126 S153 I158 | D126-N156 WeakPolarHBondContact CB-ND2 3.38Å; S153-N156 WeakPolarHBondContact OG-CB 3.22Å; S153-N156 PolarHBondContact OG-N 3.06Å; N156-I158 VanDerWaalsContact C-N 3.29Å; N156-I158 HydrophobicContact CB-CD1 3.84Å; N156-I158 HydrophobicContact CB-CG1 3.91Å; N156-I158 PolarHBondContact O-N 2.83Å |
| 157 | N | 98.2 | Very high | 98.1 | Very high | 89 Ų | 89 | 40.9 Ų | 40.9 | 48% | 0.476 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 40 | -176.5 | -167.3 | 40.3 | 0 | 0 | 0 | 113.6 | R26 S153 K155 | R26-N157 VanDerWaalsContact CD-OD1 3.31Å; R26-N157 WeakPolarHBondContact CD-OD1 3.41Å; R26-N157 HydrophobicContact CG-CB 4.2Å; R26-N157 WeakPolarHBondContact CG-OD1 3.3Å; S153-N157 CarbonylContact O-C 3.56Å; S153-N157 WeakPolarHBondContact O-CA 3.31Å; S153-N157 PolarHBondContact O-N 2.92Å; K155-N157 VanDerWaalsContact C-N 3.32Å; K155-N157 PolarHBondContact O-N 2.97Å |
| 158 | I | 98.7 | Very high | 98.1 | Very high | 67 Ų | 67 | 40 Ų | 40 | 34% | 0.344 | 20% | 0.198 | S | C | . | . | B | Isolated β-bridge | trans | -93.2 | 127.7 | 178.9 | -58.9 | 171.4 | 0 | 0 | 0 | 109.1 | I125 T152 S153 N156 I160 | I125-I158 HydrophobicContact CD1-CB 4.42Å; I125-I158 HydrophobicContact CD1-CD1 4.48Å; I125-I158 HydrophobicContact CD1-CG2 3.94Å; T152-I158 WeakPolarHBondContact CA-O 3.42Å; S153-I158 PolarHBondContact N-O 3.26Å; S153-I158 PolarHBondContact O-N 3.45Å; N156-I158 VanDerWaalsContact C-N 3.29Å; N156-I158 HydrophobicContact CB-CD1 3.84Å; N156-I158 HydrophobicContact CB-CG1 3.91Å; N156-I158 PolarHBondContact O-N 2.83Å; I158-I160 PolarHBondContact O-N 3.15Å; I158-I160 VanDerWaalsContact O-N 3.13Å |
| 159 | N | 98.6 | Very high | 97.9 | Very high | 58 Ų | 58 | 43.3 Ų | 43.3 | 31% | 0.31 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 59.7 | 16.3 | 175.7 | -66.6 | -18.9 | 0 | 0 | 0 | 115.5 | I150 E151 T152 E162 L163 | I150-N159 HydrophobicContact CD1-CB 3.78Å; I150-N159 HydrophobicContact CG1-CB 4.04Å; E151-N159 VanDerWaalsContact O-CB 3.23Å; E151-N159 WeakPolarHBondContact O-CB 3.46Å; E151-N159 PolarHBondContact O-ND2 3.18Å; T152-N159 HydrophobicContact CG2-CB 4.07Å; N159-E162 VanDerWaalsContact C-OE2 3.27Å; N159-E162 WeakPolarHBondContact CA-OE2 3.45Å; N159-E162 HydrophobicContact CB-CB 4.48Å; N159-L163 VanDerWaalsContact O-CB 3.31Å; N159-L163 WeakPolarHBondContact O-CB 3.32Å; N159-L163 PolarHBondContact O-N 3.34Å |
| 160 | I | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.4 | -45.4 | -177 | -61.1 | -63.9 | 0 | 0 | 0 | 110.8 | I23 R26 F27 T152 A154 I158 F164 | I23-I160 HydrophobicContact CB-CD1 4.48Å; I23-I160 HydrophobicContact CG1-CD1 4.15Å; I23-I160 HydrophobicContact CG2-CD1 4.27Å; R26-I160 HydrophobicContact CB-CG2 4.26Å; R26-I160 HydrophobicContact CG-CB 4.26Å; R26-I160 HydrophobicContact CG-CG1 3.87Å; R26-I160 HydrophobicContact CG-CG2 4.01Å; F27-I160 HydrophobicContact CB-CG2 3.7Å; F27-I160 HydrophobicContact CD2-CG2 4.43Å; T152-I160 HydrophobicContact CG2-CD1 4.39Å; A154-I160 HydrophobicContact CB-CD1 4.28Å; I158-I160 PolarHBondContact O-N 3.15Å; I158-I160 VanDerWaalsContact O-N 3.13Å; I160-F164 VanDerWaalsContact O-CD2 3.27Å; I160-F164 WeakPolarHBondContact O-CD2 3.45Å |
