| 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 | 42.9 | Very low | 49.3 | Very low | 208 Ų | 208 | 95.1 Ų | 95.1 | 100% | 1.025 | 43% | 0.425 | S | S | * | . | 0 | 13.5 | 0 | -151.5 | -175.7 | -79.9 | 0 | 0 | 112.3 | W4 | M1-W4 PolarHBondContact O-NE1 2.81Š| |||
| 2 | M | 42 | Very low | 50.1 | Low | 111 Ų | 111 | 93.8 Ų | 93.8 | 55% | 0.547 | 42% | 0.424 | S | S | . | . | trans | -109.3 | -24.3 | 176.4 | -97.4 | -89.1 | 176.1 | 0 | 0 | 110.6 | W4 I5 Y6 | M2-W4 PolarHBondContact O-N 3.41Å; M2-I5 WeakPolarHBondContact O-CB 3.34Å; M2-I5 PolarHBondContact O-N 2.72Å; M2-I5 VanDerWaalsContact O-N 3.16Å; M2-Y6 HydrophobicContact CB-CD2 4.45Å; M2-Y6 HydrophobicContact CB-CE2 3.97Å; M2-Y6 HydrophobicContact CG-CE2 4.49Å; M2-Y6 WeakPolarHBondContact O-CD2 3.48Å; M2-Y6 HydrophobicContact SD-CE2 3.82Å | ||
| 3 | D | 48.3 | Very low | 50.8 | Low | 61 Ų | 61 | 88.7 Ų | 88.7 | 33% | 0.326 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.5 | -35.2 | -170.5 | -47.9 | -48.7 | 0 | 0 | 0 | 114.9 | I5 Y6 Q7 | D3-I5 VanDerWaalsContact C-N 3.31Å; D3-I5 PolarHBondContact O-N 3.24Å; D3-Y6 PolarHBondContact O-N 2.84Å; D3-Y6 VanDerWaalsContact O-N 3.12Å; D3-Q7 PolarHBondContact O-N 2.58Å |
| 4 | W | 43.3 | Very low | 51.4 | Low | 159 Ų | 159 | 85.9 Ų | 85.9 | 60% | 0.602 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.6 | -41.2 | 174.6 | 71.2 | -36.3 | 0 | 0 | 0 | 112.1 | M1 M2 Y6 Q7 W8 | M1-W4 PolarHBondContact O-NE1 2.81Å; M2-W4 PolarHBondContact O-N 3.41Å; W4-Y6 VanDerWaalsContact C-N 3.26Å; W4-Y6 PolarHBondContact O-N 2.85Å; W4-Q7 PolarHBondContact O-N 3.12Å; W4-W8 WeakPolarHBondContact O-CB 3.32Å; W4-W8 PolarHBondContact O-N 2.93Å |
| 5 | I | 47.1 | Very low | 51.7 | Low | 73 Ų | 73 | 88.5 Ų | 88.5 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 178.3 | -70.2 | 161.2 | 0 | 0 | 0 | 109.1 | M2 D3 W8 I9 | M2-I5 WeakPolarHBondContact O-CB 3.34Å; M2-I5 PolarHBondContact O-N 2.72Å; M2-I5 VanDerWaalsContact O-N 3.16Å; D3-I5 VanDerWaalsContact C-N 3.31Å; D3-I5 PolarHBondContact O-N 3.24Å; I5-W8 CarbonylContact O-C 3.55Å; I5-W8 WeakPolarHBondContact O-CB 3.31Å; I5-W8 PolarHBondContact O-N 3.49Å; I5-I9 HydrophobicContact CG2-CD1 3.71Å; I5-I9 HydrophobicContact CG2-CG1 4.36Å; I5-I9 WeakPolarHBondContact O-CD1 3.44Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-I9 PolarHBondContact O-N 2.78Å |
| 6 | Y | 49.6 | Very low | 51.7 | Low | 21 Ų | 21 | 86.7 Ų | 86.7 | 8% | 0.082 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -74.6 | -37.8 | -179 | -63.1 | -70.3 | 0 | 0 | 0 | 114 | M2 D3 W4 W8 I9 I10 Q52 F221 | M2-Y6 HydrophobicContact CB-CD2 4.45Å; M2-Y6 HydrophobicContact CB-CE2 3.97Å; M2-Y6 HydrophobicContact CG-CE2 4.49Å; M2-Y6 WeakPolarHBondContact O-CD2 3.48Å; M2-Y6 HydrophobicContact SD-CE2 3.82Å; D3-Y6 PolarHBondContact O-N 2.84Å; D3-Y6 VanDerWaalsContact O-N 3.12Å; W4-Y6 VanDerWaalsContact C-N 3.26Å; W4-Y6 PolarHBondContact O-N 2.85Å; Y6-W8 VanDerWaalsContact C-N 3.32Å; Y6-I9 HydrophobicContact CD1-CD1 3.8Å; Y6-I9 HydrophobicContact CE1-CD1 4.28Å; Y6-I9 WeakPolarHBondContact O-CB 3.48Å; Y6-I9 PolarHBondContact O-N 3.44Å; Y6-I9 VanDerWaalsContact O-N 3.13Å; Y6-I10 PolarHBondContact O-N 2.83Å; Y6-Q52 HydrophobicContact CE1-CB 4.14Å; Y6-Q52 HydrophobicContact CE1-CG 4.45Å; Y6-Q52 PolarHBondContact OH-OE1 3.04Å; Y6-Q52 VanDerWaalsContact OH-OE1 3.07Å; Y6-F221 VanDerWaalsContact CB-CD1 3.43Å; Y6-F221 HydrophobicContact CD1-CD1 4.04Å; Y6-F221 AromaticContact CD1-CE1 3.34Å; Y6-F221 HydrophobicContact CD1-CE1 3.34Å; Y6-F221 AromaticContact CD1-CZ 3.65Å; Y6-F221 HydrophobicContact CD1-CZ 3.65Å; Y6-F221 AromaticContact CD2-CD1 3.94Å; Y6-F221 HydrophobicContact CD2-CD1 3.94Å; Y6-F221 AromaticContact CD2-CE1 3.42Å; Y6-F221 HydrophobicContact CD2-CE1 3.42Å; Y6-F221 VanDerWaalsContact CD2-CE1 3.42Å; Y6-F221 HydrophobicContact CD2-CZ 4.42Å; Y6-F221 AromaticContact CE1-CE1 3.74Å; Y6-F221 HydrophobicContact CE1-CE1 3.74Å; Y6-F221 AromaticContact CE1-CZ 3.8Å; Y6-F221 HydrophobicContact CE1-CZ 3.8Å; Y6-F221 AromaticContact CE2-CE1 3.79Å; Y6-F221 HydrophobicContact CE2-CE1 3.79Å; Y6-F221 AromaticContact CG-CD1 3.56Å; Y6-F221 HydrophobicContact CG-CD1 3.56Å; Y6-F221 AromaticContact CG-CE1 3.17Å; Y6-F221 HydrophobicContact CG-CE1 3.17Å; Y6-F221 AromaticContact CG-CZ 3.99Å; Y6-F221 HydrophobicContact CG-CZ 3.99Å; Y6-F221 AromaticContact CZ-CE1 3.95Å |
| 7 | Q | 49.4 | Very low | 51.8 | Low | 112 Ų | 112 | 82.4 Ų | 82.4 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 167.6 | -80.2 | -178.3 | -9.7 | 0 | 0 | 111.2 | D3 W4 I9 I10 Y11 | D3-Q7 PolarHBondContact O-N 2.58Å; W4-Q7 PolarHBondContact O-N 3.12Å; Q7-I9 VanDerWaalsContact C-N 3.28Å; Q7-I9 PolarHBondContact O-N 3.04Å; Q7-I10 PolarHBondContact O-N 3.21Å; Q7-Y11 WeakPolarHBondContact O-CB 3.29Å; Q7-Y11 PolarHBondContact O-N 3.3Å |