| 161 | K | 97.2 | Very high | 97.5 | Very high | 98 Ų | 98 | 44 Ų | 44 | 43% | 0.426 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69.4 | -42.2 | 178.2 | -174 | -176.3 | 175.2 | -177.8 | 0 | 110.4 | L163 F164 Q165 L178 | K161-L163 VanDerWaalsContact C-N 3.35Å; K161-L163 PolarHBondContact O-N 3.17Å; K161-F164 PolarHBondContact O-N 3.49Å; K161-Q165 HydrophobicContact CG-CG 4.35Å; K161-Q165 WeakPolarHBondContact O-CG 3.35Å; K161-Q165 PolarHBondContact O-N 3.39Å; K161-L178 HydrophobicContact CG-CD1 3.71Å |
| 162 | E | 98.1 | Very high | 97.1 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58 | -45 | 179.9 | -66.2 | 72.7 | -166 | 0 | 0 | 110.8 | I150 N159 F164 Q165 E166 | I150-E162 HydrophobicContact CD1-CB 3.93Å; N159-E162 VanDerWaalsContact C-OE2 3.27Å; N159-E162 WeakPolarHBondContact CA-OE2 3.45Å; N159-E162 HydrophobicContact CB-CB 4.48Å; E162-F164 VanDerWaalsContact C-N 3.35Å; E162-F164 PolarHBondContact O-N 2.87Å; E162-Q165 PolarHBondContact O-N 3.48Å; E162-Q165 VanDerWaalsContact O-N 3.16Å; E162-E166 WeakPolarHBondContact O-CB 3.4Å; E162-E166 WeakPolarHBondContact O-CG 3.47Å; E162-E166 PolarHBondContact O-N 3.26Å |
| 163 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -51 | -51.2 | 173.4 | 165.5 | 59.8 | 0 | 0 | 0 | 112.3 | I23 I84 M119 V121 I150 T152 N159 K161 L167 | I23-L163 HydrophobicContact CG2-CD2 3.87Å; I84-L163 HydrophobicContact CD1-CD1 4.3Å; I84-L163 HydrophobicContact CD1-CD2 4.3Å; I84-L163 HydrophobicContact CD1-CG 4.29Å; I84-L163 HydrophobicContact CG2-CD1 4.32Å; I84-L163 HydrophobicContact CG2-CD2 4.39Å; M119-L163 HydrophobicContact CB-CD1 3.92Å; M119-L163 HydrophobicContact CE-CD1 4.09Å; M119-L163 HydrophobicContact CG-CD1 4.14Å; V121-L163 HydrophobicContact CG1-CD2 4.29Å; V121-L163 HydrophobicContact CG2-CD1 3.48Å; V121-L163 VanDerWaalsContact CG2-CD1 3.48Å; V121-L163 HydrophobicContact CG2-CD2 3.99Å; V121-L163 HydrophobicContact CG2-CG 4.39Å; I150-L163 HydrophobicContact CD1-CB 4.49Å; I150-L163 HydrophobicContact CG2-CB 4.09Å; I150-L163 HydrophobicContact CG2-CD1 3.69Å; I150-L163 HydrophobicContact CG2-CG 4.4Å; T152-L163 HydrophobicContact CG2-CB 4.4Å; T152-L163 HydrophobicContact CG2-CD2 4.29Å; N159-L163 VanDerWaalsContact O-CB 3.31Å; N159-L163 WeakPolarHBondContact O-CB 3.32Å; N159-L163 PolarHBondContact O-N 3.34Å; K161-L163 VanDerWaalsContact C-N 3.35Å; K161-L163 PolarHBondContact O-N 3.17Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 PolarHBondContact O-N 3.02Å |
| 164 | F | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.4 | -34 | -178.9 | -72.7 | -83.8 | 0 | 0 | 0 | 111.9 | I12 I23 F27 I60 I84 I160 K161 E162 L168 L178 | I12-F164 HydrophobicContact CD1-CZ 4.25Å; I23-F164 HydrophobicContact CG2-CE2 4Å; I23-F164 HydrophobicContact CG2-CZ 4.3Å; F27-F164 HydrophobicContact CB-CD2 3.91Å; F27-F164 HydrophobicContact CB-CE2 3.44Å; F27-F164 VanDerWaalsContact CB-CE2 3.44Å; F27-F164 HydrophobicContact CB-CZ 4.16Å; F27-F164 HydrophobicContact CD1-CD1 4.21Å; F27-F164 AromaticContact CD1-CD2 3.75Å; F27-F164 HydrophobicContact CD1-CD2 3.75Å; F27-F164 HydrophobicContact CD1-CE1 4.1Å; F27-F164 AromaticContact CD1-CE2 