| 8 | W | 52.4 | Low | 51.8 | Low | 150 Ų | 150 | 78.3 Ų | 78.3 | 57% | 0.568 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.1 | -34.8 | 171.8 | -82.4 | 110.7 | 0 | 0 | 0 | 112.1 | W4 I5 Y6 Y11 L12 | W4-W8 WeakPolarHBondContact O-CB 3.32Å; W4-W8 PolarHBondContact O-N 2.93Å; I5-W8 CarbonylContact O-C 3.55Å; I5-W8 WeakPolarHBondContact O-CB 3.31Å; I5-W8 PolarHBondContact O-N 3.49Å; Y6-W8 VanDerWaalsContact C-N 3.32Å; W8-Y11 HydrophobicContact CE3-CD1 4.26Å; W8-Y11 HydrophobicContact CZ3-CD1 4.24Å; W8-Y11 CarbonylContact O-C 3.45Å; W8-Y11 PolarHBondContact O-N 2.65Å; W8-L12 WeakPolarHBondContact O-CA 3.3Å; W8-L12 WeakPolarHBondContact O-CB 3.22Å; W8-L12 WeakPolarHBondContact O-CD1 3.31Å; W8-L12 WeakPolarHBondContact O-CG 3.46Å; W8-L12 PolarHBondContact O-N 2.86Å |
| 9 | I | 53.1 | Low | 51.7 | Low | 13 Ų | 13 | 77.3 Ų | 77.3 | 7% | 0.067 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 178.1 | -72.2 | 163.4 | 0 | 0 | 0 | 111.2 | I5 Y6 Q7 Y11 L12 I13 H49 | I5-I9 HydrophobicContact CG2-CD1 3.71Å; I5-I9 HydrophobicContact CG2-CG1 4.36Å; I5-I9 WeakPolarHBondContact O-CD1 3.44Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-I9 PolarHBondContact O-N 2.78Å; Y6-I9 HydrophobicContact CD1-CD1 3.8Å; Y6-I9 HydrophobicContact CE1-CD1 4.28Å; Y6-I9 WeakPolarHBondContact O-CB 3.48Å; Y6-I9 PolarHBondContact O-N 3.44Å; Y6-I9 VanDerWaalsContact O-N 3.13Å; Q7-I9 VanDerWaalsContact C-N 3.28Å; Q7-I9 PolarHBondContact O-N 3.04Å; I9-Y11 VanDerWaalsContact C-N 3.32Å; I9-L12 PolarHBondContact O-N 3.12Å; I9-I13 HydrophobicContact CG2-CD1 3.95Å; I9-I13 WeakPolarHBondContact O-CB 3.26Å; I9-I13 VanDerWaalsContact O-CG1 3.23Å; I9-I13 WeakPolarHBondContact O-CG1 3.41Å; I9-I13 PolarHBondContact O-N 3Å; I9-H49 WeakPolarHBondContact CD1-CE1 3.49Å; I9-H49 WeakPolarHBondContact CD1-ND1 3.42Å; I9-H49 WeakPolarHBondContact CG1-CE1 3.45Å; I9-H49 WeakPolarHBondContact CG1-ND1 3.49Å; I9-H49 HydrophobicContact CG2-CB 3.88Å; I9-H49 VanDerWaalsContact CG2-CG 3.4Å |
| 10 | I | 55.5 | Low | 51.3 | Low | 16 Ų | 16 | 74.7 Ų | 74.7 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66 | -40.2 | 175.5 | -72 | 156.2 | 0 | 0 | 0 | 110 | Y6 Q7 L12 I13 I14 I164 F221 F222 | Y6-I10 PolarHBondContact O-N 2.83Å; Q7-I10 PolarHBondContact O-N 3.21Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.39Å; I10-I13 PolarHBondContact O-N 3.12Å; I10-I14 HydrophobicContact CG2-CD1 3.66Å; I10-I14 HydrophobicContact CG2-CG1 4.36Å; I10-I14 WeakPolarHBondContact O-CB 3.49Å; I10-I14 VanDerWaalsContact O-CG1 3.22Å; I10-I14 WeakPolarHBondContact O-CG1 3.17Å; I10-I14 PolarHBondContact O-N 3.23Å; I10-I164 HydrophobicContact CG1-CD1 4.18Å; I10-I164 HydrophobicContact CG2-CD1 3.94Å; I10-F221 HydrophobicContact CD1-CB 4.13Å; I10-F222 HydrophobicContact CD1-CE1 3.99Å; I10-F222 HydrophobicContact CD1-CE2 3.79Å; I10-F222 HydrophobicContact CD1-CZ 3.49Å; I10-F222 VanDerWaalsContact CD1-CZ 3.49Å; I10-F222 HydrophobicContact CG1-CZ 4.18Å; I10-F222 HydrophobicContact CG2-CE1 4Å; I10-F222 HydrophobicContact CG2-CZ 3.76Å |
| 11 | Y | 59.1 | Low | 51.1 | Low | 122 Ų | 122 | 73 Ų | 73 | 48% | 0.478 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 173.4 | -169.4 | -89.7 | 0 | 0 | 0 | 111.7 | Q7 W8 I9 Y15 | Q7-Y11 WeakPolarHBondContact O-CB 3.29Å; Q7-Y11 PolarHBondContact O-N 3.3Å; W8-Y11 HydrophobicContact CE3-CD1 4.26Å; W8-Y11 HydrophobicContact CZ3-CD1 4.24Å; W8-Y11 CarbonylContact O-C 3.45Å; W8-Y11 PolarHBondContact O-N 2.65Å; I9-Y11 VanDerWaalsContact C-N 3.32Å; Y11-Y15 HydrophobicContact CE1-CD2 4.01Å; Y11-Y15 AromaticContact CE1-CG 3.9Å; Y11-Y15 HydrophobicContact CE1-CG 3.9Å; Y11-Y15 AromaticContact CZ-CD2 3.89Å; Y11-Y15 WeakPolarHBondContact O-CA 3.41Å; Y11-Y15 WeakPolarHBondContact O-CB 3.31Å; Y11-Y15 PolarHBondContact O-N 3.34Å |
| 12 | L | 58.2 | Low | 51.2 | Low | 79 Ų | 79 | 68.1 Ų | 68.1 | 41% | 0.414 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -72.7 | -37.1 | 175.2 | -76 | 163.7 | 0 | 0 | 0 | 111 | W8 I9 I10 N16 | W8-L12 WeakPolarHBondContact O-CA 3.3Å; W8-L12 WeakPolarHBondContact O-CB 3.22Å; W8-L12 WeakPolarHBondContact O-CD1 3.31Å; W8-L12 WeakPolarHBondContact O-CG 3.46Å; W8-L12 PolarHBondContact O-N 2.86Å; I9-L12 PolarHBondContact O-N 3.12Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 3.39Å; L12-N16 WeakPolarHBondContact CD2-ND2 3.23Å; L12-N16 WeakPolarHBondContact O-CA 2.81Å; L12-N16 WeakPolarHBondContact O-CB 3.08Å; L12-N16 PolarHBondContact O-N 2.8Å; L12-N16 PolarHBondContact O-ND2 3.38Å |
| 13 | I | 59.6 | Low | 51.3 | Low | 28 Ų | 28 | 66.9 Ų | 66.9 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -47.3 | 172.2 | -72.5 | 168.6 | 0 | 0 | 0 | 109 | I9 I10 I17 L105 | I9-I13 HydrophobicContact CG2-CD1 3.95Å; I9-I13 WeakPolarHBondContact O-CB 3.26Å; I9-I13 VanDerWaalsContact O-CG1 3.23Å; I9-I13 WeakPolarHBondContact O-CG1 3.41Å; I9-I13 PolarHBondContact O-N 3Å; I10-I13 PolarHBondContact O-N 3.12Å; I13-I17 HydrophobicContact CB-CD1 4.22Å; I13-I17 HydrophobicContact CG1-CD1 4.35Å; I13-I17 HydrophobicContact CG2-CD1 3.9Å; I13-I17 WeakPolarHBondContact O-CA 3.42Å; I13-I17 WeakPolarHBondContact O-CB 3.21Å; I13-I17 WeakPolarHBondContact O-CG1 3.48Å; I13-I17 PolarHBondContact O-N 3.21Å; I13-I17 VanDerWaalsContact O-N 3.09Å; I13-L105 HydrophobicContact CG2-CD1 4.25Å |
| 14 | I | 59.2 | Low | 51 | Low | 50 Ų | 50 | 70.4 Ų | 70.4 | 26% | 0.256 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -70.1 | -51.2 | 179.1 | -64.9 | 169 | 0 | 0 | 0 | 110.4 | I10 V18 V19 L147 | I10-I14 HydrophobicContact CG2-CD1 3.66Å; I10-I14 HydrophobicContact CG2-CG1 4.36Å; I10-I14 WeakPolarHBondContact O-CB 3.49Å; I10-I14 VanDerWaalsContact O-CG1 3.22Å; I10-I14 WeakPolarHBondContact O-CG1 3.17Å; I10-I14 PolarHBondContact O-N 3.23Å; I14-V18 HydrophobicContact CG2-CB 4.4Å; I14-V18 HydrophobicContact CG2-CG2 4.43Å; I14-V18 WeakPolarHBondContact O-CA 3.35Å; I14-V18 WeakPolarHBondContact O-CB 3.02Å; I14-V18 PolarHBondContact O-N 3.1Å; I14-V19 PolarHBondContact O-N 2.98Å; I14-L147 HydrophobicContact CD1-CD1 4.1Å; I14-L147 HydrophobicContact CG1-CD1 3.95Å; I14-L147 HydrophobicContact CG1-CD2 4.28Å |
| 15 | Y | 56.6 | Low | 50.9 | Low | 124 Ų | 124 | 69 Ų | 69 | 49% | 0.486 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -77.2 | -28.8 | -172.3 | -162.7 | -89.7 | 0 | 0 | 0 | 114.1 | Y11 V19 P20 | Y11-Y15 HydrophobicContact CE1-CD2 4.01Å; Y11-Y15 AromaticContact CE1-CG 3.9Å; Y11-Y15 HydrophobicContact CE1-CG 3.9Å; Y11-Y15 AromaticContact CZ-CD2 3.89Å; Y11-Y15 WeakPolarHBondContact O-CA 3.41Å; Y11-Y15 WeakPolarHBondContact O-CB 3.31Å; Y11-Y15 PolarHBondContact O-N 3.34Å; Y15-V19 HydrophobicContact CD2-CG2 4.16Å; Y15-P20 WeakPolarHBondContact O-CD 3.42Å; Y15-P20 WeakPolarHBondContact O-CG 3.25Å |
| 16 | N | 51.3 | Low | 50.5 | Low | 60 Ų | 60 | 67.9 Ų | 67.9 | 32% | 0.321 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -94.7 | -21.1 | 174.7 | -63 | -70.2 | 0 | 0 | 0 | 114 | L12 P20 L40 | L12-N16 WeakPolarHBondContact CD2-ND2 3.23Å; L12-N16 WeakPolarHBondContact O-CA 2.81Å; L12-N16 WeakPolarHBondContact O-CB 3.08Å; L12-N16 PolarHBondContact O-N 2.8Å; L12-N16 PolarHBondContact O-ND2 3.38Å; N16-P20 VanDerWaalsContact C-CD 3.49Å; N16-P20 WeakPolarHBondContact O-CD 2.96Å; N16-P20 VanDerWaalsContact O-CG 3.32Å; N16-P20 WeakPolarHBondContact O-CG 3.44Å; N16-L40 HydrophobicContact CB-CD2 4.27Å |
| 17 | I | 53.5 | Low | 49.9 | Very low | 13 Ų | 13 | 72.4 Ų | 72.4 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -102.2 | -48.4 | -179.3 | -47.4 | 176.7 | 0 | 0 | 0 | 110.4 | I13 C21 L41 I95 L105 | I13-I17 HydrophobicContact CB-CD1 4.22Å; I13-I17 HydrophobicContact CG1-CD1 4.35Å; I13-I17 HydrophobicContact CG2-CD1 3.9Å; I13-I17 WeakPolarHBondContact O-CA 3.42Å; I13-I17 WeakPolarHBondContact O-CB 3.21Å; I13-I17 WeakPolarHBondContact O-CG1 3.48Å; I13-I17 PolarHBondContact O-N 3.21Å; I13-I17 VanDerWaalsContact O-N 3.09Å; I17-C21 WeakPolarHBondContact O-CB 3.04Å; I17-C21 PolarHBondContact O-N 2.85Å; I17-C21 PolarHBondContact O-SG 3.13Å; I17-L41 HydrophobicContact CD1-CD2 3.64Å; I17-L41 HydrophobicContact CG1-CD2 3.99Å; I17-I95 HydrophobicContact CG2-CD1 3.48Å; I17-I95 VanDerWaalsContact CG2-CD1 3.48Å; I17-I95 HydrophobicContact CG2-CG1 4.34Å; I17-L105 HydrophobicContact CG2-CD2 4.32Å |
| 18 | V | 51.6 | Low | 49.2 | Very low | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.055 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -82.2 | -45.4 | -170.7 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | I14 R22 I103 L147 | I14-V18 HydrophobicContact CG2-CB 4.4Å; I14-V18 HydrophobicContact CG2-CG2 4.43Å; I14-V18 WeakPolarHBondContact O-CA 3.35Å; I14-V18 WeakPolarHBondContact O-CB 3.02Å; I14-V18 PolarHBondContact O-N 3.1Å; V18-R22 WeakPolarHBondContact O-CB 3.19Å; V18-R22 VanDerWaalsContact O-CG 3.25Å; V18-R22 WeakPolarHBondContact O-CG 3.17Å; V18-R22 PolarHBondContact O-N 3.07Å; V18-I103 HydrophobicContact CB-CD1 3.85Å; V18-I103 HydrophobicContact CG1-CD1 3.27Å; V18-I103 HydrophobicContact CG2-CD1 3.72Å; V18-L147 HydrophobicContact CB-CD2 4.37Å; V18-L147 HydrophobicContact CG1-CD2 4.44Å; V18-L147 HydrophobicContact CG2-CD2 3.22Å |
| 19 | V | 49.5 | Very low | 48.4 | Very low | 59 Ų | 59 | 71.6 Ų | 71.6 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.2 | -44.3 | -177.1 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | I14 Y15 R22 T23 | I14-V19 PolarHBondContact O-N 2.98Å; Y15-V19 HydrophobicContact CD2-CG2 4.16Å; V19-R22 PolarHBondContact O-N 2.81Å; V19-T23 WeakPolarHBondContact O-CG2 3.44Å; V19-T23 PolarHBondContact O-N 2.92Å; V19-T23 PolarHBondContact O-OG1 2.79Å |
| 20 | P | 43.8 | Very low | 48.1 | Very low | 25 Ų | 25 | 77.3 Ų | 77.3 | 16% | 0.162 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -79.6 | -35.3 | -177.3 | -17.1 | 35.8 | 0 | 0 | 0 | 112.8 | Y15 N16 R22 T23 I26 | Y15-P20 WeakPolarHBondContact O-CD 3.42Å; Y15-P20 WeakPolarHBondContact O-CG 3.25Å; N16-P20 VanDerWaalsContact C-CD 3.49Å; N16-P20 WeakPolarHBondContact O-CD 2.96Å; N16-P20 VanDerWaalsContact O-CG 3.32Å; N16-P20 WeakPolarHBondContact O-CG 3.44Å; P20-R22 PolarHBondContact O-N 2.8Å; P20-T23 PolarHBondContact O-N 3.07Å; P20-I26 HydrophobicContact CB-CD1 3.48Å; P20-I26 VanDerWaalsContact CB-CD1 3.48Å; P20-I26 HydrophobicContact CB-CG1 4.35Å |