3.66Å; F27-F164 HydrophobicContact CD1-CE2 3.66Å; F27-F164 HydrophobicContact CD1-CG 4.05Å; F27-F164 AromaticContact CD1-CZ 3.83Å; F27-F164 HydrophobicContact CD1-CZ 3.83Å; F27-F164 HydrophobicContact CD2-CB 4.26Å; F27-F164 AromaticContact CD2-CD2 3.28Å; F27-F164 HydrophobicContact CD2-CD2 3.28Å; F27-F164 AromaticContact CD2-CE2 3.78Å; F27-F164 HydrophobicContact CD2-CE2 3.78Å; F27-F164 AromaticContact CD2-CG 3.89Å; F27-F164 HydrophobicContact CD2-CG 3.89Å; F27-F164 HydrophobicContact CE1-CB 4.47Å; F27-F164 HydrophobicContact CE1-CD1 4.06Å; F27-F164 HydrophobicContact CE1-CD2 4.1Å; F27-F164 HydrophobicContact CE1-CE1 4.32Å; F27-F164 HydrophobicContact CE1-CE2 4.39Å; F27-F164 AromaticContact CE1-CG 3.95Å; F27-F164 HydrophobicContact CE1-CG 3.95Å; F27-F164 HydrophobicContact CE1-CZ 4.48Å; F27-F164 HydrophobicContact CE2-CB 3.73Å; F27-F164 AromaticContact CE2-CD2 3.65Å; F27-F164 HydrophobicContact CE2-CD2 3.65Å; F27-F164 HydrophobicContact CE2-CE2 4.46Å; F27-F164 AromaticContact CE2-CG 3.76Å; F27-F164 HydrophobicContact CE2-CG 3.76Å; F27-F164 AromaticContact CG-CD2 3.34Å; F27-F164 HydrophobicContact CG-CD2 3.34Å; F27-F164 AromaticContact CG-CE2 3.32Å; F27-F164 HydrophobicContact CG-CE2 3.32Å; F27-F164 HydrophobicContact CG-CG 4.04Å; F27-F164 AromaticContact CG-CZ 3.98Å; F27-F164 HydrophobicContact CG-CZ 3.98Å; F27-F164 HydrophobicContact CZ-CB 3.86Å; F27-F164 HydrophobicContact CZ-CD1 4.28Å; F27-F164 HydrophobicContact CZ-CD2 4.05Å; F27-F164 AromaticContact CZ-CG 3.8Å; F27-F164 HydrophobicContact CZ-CG 3.8Å; I60-F164 HydrophobicContact CD1-CD1 4.24Å; I60-F164 HydrophobicContact CD1-CE1 3.59Å; I60-F164 HydrophobicContact CD1-CZ 4.1Å; I60-F164 HydrophobicContact CG1-CE1 4.22Å; I60-F164 HydrophobicContact CG2-CE1 4.35Å; I84-F164 HydrophobicContact CD1-CD1 4.33Å; I84-F164 HydrophobicContact CD1-CE1 3.84Å; I84-F164 HydrophobicContact CD1-CZ 4.17Å; I160-F164 VanDerWaalsContact O-CD2 3.27Å; I160-F164 WeakPolarHBondContact O-CD2 3.45Å; K161-F164 PolarHBondContact O-N 3.49Å; E162-F164 VanDerWaalsContact C-N 3.35Å; E162-F164 PolarHBondContact O-N 2.87Å; F164-L168 WeakPolarHBondContact O-CB 3.22Å; F164-L168 WeakPolarHBondContact O-CD1 3.39Å; F164-L168 WeakPolarHBondContact O-CG 3.5Å; F164-L168 PolarHBondContact O-N 3.18Å; F164-L168 VanDerWaalsContact O-N 3.08Å; F164-L178 HydrophobicContact CB-CD1 4.2Å; F164-L178 HydrophobicContact CB-CD2 4.42Å |
| 165 | Q | 96.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 67.5 Ų | 67.5 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 175 | -70.6 | 178.7 | -62.2 | 0 | 0 | 111.8 | K161 E162 L168 S169 L178 | K161-Q165 HydrophobicContact CG-CG 4.35Å; K161-Q165 WeakPolarHBondContact O-CG 3.35Å; K161-Q165 PolarHBondContact O-N 3.39Å; E162-Q165 PolarHBondContact O-N 3.48Å; E162-Q165 VanDerWaalsContact O-N 3.16Å; Q165-L168 PolarHBondContact O-N 2.97Å; Q165-S169 WeakPolarHBondContact O-CB 3.37Å; Q165-S169 PolarHBondContact O-N 3.29Å; Q165-L178 HydrophobicContact CG-CB 4.3Å; Q165-L178 HydrophobicContact CG-CD1 3.44Å; Q165-L178 VanDerWaalsContact CG-CD1 3.44Å; Q165-L178 HydrophobicContact CG-CG 3.74Å |
| 166 | E | 97.3 | Very high | 95.6 | Very high | 85 Ų | 85 | 64 Ų | 64 | 40% | 0.397 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -49 | 178.7 | -73.8 | -175.4 | -165.6 | 0 | 0 | 110.8 | M119 E162 L168 S169 M170 | M119-E166 HydrophobicContact CE-CB 4.07Å; M119-E166 WeakPolarHBondContact CE-OE2 3.41Å; E162-E166 WeakPolarHBondContact O-CB 3.4Å; E162-E166 WeakPolarHBondContact O-CG 3.47Å; E162-E166 PolarHBondContact O-N 3.26Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 PolarHBondContact O-N 3.02Å; E166-S169 PolarHBondContact O-N 3.19Å; E166-S169 VanDerWaalsContact O-N 3.09Å; E166-S169 PolarHBondContact O-OG 3.08Å; E166-M170 WeakPolarHBondContact O-CG 3.3Å; E166-M170 PolarHBondContact O-N 3.11Å |
| 167 | L | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.5 | -46.6 | 177.1 | -175.4 | 74.7 | 0 | 0 | 0 | 112.1 | V10 A82 I84 P117 M119 L163 S169 M170 | V10-L167 HydrophobicContact CB-CD2 4.5Å; V10-L167 HydrophobicContact CG1-CD2 3.73Å; V10-L167 HydrophobicContact CG2-CD2 3.86Å; A82-L167 HydrophobicContact CB-CD1 4.08Å; A82-L167 HydrophobicContact CB-CD2 4.05Å; A82-L167 HydrophobicContact CB-CG 4.05Å; I84-L167 HydrophobicContact CD1-CD2 3.84Å; I84-L167 HydrophobicContact CG1-CD1 4.48Å; I84-L167 HydrophobicContact CG1-CD2 3.64Å; P117-L167 HydrophobicContact CB-CD1 4.11Å; M119-L167 HydrophobicContact CB-CD1 4.04Å; M119-L167 HydrophobicContact CG-CB 3.85Å; M119-L167 HydrophobicContact CG-CD1 3.46Å; M119-L167 VanDerWaalsContact CG-CD1 3.46Å; M119-L167 HydrophobicContact CG-CG 4.26Å; L163-L167 WeakPolarHBondContact O-CB 3.32Å; L163-L167 PolarHBondContact O-N 3.02Å; L167-S169 VanDerWaalsContact C-N 3.31Å; L167-S169 PolarHBondContact O-N 2.99Å; L167-M170 WeakPolarHBondContact O-CB 3.42Å; L167-M170 PolarHBondContact O-N 2.88Å |
| 168 | L | 96.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 179.9 | -71.2 | 173.8 | 0 | 0 | 0 | 112 | Y8 I48 L58 F164 Q165 E166 M170 D171 L176 L178 | Y8-L168 HydrophobicContact CD1-CD2 3.68Å; Y8-L168 HydrophobicContact CE1-CD2 3.73Å; I48-L168 HydrophobicContact CD1-CD1 3.99Å; I48-L168 HydrophobicContact CD1-CD2 3.87Å; L58-L168 HydrophobicContact CD1-CD2 4.19Å; F164-L168 WeakPolarHBondContact O-CB 3.22Å; F164-L168 WeakPolarHBondContact O-CD1 3.39Å; F164-L168 WeakPolarHBondContact O-CG 3.5Å; F164-L168 PolarHBondContact O-N 3.18Å; F164-L168 VanDerWaalsContact O-N 3.08Å; Q165-L168 PolarHBondContact O-N 2.97Å; E166-L168 VanDerWaalsContact C-N 3.32Å; E166-L168 PolarHBondContact O-N 3.02Å; L168-M170 VanDerWaalsContact C-N 3.26Å; L168-M170 PolarHBondContact O-N 3.13Å; L168-D171 PolarHBondContact O-N 2.9Å; L168-L176 HydrophobicContact CB-CB 3.89Å; L168-L176 HydrophobicContact CD2-CB 4.1Å; L168-L176 HydrophobicContact CD2-CD1 3.84Å; L168-L176 HydrophobicContact CG-CB 4.44Å; L168-L178 HydrophobicContact CD1-CD2 3.48Å; L168-L178 VanDerWaalsContact CD1-CD2 3.48Å; L168-L178 HydrophobicContact CD1-CG 4.13Å |
| 169 | S | 95 | Very high | 93.8 | Very high | 87 Ų | 87 | 56.5 Ų | 56.5 | 61% | 0.608 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -70.8 | -19.5 | 178.6 | 77.1 | 0 | 0 | 0 | 0 | 113.9 | Q165 E166 L167 D171 | Q165-S169 WeakPolarHBondContact O-CB 3.37Å; Q165-S169 PolarHBondContact O-N 3.29Å; E166-S169 PolarHBondContact O-N 3.19Å; E166-S169 VanDerWaalsContact O-N 3.09Å; E166-S169 PolarHBondContact O-OG 3.08Å; L167-S169 VanDerWaalsContact C-N 3.31Å; L167-S169 PolarHBondContact O-N 2.99Å; S169-D171 VanDerWaalsContact C-N 3.29Å; S169-D171 PolarHBondContact O-N 2.79Å |