| 21 | C | 47.1 | Very low | 47.5 | Very low | 39 Ų | 39 | 79 Ų | 79 | 26% | 0.264 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.5 | -23.1 | 173.5 | -65.7 | 0 | 0 | 0 | 0 | 112.6 | I17 C37 | I17-C21 WeakPolarHBondContact O-CB 3.04Å; I17-C21 PolarHBondContact O-N 2.85Å; I17-C21 PolarHBondContact O-SG 3.13Å; C21-C37 WeakPolarHBondContact CA-SG 3.42Å; C21-C37 WeakPolarHBondContact CB-SG 3.5Å; C21-C37 WeakPolarHBondContact SG-CB 3.22Å; C21-C37 CovalentContact SG-SG 2.03Å; C21-C37 PolarHBondContact SG-SG 3.28Å |
| 22 | R | 44.4 | Very low | 47 | Very low | 106 Ų | 106 | 79.6 Ų | 79.6 | 40% | 0.4 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -85.5 | -22.2 | 177.5 | -80.4 | -172.9 | 169.7 | -144.7 | 5.1 | 115.4 | V18 V19 P20 G101 | V18-R22 WeakPolarHBondContact O-CB 3.19Å; V18-R22 VanDerWaalsContact O-CG 3.25Å; V18-R22 WeakPolarHBondContact O-CG 3.17Å; V18-R22 PolarHBondContact O-N 3.07Å; V19-R22 PolarHBondContact O-N 2.81Å; P20-R22 PolarHBondContact O-N 2.8Å; R22-G101 PolarHBondContact NH2-O 2.92Å |
| 23 | T | 45.7 | Very low | 46.2 | Very low | 86 Ų | 86 | 82.1 Ų | 82.1 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -111 | -37.7 | -160.7 | 49.2 | 0 | 0 | 0 | 0 | 115 | V19 P20 | V19-T23 WeakPolarHBondContact O-CG2 3.44Å; V19-T23 PolarHBondContact O-N 2.92Å; V19-T23 PolarHBondContact O-OG1 2.79Å; P20-T23 PolarHBondContact O-N 3.07Å |
| 24 | N | 40.5 | Very low | 45.3 | Very low | 134 Ų | 134 | 84.6 Ų | 84.6 | 72% | 0.717 | 44% | 0.437 | S | S | * | . | trans | -165.6 | 149.9 | -178.1 | -82.2 | -51.9 | 0 | 0 | 0 | 111.8 | I26 | N24-I26 PolarHBondContact O-N 2.88Š| ||
| 25 | E | 41.4 | Very low | 44.4 | Very low | 130 Ų | 130 | 84.6 Ų | 84.6 | 61% | 0.607 | 44% | 0.438 | S | S | * | . | trans | -50.1 | 107.5 | 159.8 | -66.9 | 174.9 | 154.2 | 0 | 0 | 108.6 | Y27 | E25-Y27 HydrophobicContact CB-CD2 4.12Å; E25-Y27 HydrophobicContact CB-CE2 3.52Å; E25-Y27 VanDerWaalsContact O-CD2 3.26Å; E25-Y27 WeakPolarHBondContact O-CD2 2.87Å; E25-Y27 PolarHBondContact O-N 2.7Å; E25-Y27 WeakPolarHBondContact OE2-CE2 3.25Å; E25-Y27 VanDerWaalsContact OE2-CZ 3.28Å; E25-Y27 PolarHBondContact OE2-OH 2.95Å | ||
| 26 | I | 39.9 | Very low | 43.9 | Very low | 50 Ų | 50 | 83 Ų | 83 | 26% | 0.256 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 114.3 | 173.9 | -51.4 | 174.1 | 0 | 0 | 0 | 105.2 | P20 N24 L35 L40 | P20-I26 HydrophobicContact CB-CD1 3.48Å; P20-I26 VanDerWaalsContact CB-CD1 3.48Å; P20-I26 HydrophobicContact CB-CG1 4.35Å; N24-I26 PolarHBondContact O-N 2.88Å; I26-L35 HydrophobicContact CB-CB 4.24Å; I26-L35 HydrophobicContact CB-CD1 4.36Å; I26-L35 HydrophobicContact CG2-CD1 3.79Å; I26-L35 WeakPolarHBondContact O-CA 3.46Å; I26-L35 WeakPolarHBondContact O-CB 3.49Å; I26-L35 PolarHBondContact O-N 2.92Å; I26-L40 HydrophobicContact CD1-CD1 3.44Å; I26-L40 VanDerWaalsContact CD1-CD1 3.44Å |
| 27 | Y | 36.8 | Very low | 43.4 | Very low | 115 Ų | 115 | 81.7 Ų | 81.7 | 45% | 0.451 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.4 | 174.8 | -74.7 | -92 | 0 | 0 | 0 | 109.5 | E25 M29 | E25-Y27 HydrophobicContact CB-CD2 4.12Å; E25-Y27 HydrophobicContact CB-CE2 3.52Å; E25-Y27 VanDerWaalsContact O-CD2 3.26Å; E25-Y27 WeakPolarHBondContact O-CD2 2.87Å; E25-Y27 PolarHBondContact O-N 2.7Å; E25-Y27 WeakPolarHBondContact OE2-CE2 3.25Å; E25-Y27 VanDerWaalsContact OE2-CZ 3.28Å; E25-Y27 PolarHBondContact OE2-OH 2.95Å; Y27-M29 PolarHBondContact O-N 2.8Å |
| 28 | N | 33.4 | Very low | 42.9 | Very low | 53 Ų | 53 | 85.4 Ų | 85.4 | 28% | 0.283 | 46% | 0.456 | S | S | . | . | trans | -66.9 | 115.8 | 165.7 | -174.3 | -6.3 | 0 | 0 | 0 | 108.2 | T30 S31 N32 Q33 L35 | N28-T30 PolarHBondContact O-N 3.2Å; N28-T30 PolarHBondContact OD1-N 3.17Å; N28-T30 VanDerWaalsContact OD1-N 3.14Å; N28-T30 PolarHBondContact OD1-OG1 2.85Å; N28-S31 WeakPolarHBondContact CB-OG 3.21Å; N28-S31 PolarHBondContact ND2-OG 2.81Å; N28-S31 PolarHBondContact O-N 2.79Å; N28-S31 VanDerWaalsContact O-N 3.1Å; N28-N32 PolarHBondContact O-N 2.93Å; N28-Q33 PolarHBondContact N-O 2.73Å; N28-L35 HydrophobicContact CB-CD1 3.83Å; N28-L35 HydrophobicContact CB-CD2 4.06Å; N28-L35 HydrophobicContact CB-CG 3.88Å | ||
| 29 | M | 37.3 | Very low | 42.5 | Very low | 193 Ų | 193 | 87.6 Ų | 87.6 | 95% | 0.951 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -18.9 | 179.2 | -77.6 | -166 | -178.9 | 0 | 0 | 113.1 | Y27 | Y27-M29 PolarHBondContact O-N 2.8Š|
| 30 | T | 45.5 | Very low | 42.3 | Very low | 132 Ų | 132 | 88.5 Ų | 88.5 | 81% | 0.81 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -21.9 | -180 | -10.8 | 0 | 0 | 0 | 0 | 114.3 | N28 | N28-T30 PolarHBondContact O-N 3.2Å; N28-T30 PolarHBondContact OD1-N 3.17Å; N28-T30 VanDerWaalsContact OD1-N 3.14Å; N28-T30 PolarHBondContact OD1-OG1 2.85Å |