| 170 | M | 95.4 | Very high | 92 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 29% | 0.286 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -17.9 | 176.3 | -67.6 | 170.6 | 74.7 | 0 | 0 | 112.9 | P117 M119 E166 L167 L168 R172 | P117-M170 HydrophobicContact CB-CB 3.88Å; P117-M170 HydrophobicContact CG-CB 4.16Å; M119-M170 HydrophobicContact CG-SD 4.17Å; M119-M170 HydrophobicContact SD-SD 3.7Å; E166-M170 WeakPolarHBondContact O-CG 3.3Å; E166-M170 PolarHBondContact O-N 3.11Å; L167-M170 WeakPolarHBondContact O-CB 3.42Å; L167-M170 PolarHBondContact O-N 2.88Å; L168-M170 VanDerWaalsContact C-N 3.26Å; L168-M170 PolarHBondContact O-N 3.13Å; M170-R172 PolarHBondContact O-N 2.86Å |
| 171 | D | 93.6 | Very high | 89.9 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | trans | -71.6 | 115.8 | 178.8 | -162.6 | -67.8 | 0 | 0 | 0 | 111.1 | Y8 P117 L168 S169 R173 R174 L176 | Y8-D171 HydrophobicContact CE2-CB 4.32Å; Y8-D171 WeakPolarHBondContact CE2-OD2 3.31Å; Y8-D171 WeakPolarHBondContact OH-CB 3.32Å; Y8-D171 PolarHBondContact OH-OD2 2.9Å; P117-D171 HydrophobicContact CG-CB 4.18Å; L168-D171 PolarHBondContact O-N 2.9Å; S169-D171 VanDerWaalsContact C-N 3.29Å; S169-D171 PolarHBondContact O-N 2.79Å; D171-R173 VanDerWaalsContact C-N 3.35Å; D171-R173 WeakPolarHBondContact OD1-CA 3.18Å; D171-R173 VanDerWaalsContact OD1-CB 3.31Å; D171-R173 WeakPolarHBondContact OD1-CB 3.33Å; D171-R173 PolarHBondContact OD1-N 3.27Å; D171-R173 IonicContact OD1-NE 3.98Å; D171-R173 IonicContact OD2-NH2 2.87Å; D171-R174 VanDerWaalsContact O-O 3.1Å; D171-R174 PolarHBondContact OD1-N 2.89Å; D171-L176 HydrophobicContact CB-CD1 4.08Å | ||
| 172 | R | 90 | Very high | 87.4 | Confident | 191 Ų | 191 | 64.6 Ų | 64.6 | 72% | 0.721 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -81.6 | -14.7 | -178.7 | -62.9 | 177.2 | 179 | 171.2 | -1.7 | 113.6 | E115 M170 | E115-R172 VanDerWaalsContact CD-NH1 3.27Å; E115-R172 IonicContact OE1-NH1 2.93Å; E115-R172 PolarHBondContact OE1-NH1 3.43Å; E115-R172 WeakPolarHBondContact OE2-CD 3.28Å; E115-R172 IonicContact OE2-CZ 3.68Å; E115-R172 IonicContact OE2-NE 3.98Å; E115-R172 IonicContact OE2-NH1 3.76Å; E115-R172 PolarHBondContact OE2-NH1 3.08Å; M170-R172 PolarHBondContact O-N 2.86Å |
| 173 | R | 88.3 | Confident | 85 | Confident | 129 Ų | 129 | 63.9 Ų | 63.9 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -91.3 | -30.1 | -175 | -58.6 | 174.8 | -69.7 | -158.4 | -8.7 | 111.6 | E111 D171 | E111-R173 IonicContact OE1-NH1 3.81Å; E111-R173 PolarHBondContact OE1-NH1 3.25Å; E111-R173 IonicContact OE2-NH1 2.88Å; D171-R173 VanDerWaalsContact C-N 3.35Å; D171-R173 WeakPolarHBondContact OD1-CA 3.18Å; D171-R173 VanDerWaalsContact OD1-CB 3.31Å; D171-R173 WeakPolarHBondContact OD1-CB 3.33Å; D171-R173 PolarHBondContact OD1-N 3.27Å; D171-R173 IonicContact OD1-NE 3.98Å; D171-R173 IonicContact OD2-NH2 2.87Å |
| 174 | R | 89.8 | Confident | 82.3 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 25% | 0.249 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -131.1 | 134.6 | -177.8 | -58.8 | -178.2 | -174.8 | 178.7 | 2.9 | 110.2 | N6 D7 D171 L176 | N6-R174 PolarHBondContact O-NH1 3.07Å; N6-R174 VanDerWaalsContact O-NH1 3.1Å; D7-R174 PolarHBondContact O-NH1 3.29Å; D171-R174 VanDerWaalsContact O-O 3.1Å; D171-R174 PolarHBondContact OD1-N 2.89Å; R174-L176 HydrophobicContact CB-CD1 4.2Å; R174-L176 HydrophobicContact CB-CD2 3.93Å; R174-L176 HydrophobicContact CB-CG 3.84Å; R174-L176 PolarHBondContact O-N 2.84Å |
| 175 | K | 91.7 | Very high | 79.2 | Confident | 146 Ų | 146 | 83.1 Ų | 83.1 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | trans | -82.7 | 98.6 | 170.6 | -65.7 | -175 | 178.5 | -176.4 | 0 | 109.2 | C50 N51 | C50-K175 CarbonylContact C-O 3.37Å; C50-K175 WeakPolarHBondContact CA-O 3.39Å; N51-K175 PolarHBondContact N-O 2.96Å; N51-K175 PolarHBondContact OD1-N 3.16Å | ||
| 176 | L | 93.1 | Very high | 76.4 | Confident | 16 Ų | 16 | 85.5 Ų | 85.5 | 8% | 0.084 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 142.7 | -174.6 | -59.6 | 168.6 | 0 | 0 | 0 | 111 | Y8 I48 S49 C50 L168 D171 R174 | Y8-L176 HydrophobicContact CD1-CD1 3.98Å; Y8-L176 HydrophobicContact CD2-CD1 3.48Å; Y8-L176 VanDerWaalsContact CD2-CD1 3.48Å; Y8-L176 HydrophobicContact CE1-CD1 3.88Å; Y8-L176 HydrophobicContact CE2-CD1 3.37Å; Y8-L176 HydrophobicContact CG-CD1 3.77Å; I48-L176 HydrophobicContact CD1-CB 4.43Å; I48-L176 HydrophobicContact CD1-CD2 4.12Å; S49-L176 WeakPolarHBondContact O-CA 3.08Å; C50-L176 HydrophobicContact CB-CD2 4.03Å; L168-L176 HydrophobicContact CB-CB 3.89Å; L168-L176 HydrophobicContact CD2-CB 4.1Å; L168-L176 HydrophobicContact CD2-CD1 3.84Å; L168-L176 HydrophobicContact CG-CB 4.44Å; D171-L176 HydrophobicContact CB-CD1 4.08Å; R174-L176 HydrophobicContact CB-CD1 4.2Å; R174-L176 HydrophobicContact CB-CD2 3.93Å; R174-L176 HydrophobicContact CB-CG 3.84Å; R174-L176 PolarHBondContact O-N 2.84Å |
| 177 | S | 91.4 | Very high | 73.8 | Confident | 29 Ų | 29 | 89.4 Ų | 89.4 | 20% | 0.203 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 145.1 | 174.6 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | I48 S49 T179 | I48-S177 WeakPolarHBondContact CB-O 3.48Å; S49-S177 PolarHBondContact N-O 2.82Å; S49-S177 PolarHBondContact O-N 2.69Å; S177-T179 VanDerWaalsContact C-N 3.33Å; S177-T179 PolarHBondContact O-N 3.31Å; S177-T179 PolarHBondContact OG-N 2.93Å; S177-T179 PolarHBondContact OG-OG1 2.79Å |
| 178 | L | 90.5 | Very high | 71 | Confident | 28 Ų | 28 | 98.1 Ų | 98.1 | 15% | 0.147 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -69.4 | -27.8 | 176.8 | -64.8 | -171.6 | 0 | 0 | 0 | 113.8 | F27 I48 K161 F164 Q165 L168 | F27-L178 HydrophobicContact CE2-CD1 3.61Å; F27-L178 HydrophobicContact CE2-CD2 4.2Å; F27-L178 HydrophobicContact CZ-CD1 3.98Å; F27-L178 HydrophobicContact CZ-CD2 3.67Å; F27-L178 HydrophobicContact CZ-CG 4.49Å; I48-L178 HydrophobicContact CG2-CD2 3.87Å; K161-L178 HydrophobicContact CG-CD1 3.71Å; F164-L178 HydrophobicContact CB-CD1 4.2Å; F164-L178 HydrophobicContact CB-CD2 4.42Å; Q165-L178 HydrophobicContact CG-CB 4.3Å; Q165-L178 HydrophobicContact CG-CD1 3.44Å; Q165-L178 VanDerWaalsContact CG-CD1 3.44Å; Q165-L178 HydrophobicContact CG-CG 3.74Å; L168-L178 HydrophobicContact CD1-CD2 3.48Å; L168-L178 VanDerWaalsContact CD1-CD2 3.48Å; L168-L178 HydrophobicContact CD1-CG 4.13Å |