| 31 | S | 43.9 | Very low | 42.6 | Very low | 52 Ų | 52 | 88.9 Ų | 88.9 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -6.1 | -173.1 | 78.5 | 0 | 0 | 0 | 0 | 115.8 | N28 Q33 | N28-S31 WeakPolarHBondContact CB-OG 3.21Å; N28-S31 PolarHBondContact ND2-OG 2.81Å; N28-S31 PolarHBondContact O-N 2.79Å; N28-S31 VanDerWaalsContact O-N 3.1Å; S31-Q33 PolarHBondContact O-N 2.77Å |
| 32 | N | 47.3 | Very low | 42.9 | Very low | 135 Ų | 135 | 91.2 Ų | 91.2 | 72% | 0.722 | 49% | 0.488 | S | S | * | . | trans | 50.9 | 19 | -175.4 | -92.4 | 1.7 | 0 | 0 | 0 | 114.2 | N28 | N28-N32 PolarHBondContact O-N 2.93Š| ||
| 33 | Q | 42.4 | Very low | 43.6 | Very low | 132 Ų | 132 | 88.8 Ų | 88.8 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | trans | -92.9 | 140.7 | 173.5 | -69.8 | 179.4 | -23.3 | 0 | 0 | 109.1 | N28 S31 L35 | N28-Q33 PolarHBondContact N-O 2.73Å; S31-Q33 PolarHBondContact O-N 2.77Å; Q33-L35 PolarHBondContact O-N 2.8Å; Q33-L35 VanDerWaalsContact O-N 3.07Å | ||
| 34 | P | 40.1 | Very low | 44.6 | Very low | 79 Ų | 79 | 90.5 Ų | 90.5 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 115.9 | 170 | 25.1 | -31.9 | 0 | 0 | 0 | 108.1 | T36 | P34-T36 VanDerWaalsContact C-N 3.34Å; P34-T36 PolarHBondContact O-N 3.03Å |
| 35 | L | 40.3 | Very low | 45.6 | Very low | 50 Ų | 50 | 88 Ų | 88 | 26% | 0.262 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 99.7 | 166.6 | -70 | 155.9 | 0 | 0 | 0 | 105.6 | I26 N28 Q33 C37 S39 | I26-L35 HydrophobicContact CB-CB 4.24Å; I26-L35 HydrophobicContact CB-CD1 4.36Å; I26-L35 HydrophobicContact CG2-CD1 3.79Å; I26-L35 WeakPolarHBondContact O-CA 3.46Å; I26-L35 WeakPolarHBondContact O-CB 3.49Å; I26-L35 PolarHBondContact O-N 2.92Å; N28-L35 HydrophobicContact CB-CD1 3.83Å; N28-L35 HydrophobicContact CB-CD2 4.06Å; N28-L35 HydrophobicContact CB-CG 3.88Å; Q33-L35 PolarHBondContact O-N 2.8Å; Q33-L35 VanDerWaalsContact O-N 3.07Å; L35-C37 PolarHBondContact O-N 2.79Å; L35-S39 VanDerWaalsContact CB-OG 3.31Å; L35-S39 WeakPolarHBondContact CB-OG 3.23Å; L35-S39 VanDerWaalsContact CD2-CB 3.47Å; L35-S39 WeakPolarHBondContact CD2-OG 3.35Å |
| 36 | T | 45.7 | Very low | 46.8 | Very low | 90 Ų | 90 | 82.3 Ų | 82.3 | 55% | 0.552 | 46% | 0.456 | S | S | * | . | trans | -52.6 | 140.5 | 158.4 | 52.8 | 0 | 0 | 0 | 0 | 107.1 | P34 N38 S39 | P34-T36 VanDerWaalsContact C-N 3.34Å; P34-T36 PolarHBondContact O-N 3.03Å; T36-N38 PolarHBondContact O-N 3.45Å; T36-S39 PolarHBondContact O-N 3.15Å; T36-S39 PolarHBondContact O-OG 3.43Å; T36-S39 VanDerWaalsContact O-OG 3.06Å | ||
| 37 | C | 41.7 | Very low | 48.1 | Very low | 34 Ų | 34 | 81.9 Ų | 81.9 | 23% | 0.23 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -47.8 | -18.4 | -179.3 | -75.8 | 0 | 0 | 0 | 0 | 113.9 | C21 L35 S39 L40 I95 | C21-C37 WeakPolarHBondContact CA-SG 3.42Å; C21-C37 WeakPolarHBondContact CB-SG 3.5Å; C21-C37 WeakPolarHBondContact SG-CB 3.22Å; C21-C37 CovalentContact SG-SG 2.03Å; C21-C37 PolarHBondContact SG-SG 3.28Å; L35-C37 PolarHBondContact O-N 2.79Å; C37-S39 PolarHBondContact O-N 2.86Å; C37-L40 PolarHBondContact O-N 2.85Å; C37-I95 HydrophobicContact CB-CD1 4.25Å |
| 38 | N | 42.6 | Very low | 49.6 | Very low | 90 Ų | 90 | 81.8 Ų | 81.8 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -51.4 | -26 | 169.9 | -65.7 | -14.6 | 0 | 0 | 0 | 116.3 | T36 | T36-N38 PolarHBondContact O-N 3.45Š|
| 39 | S | 42.4 | Very low | 51.2 | Low | 55 Ų | 55 | 80.3 Ų | 80.3 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -88.8 | -25.4 | -175.8 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | L35 T36 C37 L41 | L35-S39 VanDerWaalsContact CB-OG 3.31Å; L35-S39 WeakPolarHBondContact CB-OG 3.23Å; L35-S39 VanDerWaalsContact CD2-CB 3.47Å; L35-S39 WeakPolarHBondContact CD2-OG 3.35Å; T36-S39 PolarHBondContact O-N 3.15Å; T36-S39 PolarHBondContact O-OG 3.43Å; T36-S39 VanDerWaalsContact O-OG 3.06Å; C37-S39 PolarHBondContact O-N 2.86Å; S39-L41 VanDerWaalsContact C-N 3.31Å |
| 40 | L | 45.7 | Very low | 52.8 | Low | 79 Ų | 79 | 71.3 Ų | 71.3 | 41% | 0.414 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -21.7 | 175.3 | -109.1 | 128.9 | 0 | 0 | 0 | 112.2 | N16 I26 C37 T42 | N16-L40 HydrophobicContact CB-CD2 4.27Å; I26-L40 HydrophobicContact CD1-CD1 3.44Å; I26-L40 VanDerWaalsContact CD1-CD1 3.44Å; C37-L40 PolarHBondContact O-N 2.85Å; L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.49Å; L40-T42 VanDerWaalsContact O-N 3.14Å |
| 41 | L | 50.2 | Low | 54.1 | Low | 33 Ų | 33 | 67.9 Ų | 67.9 | 17% | 0.173 | 38% | 0.375 | C | S | . | . | trans | -83.6 | 73.6 | 169.9 | -64.2 | 166 | 0 | 0 | 0 | 109.3 | I17 S39 S43 L46 V93 I95 | I17-L41 HydrophobicContact CD1-CD2 3.64Å; I17-L41 HydrophobicContact CG1-CD2 3.99Å; S39-L41 VanDerWaalsContact C-N 3.31Å; L41-S43 PolarHBondContact O-N 2.7Å; L41-L46 HydrophobicContact CD2-CD1 4.21Å; L41-L46 HydrophobicContact CD2-CD2 3.8Å; L41-L46 HydrophobicContact CD2-CG 4.43Å; L41-V93 HydrophobicContact CD1-CB 4.4Å; L41-I95 HydrophobicContact CD1-CD1 4.19Å | ||
| 42 | T | 52.8 | Low | 55.4 | Low | 88 Ų | 88 | 67.1 Ų | 67.1 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | trans | -60.7 | 110 | 163.5 | 56 | 0 | 0 | 0 | 0 | 107.4 | L40 N44 V45 | L40-T42 VanDerWaalsContact C-N 3.32Å; L40-T42 PolarHBondContact O-N 3.49Å; L40-T42 VanDerWaalsContact O-N 3.14Å; T42-N44 PolarHBondContact O-N 2.88Å; T42-V45 PolarHBondContact O-N 2.84Å | ||
| 43 | S | 60.9 | Low | 56.6 | Low | 55 Ų | 55 | 61.8 Ų | 61.8 | 39% | 0.385 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -35.4 | -39.8 | -173.5 | 178.7 | 0 | 0 | 0 | 0 | 113.7 | L41 Q47 F89 | L41-S43 PolarHBondContact O-N 2.7Å; S43-Q47 WeakPolarHBondContact O-CB 3.25Å; S43-Q47 PolarHBondContact O-N 3.23Å; S43-F89 WeakPolarHBondContact O-CE2 3.5Å |
| 44 | N | 65.3 | Low | 58 | Low | 121 Ų | 121 | 55.6 Ų | 55.6 | 65% | 0.647 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | -174.7 | -61.6 | -7.3 | 0 | 0 | 0 | 114.4 | T42 Q47 Y48 | T42-N44 PolarHBondContact O-N 2.88Å; N44-Q47 PolarHBondContact O-N 2.88Å; N44-Y48 WeakPolarHBondContact O-CB 3.35Å; N44-Y48 PolarHBondContact O-N 2.81Å |
| 45 | V | 62.2 | Low | 59.4 | Low | 81 Ų | 81 | 52.6 Ų | 52.6 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69 | -47.5 | -177.2 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | T42 Q47 Y48 H49 | T42-V45 PolarHBondContact O-N 2.84Å; V45-Q47 VanDerWaalsContact C-N 3.32Å; V45-Q47 PolarHBondContact O-N 3.05Å; V45-Y48 WeakPolarHBondContact O-CB 3.47Å; V45-Y48 PolarHBondContact O-N 3.45Å; V45-H49 VanDerWaalsContact CG1-NE2 3.32Å; V45-H49 WeakPolarHBondContact CG1-NE2 3.29Å; V45-H49 PolarHBondContact O-CD2 3.15Å; V45-H49 PolarHBondContact O-N 3.08Å |
| 46 | L | 65.9 | Low | 60.6 | Low | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 177.1 | -169.5 | 70 | 0 | 0 | 0 | 111.8 | L41 Y48 H49 I50 F89 V93 F107 | L41-L46 HydrophobicContact CD2-CD1 4.21Å; L41-L46 HydrophobicContact CD2-CD2 3.8Å; L41-L46 HydrophobicContact CD2-CG 4.43Å; L46-Y48 VanDerWaalsContact C-N 3.35Å; L46-H49 PolarHBondContact O-N 3.28Å; L46-I50 WeakPolarHBondContact O-CG1 3.38Å; L46-I50 PolarHBondContact O-N 2.85Å; L46-F89 HydrophobicContact CB-CE2 3.99Å; L46-F89 HydrophobicContact CB-CZ 4.25Å; L46-F89 HydrophobicContact CD2-CE2 4.04Å; L46-F89 HydrophobicContact CD2-CZ 4.01Å; L46-F89 HydrophobicContact CG-CE2 4.08Å; L46-F89 HydrophobicContact CG-CZ 3.89Å; L46-V93 HydrophobicContact CD2-CB 4.38Å; L46-V93 HydrophobicContact CD2-CG2 3.48Å; L46-V93 VanDerWaalsContact CD2-CG2 3.48Å; L46-F107 HydrophobicContact CD1-CE1 4Å; L46-F107 HydrophobicContact CD2-CD1 4.26Å; L46-F107 HydrophobicContact CD2-CE1 3.67Å; L46-F107 HydrophobicContact CG-CE1 3.89Å |
| 47 | Q | 67.2 | Low | 61.2 | Low | 41 Ų | 41 | 54.1 Ų | 54.1 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.7 | -178.4 | 178.7 | -14.8 | 0 | 0 | 110.5 | S43 N44 V45 H49 I50 E51 I87 F89 | S43-Q47 WeakPolarHBondContact O-CB 3.25Å; S43-Q47 PolarHBondContact O-N 3.23Å; N44-Q47 PolarHBondContact O-N 2.88Å; V45-Q47 VanDerWaalsContact C-N 3.32Å; V45-Q47 PolarHBondContact O-N 3.05Å; Q47-H49 VanDerWaalsContact C-N 3.3Å; Q47-H49 PolarHBondContact O-N 3.07Å; Q47-I50 PolarHBondContact O-N 2.59Å; Q47-E51 VanDerWaalsContact O-CB 3.3Å; Q47-E51 WeakPolarHBondContact O-CB 3.49Å; Q47-E51 PolarHBondContact O-N 2.7Å; Q47-I87 PolarHBondContact NE2-O 3.35Å; Q47-F89 HydrophobicContact CB-CD2 3.94Å; Q47-F89 HydrophobicContact CB-CE2 3.51Å; Q47-F89 HydrophobicContact CB-CZ 4.14Å; Q47-F89 HydrophobicContact CG-CE2 4.39Å; Q47-F89 VanDerWaalsContact N-CE2 3.26Å |
| 48 | Y | 68 | Low | 61.9 | Low | 114 Ų | 114 | 53.2 Ų | 53.2 | 45% | 0.447 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 173.6 | 175.2 | -100.2 | 0 | 0 | 0 | 111.4 | N44 V45 L46 E51 Q52 | N44-Y48 WeakPolarHBondContact O-CB 3.35Å; N44-Y48 PolarHBondContact O-N 2.81Å; V45-Y48 WeakPolarHBondContact O-CB 3.47Å; V45-Y48 PolarHBondContact O-N 3.45Å; L46-Y48 VanDerWaalsContact C-N 3.35Å; Y48-E51 WeakPolarHBondContact O-CB 3.46Å; Y48-E51 PolarHBondContact O-N 2.79Å; Y48-Q52 HydrophobicContact CD1-CG 4.33Å; Y48-Q52 HydrophobicContact CE1-CG 3.93Å; Y48-Q52 HydrophobicContact CE2-CG 4.27Å; Y48-Q52 VanDerWaalsContact O-CG 3.26Å; Y48-Q52 WeakPolarHBondContact O-CG 3.47Å; Y48-Q52 PolarHBondContact O-N 2.64Å |
| 49 | H | 67.4 | Low | 62.6 | Low | 22 Ų | 22 | 57 Ų | 57 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 179 | -62.9 | -39 | 0 | 0 | 0 | 113.5 | I9 V45 L46 Q47 E51 Q52 L53 | I9-H49 WeakPolarHBondContact CD1-CE1 3.49Å; I9-H49 WeakPolarHBondContact CD1-ND1 3.42Å; I9-H49 WeakPolarHBondContact CG1-CE1 3.45Å; I9-H49 WeakPolarHBondContact CG1-ND1 3.49Å; I9-H49 HydrophobicContact CG2-CB 3.88Å; I9-H49 VanDerWaalsContact CG2-CG 3.4Å; V45-H49 VanDerWaalsContact CG1-NE2 3.32Å; V45-H49 WeakPolarHBondContact CG1-NE2 3.29Å; V45-H49 PolarHBondContact O-CD2 3.15Å; V45-H49 PolarHBondContact O-N 3.08Å; L46-H49 PolarHBondContact O-N 3.28Å; Q47-H49 VanDerWaalsContact C-N 3.3Å; Q47-H49 PolarHBondContact O-N 3.07Å; H49-E51 VanDerWaalsContact C-N 3.3Å; H49-E51 PolarHBondContact O-N 3.22Å; H49-Q52 PolarHBondContact O-N 2.68Å; H49-L53 WeakPolarHBondContact O-CG 3.47Å; H49-L53 PolarHBondContact O-N 3.03Å |