| 179 | T | 74.9 | Confident | 68.6 | Low | 39 Ų | 39 | 106.4 Ų | 106.4 | 24% | 0.239 | 50% | 0.5 | C | S | . | . | trans | -94.1 | 121.9 | -175.9 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | S177 D181 | S177-T179 VanDerWaalsContact C-N 3.33Å; S177-T179 PolarHBondContact O-N 3.31Å; S177-T179 PolarHBondContact OG-N 2.93Å; S177-T179 PolarHBondContact OG-OG1 2.79Å; T179-D181 PolarHBondContact O-N 3.08Å | ||
| 180 | M | 61.4 | Low | 66.2 | Low | 73 Ų | 73 | 107.9 Ų | 107.9 | 36% | 0.36 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -70.5 | -10.9 | 167.1 | -70.7 | -68.1 | -74.2 | 0 | 0 | 112.5 | V55 E182 I183 | V55-M180 HydrophobicContact CG1-CE 3.18Å; V55-M180 HydrophobicContact CG1-SD 3.54Å; V55-M180 VanDerWaalsContact CG1-SD 3.54Å; M180-E182 PolarHBondContact O-N 3.16Å; M180-E182 VanDerWaalsContact O-N 3.08Å; M180-I183 HydrophobicContact CE-CD1 3.36Å; M180-I183 WeakPolarHBondContact O-CB 3.27Å; M180-I183 PolarHBondContact O-N 3.35Å; M180-I183 HydrophobicContact SD-CD1 3.64Å |
| 181 | D | 52.9 | Low | 63.9 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 65% | 0.647 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -65 | -15.5 | -169.5 | -65.4 | -39.2 | 0 | 0 | 0 | 114.6 | T179 I183 | T179-D181 PolarHBondContact O-N 3.08Å; D181-I183 VanDerWaalsContact C-N 3.28Å; D181-I183 PolarHBondContact O-N 2.69Å |
| 182 | E | 44.6 | Very low | 61.7 | Low | 133 Ų | 133 | 124.1 Ų | 124.1 | 62% | 0.621 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -72.9 | -18.2 | 171.6 | -67 | -168.3 | 161.3 | 0 | 0 | 113.5 | M180 R184 | M180-E182 PolarHBondContact O-N 3.16Å; M180-E182 VanDerWaalsContact O-N 3.08Å; E182-R184 PolarHBondContact O-N 3.43Å |
| 183 | I | 48.6 | Very low | 59.6 | Low | 63 Ų | 63 | 120.7 Ų | 120.7 | 32% | 0.323 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -74.2 | -16.3 | -179.4 | -65.6 | 162.4 | 0 | 0 | 0 | 111.8 | K52 M180 D181 | K52-I183 WeakPolarHBondContact O-CD1 3.44Å; K52-I183 WeakPolarHBondContact O-CG1 3.47Å; M180-I183 HydrophobicContact CE-CD1 3.36Å; M180-I183 WeakPolarHBondContact O-CB 3.27Å; M180-I183 PolarHBondContact O-N 3.35Å; M180-I183 HydrophobicContact SD-CD1 3.64Å; D181-I183 VanDerWaalsContact C-N 3.28Å; D181-I183 PolarHBondContact O-N 2.69Å |
| 184 | R | 40.7 | Very low | 57.7 | Low | 217 Ų | 217 | 119.7 Ų | 119.7 | 82% | 0.819 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -106.4 | 6.6 | -169.9 | -70.6 | -173.3 | 177.3 | 178.6 | 0.8 | 116.4 | E182 P186 | E182-R184 PolarHBondContact O-N 3.43Å; R184-P186 WeakPolarHBondContact O-CD 3.19Å |
| 185 | K | 33.6 | Very low | 56 | Low | 189 Ų | 189 | 122.1 Ų | 122.1 | 82% | 0.822 | 62% | 0.62 | S | S | * | * | trans | -98 | 104.2 | 169.6 | -74.4 | -172.5 | 178.9 | 178.7 | 0 | 110.1 | ||||