| 50 | I | 72 | Confident | 63.3 | Low | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 173.3 | -64.8 | -57.8 | 0 | 0 | 0 | 110.9 | L46 Q47 Q52 L53 L54 F89 F107 L109 L143 | L46-I50 WeakPolarHBondContact O-CG1 3.38Å; L46-I50 PolarHBondContact O-N 2.85Å; Q47-I50 PolarHBondContact O-N 2.59Å; I50-Q52 VanDerWaalsContact C-N 3.33Å; I50-Q52 PolarHBondContact O-N 2.82Å; I50-L53 HydrophobicContact CD1-CD1 4.08Å; I50-L53 PolarHBondContact O-N 3.33Å; I50-L54 HydrophobicContact CG2-CD1 3.94Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 WeakPolarHBondContact O-CG 3.28Å; I50-L54 PolarHBondContact O-N 3.38Å; I50-F89 HydrophobicContact CB-CZ 4.36Å; I50-F89 HydrophobicContact CG1-CE1 4.12Å; I50-F89 HydrophobicContact CG1-CZ 3.88Å; I50-F107 HydrophobicContact CD1-CD1 4.18Å; I50-F107 HydrophobicContact CD1-CE1 3.95Å; I50-F107 HydrophobicContact CD1-CE2 4.4Å; I50-F107 HydrophobicContact CD1-CG 4.48Å; I50-F107 HydrophobicContact CD1-CZ 4.09Å; I50-F107 HydrophobicContact CG1-CD1 4.13Å; I50-F107 HydrophobicContact CG1-CE1 4.11Å; I50-L109 HydrophobicContact CG2-CD1 3.98Å; I50-L109 HydrophobicContact CG2-CD2 3.85Å; I50-L143 HydrophobicContact CD1-CD2 4.24Å |
| 51 | E | 72.1 | Confident | 63.5 | Low | 59 Ų | 59 | 55.5 Ų | 55.5 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 172.2 | -176.4 | -172.4 | 163.5 | 0 | 0 | 111.3 | Q47 Y48 H49 L54 T55 I87 | Q47-E51 VanDerWaalsContact O-CB 3.3Å; Q47-E51 WeakPolarHBondContact O-CB 3.49Å; Q47-E51 PolarHBondContact O-N 2.7Å; Y48-E51 WeakPolarHBondContact O-CB 3.46Å; Y48-E51 PolarHBondContact O-N 2.79Å; H49-E51 VanDerWaalsContact C-N 3.3Å; H49-E51 PolarHBondContact O-N 3.22Å; E51-L54 PolarHBondContact O-N 2.88Å; E51-T55 HydrophobicContact CG-CG2 4.26Å; E51-T55 VanDerWaalsContact O-CB 3.31Å; E51-T55 WeakPolarHBondContact O-CB 2.95Å; E51-T55 VanDerWaalsContact O-CG2 3.3Å; E51-T55 WeakPolarHBondContact O-CG2 3.06Å; E51-T55 PolarHBondContact O-N 2.83Å; E51-T55 PolarHBondContact O-OG1 3.47Å; E51-I87 HydrophobicContact CB-CD1 3.92Å; E51-I87 HydrophobicContact CG-CD1 4.16Å |
| 52 | Q | 70.6 | Confident | 63.9 | Low | 37 Ų | 37 | 57.6 Ų | 57.6 | 17% | 0.173 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 175.8 | -69.7 | -62.9 | -43.9 | 0 | 0 | 112.3 | Y6 Y48 H49 I50 L54 T55 H56 | Y6-Q52 HydrophobicContact CE1-CB 4.14Å; Y6-Q52 HydrophobicContact CE1-CG 4.45Å; Y6-Q52 PolarHBondContact OH-OE1 3.04Å; Y6-Q52 VanDerWaalsContact OH-OE1 3.07Å; Y48-Q52 HydrophobicContact CD1-CG 4.33Å; Y48-Q52 HydrophobicContact CE1-CG 3.93Å; Y48-Q52 HydrophobicContact CE2-CG 4.27Å; Y48-Q52 VanDerWaalsContact O-CG 3.26Å; Y48-Q52 WeakPolarHBondContact O-CG 3.47Å; Y48-Q52 PolarHBondContact O-N 2.64Å; H49-Q52 PolarHBondContact O-N 2.68Å; I50-Q52 VanDerWaalsContact C-N 3.33Å; I50-Q52 PolarHBondContact O-N 2.82Å; Q52-L54 PolarHBondContact O-N 3.45Å; Q52-T55 PolarHBondContact O-N 3.31Å; Q52-H56 WeakPolarHBondContact O-CA 3.21Å; Q52-H56 WeakPolarHBondContact O-CB 3.3Å; Q52-H56 PolarHBondContact O-N 3.32Å |
| 53 | L | 73.4 | Confident | 64.2 | Low | 23 Ų | 23 | 53.8 Ų | 53.8 | 12% | 0.12 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -39.8 | 175.9 | -72.5 | -179.5 | 0 | 0 | 0 | 111.8 | H49 I50 S217 L218 F221 | H49-L53 WeakPolarHBondContact O-CG 3.47Å; H49-L53 PolarHBondContact O-N 3.03Å; I50-L53 HydrophobicContact CD1-CD1 4.08Å; I50-L53 PolarHBondContact O-N 3.33Å; L53-S217 WeakPolarHBondContact O-CB 3.25Å; L53-S217 PolarHBondContact O-OG 3.1Å; L53-L218 HydrophobicContact CD2-CD2 4.13Å; L53-F221 HydrophobicContact CD2-CD2 3.93Å; L53-F221 HydrophobicContact CD2-CE2 3.55Å |
| 54 | L | 71.2 | Confident | 64.3 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -75.6 | -34.9 | 178.7 | -74.1 | 167.8 | 0 | 0 | 0 | 112.1 | I50 E51 Q52 Y63 I87 L109 F111 I210 I214 | I50-L54 HydrophobicContact CG2-CD1 3.94Å; I50-L54 WeakPolarHBondContact O-CB 3.32Å; I50-L54 WeakPolarHBondContact O-CG 3.28Å; I50-L54 PolarHBondContact O-N 3.38Å; E51-L54 PolarHBondContact O-N 2.88Å; Q52-L54 PolarHBondContact O-N 3.45Å; L54-Y63 WeakPolarHBondContact O-CE1 3.21Å; L54-Y63 VanDerWaalsContact O-CZ 3.3Å; L54-Y63 PolarHBondContact O-OH 2.84Å; L54-I87 HydrophobicContact CB-CD1 4.07Å; L54-I87 HydrophobicContact CD1-CD1 3.29Å; L54-I87 HydrophobicContact CD1-CG1 3.88Å; L54-I87 HydrophobicContact CG-CD1 4.26Å; L54-L109 HydrophobicContact CD1-CD1 4.01Å; L54-F111 HydrophobicContact CD1-CE1 4.48Å; L54-F111 HydrophobicContact CD1-CZ 4.14Å; L54-I210 HydrophobicContact CD2-CG2 3.81Å; L54-I214 HydrophobicContact CD2-CD1 3.83Å; L54-I214 HydrophobicContact CD2-CG1 3.76Å; L54-I214 HydrophobicContact CG-CG1 4.42Å |