| 186 | P | 38.6 | Very low | 53.8 | Low | 114 Ų | 114 | 122.4 Ų | 122.4 | 74% | 0.74 | 63% | 0.627 | S | S | * | * | trans | -66.4 | 135.7 | 167.8 | 9.7 | 1.8 | 0 | 0 | 0 | 108.5 | R184 M188 | R184-P186 WeakPolarHBondContact O-CD 3.19Å; P186-M188 PolarHBondContact O-N 3.24Å | ||
| 187 | E | 42.3 | Very low | 51.7 | Low | 166 Ų | 166 | 131.6 Ų | 131.6 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | trans | -55.6 | 104.1 | 164.1 | -73.4 | -177.4 | 165.4 | 0 | 0 | 108.8 | K189 | E187-K189 PolarHBondContact O-N 3.03Š| ||
| 188 | M | 39.5 | Very low | 49.7 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | trans | -68.5 | 89.5 | 161.9 | -82.9 | -179.6 | 73.5 | 0 | 0 | 107.8 | P186 S190 | P186-M188 PolarHBondContact O-N 3.24Å; M188-S190 PolarHBondContact O-N 3.39Å; M188-S190 VanDerWaalsContact O-N 3.14Å | ||
| 189 | K | 44.7 | Very low | 47.6 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | trans | -67.8 | 104.1 | 160.7 | -75.5 | -175.9 | 178.2 | 177.1 | 0 | 107.8 | E187 K191 | E187-K189 PolarHBondContact O-N 3.03Å; K189-K191 PolarHBondContact O-N 3.11Å; K189-K191 VanDerWaalsContact O-N 3.08Å | ||
| 190 | S | 43.9 | Very low | 46.1 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -63.8 | 109.5 | 166.1 | 59.3 | 0 | 0 | 0 | 0 | 108.4 | M188 K192 | M188-S190 PolarHBondContact O-N 3.39Å; M188-S190 VanDerWaalsContact O-N 3.14Å; S190-K192 PolarHBondContact O-N 3Å | ||
| 191 | K | 48.3 | Very low | 45.2 | Very low | 202 Ų | 202 | 152.6 Ų | 152.6 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -66.2 | 123.1 | 167 | -82.2 | -177.4 | 173.6 | 179.3 | 0 | 107.7 | K189 C193 | K189-K191 PolarHBondContact O-N 3.11Å; K189-K191 VanDerWaalsContact O-N 3.08Å; K191-C193 PolarHBondContact O-N 3.35Å | ||
| 192 | K | 47 | Very low | 44.7 | Very low | 207 Ų | 207 | 154.6 Ų | 154.6 | 90% | 0.9 | 81% | 0.807 | S | S | * | * | trans | -50.1 | 122 | 162.7 | -89.1 | 178.6 | 170.8 | 179.9 | 0 | 108.8 | S190 C194 | S190-K192 PolarHBondContact O-N 3Å; K192-C194 PolarHBondContact O-N 3.1Å | ||
| 193 | C | 45.7 | Very low | 44.7 | Very low | 119 Ų | 119 | 156.1 Ų | 156.1 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -74.6 | 112.6 | 163.4 | -152 | 0 | 0 | 0 | 0 | 107.1 | K191 | K191-C193 PolarHBondContact O-N 3.35Š| ||
| 194 | C | 48.8 | Very low | 44.4 | Very low | 107 Ų | 107 | 162.7 Ų | 162.7 | 72% | 0.723 | 86% | 0.855 | S | S | * | * | trans | -95.5 | 103.5 | 166.7 | -151.6 | 0 | 0 | 0 | 0 | 105.4 | K192 L196 | K192-C194 PolarHBondContact O-N 3.1Å; C194-L196 PolarHBondContact O-N 2.94Å | ||
| 195 | C | 53.6 | Low | 44.7 | Very low | 118 Ų | 118 | 158.5 Ų | 158.5 | 80% | 0.797 | 86% | 0.857 | S | S | * | * | trans | -84.5 | 105.1 | 163.9 | -70.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 196 | L | 45.9 | Very low | 45.6 | Very low | 152 Ų | 152 | 156 Ų | 156 | 80% | 0.796 | 86% | 0.86 | S | S | * | * | trans | -79.3 | 121.8 | 156 | -83 | 110 | 0 | 0 | 0 | 107.9 | C194 | C194-L196 PolarHBondContact O-N 2.94Š| ||
| 197 | C | 49.2 | Very low | 46.2 | Very low | 209 Ų | 209 | 159.8 Ų | 159.8 | 100% | 1.412 | 87% | 0.871 | S | S | * | * | trans | -173.2 | 0 | 134.7 | -91.7 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 197 of 197 residues in 112.4 ms
(Link to these results)