| 55 | T | 68.8 | Low | 64.3 | Low | 17 Ų | 17 | 52.5 Ų | 52.5 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -98.5 | -0.5 | -174 | 61.7 | 0 | 0 | 0 | 0 | 115.8 | E51 Q52 Y57 G58 Y63 | E51-T55 HydrophobicContact CG-CG2 4.26Å; E51-T55 VanDerWaalsContact O-CB 3.31Å; E51-T55 WeakPolarHBondContact O-CB 2.95Å; E51-T55 VanDerWaalsContact O-CG2 3.3Å; E51-T55 WeakPolarHBondContact O-CG2 3.06Å; E51-T55 PolarHBondContact O-N 2.83Å; E51-T55 PolarHBondContact O-OG1 3.47Å; Q52-T55 PolarHBondContact O-N 3.31Å; T55-Y57 VanDerWaalsContact C-N 3.27Å; T55-Y57 PolarHBondContact O-N 2.82Å; T55-Y57 VanDerWaalsContact O-N 3.15Å; T55-G58 CarbonylContact O-C 3.57Å; T55-G58 PolarHBondContact O-N 3.01Å; T55-Y63 WeakPolarHBondContact CA-OH 3.46Å; T55-Y63 WeakPolarHBondContact CG2-OH 3.23Å; T55-Y63 PolarHBondContact N-OH 3.14Å |
| 56 | H | 67.2 | Low | 64.2 | Low | 58 Ų | 58 | 51.9 Ų | 51.9 | 27% | 0.269 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -42.3 | -175.7 | -173.3 | 66.1 | 0 | 0 | 0 | 113.5 | Q52 S217 F221 | Q52-H56 WeakPolarHBondContact O-CA 3.21Å; Q52-H56 WeakPolarHBondContact O-CB 3.3Å; Q52-H56 PolarHBondContact O-N 3.32Å; H56-S217 WeakPolarHBondContact CB-OG 3.35Å; H56-F221 HydrophobicContact CB-CZ 4.31Å; H56-F221 AromaticContact CE1-CE1 3.51Å; H56-F221 AromaticContact CE1-CZ 3.62Å; H56-F221 AromaticContact CG-CZ 3.73Å; H56-F221 AromaticContact ND1-CE1 3.62Å; H56-F221 AromaticContact ND1-CZ 3.29Å; H56-F221 VanDerWaalsContact ND1-CZ 3.29Å; H56-F221 WeakPolarHBondContact ND1-CZ 3.31Å |
| 57 | Y | 57.3 | Low | 64.4 | Low | 114 Ų | 114 | 55.6 Ų | 55.6 | 45% | 0.447 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.8 | -179.6 | -69.6 | -71 | 0 | 0 | 0 | 115.1 | T55 K216 S220 | T55-Y57 VanDerWaalsContact C-N 3.27Å; T55-Y57 PolarHBondContact O-N 2.82Å; T55-Y57 VanDerWaalsContact O-N 3.15Å; Y57-K216 HydrophobicContact CD2-CB 4.41Å; Y57-K216 HydrophobicContact CE2-CB 3.59Å; Y57-K216 PolarHBondContact OH-O 3.27Å; Y57-S220 VanDerWaalsContact OH-CB 3.24Å; Y57-S220 WeakPolarHBondContact OH-CB 3.16Å; Y57-S220 PolarHBondContact OH-OG 2.95Å |
| 58 | G | 56.5 | Low | 64.6 | Low | 15 Ų | 15 | 56.4 Ų | 56.4 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | trans | 150.2 | 149.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T55 Y63 | T55-G58 CarbonylContact O-C 3.57Å; T55-G58 PolarHBondContact O-N 3.01Å; G58-Y63 VanDerWaalsContact O-CE2 3.32Å; G58-Y63 WeakPolarHBondContact O-CE2 3.15Å; G58-Y63 PolarHBondContact O-OH 2.66Å | ||
| 59 | K | 58.5 | Low | 64.9 | Low | 168 Ų | 168 | 51.6 Ų | 51.6 | 73% | 0.73 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -72.5 | 165.4 | 169.1 | -64.7 | -173.6 | 177.5 | -175.6 | 0 | 110.4 | S61 V62 | K59-S61 PolarHBondContact O-N 3.12Å; K59-V62 PolarHBondContact O-N 3.03Å |
| 60 | D | 56.6 | Low | 65.3 | Low | 31 Ų | 31 | 57 Ų | 57 | 17% | 0.166 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -31.9 | -31.9 | -172.4 | -76.1 | -17.7 | 0 | 0 | 0 | 118.9 | I81 N82 G83 L84 S85 | D60-I81 CarbonylContact O-C 3.49Å; D60-N82 HydrophobicContact CB-CB 4.34Å; D60-N82 WeakPolarHBondContact O-CA 3.48Å; D60-N82 VanDerWaalsContact O-CG 3.31Å; D60-N82 PolarHBondContact O-OD1 3.36Å; D60-G83 PolarHBondContact OD1-N 3.32Å; D60-G83 PolarHBondContact OD2-N 3.32Å; D60-L84 PolarHBondContact OD1-N 3.24Å; D60-S85 WeakPolarHBondContact OD1-CB 3.25Å; D60-S85 PolarHBondContact OD1-N 2.88Å; D60-S85 PolarHBondContact OD1-OG 3.37Å; D60-S85 PolarHBondContact OD2-OG 2.94Å |
| 61 | S | 50 | Low | 65.2 | Low | 72 Ų | 72 | 56.8 Ų | 56.8 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -6 | -178 | 60.6 | 0 | 0 | 0 | 0 | 115.6 | K59 R80 | K59-S61 PolarHBondContact O-N 3.12Å; S61-R80 PolarHBondContact O-NH1 3.37Å |
| 62 | V | 57.8 | Low | 65.2 | Low | 77 Ų | 77 | 57.1 Ų | 57.1 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | trans | -104 | -22.6 | -168 | -175.5 | 0 | 0 | 0 | 0 | 112.9 | K59 K64 | K59-V62 PolarHBondContact O-N 3.03Å; V62-K64 PolarHBondContact O-N 3.04Å; V62-K64 VanDerWaalsContact O-N 3.1Å | ||
| 63 | Y | 58.9 | Low | 65.2 | Low | 9 Ų | 9 | 58.6 Ų | 58.6 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -57.8 | 119.2 | -179.9 | -62.3 | -72.8 | 0 | 0 | 0 | 110.5 | L54 T55 G58 R80 I81 L84 Q213 | L54-Y63 WeakPolarHBondContact O-CE1 3.21Å; L54-Y63 VanDerWaalsContact O-CZ 3.3Å; L54-Y63 PolarHBondContact O-OH 2.84Å; T55-Y63 WeakPolarHBondContact CA-OH 3.46Å; T55-Y63 WeakPolarHBondContact CG2-OH 3.23Å; T55-Y63 PolarHBondContact N-OH 3.14Å; G58-Y63 VanDerWaalsContact O-CE2 3.32Å; G58-Y63 WeakPolarHBondContact O-CE2 3.15Å; G58-Y63 PolarHBondContact O-OH 2.66Å; Y63-R80 WeakPolarHBondContact O-CA 3.42Å; Y63-R80 WeakPolarHBondContact O-CB 3.27Å; Y63-R80 WeakPolarHBondContact O-CG 3.08Å; Y63-I81 VanDerWaalsContact CD2-O 3.28Å; Y63-I81 WeakPolarHBondContact CD2-O 3.11Å; Y63-L84 HydrophobicContact CD1-CD1 4.32Å; Y63-L84 HydrophobicContact CD2-CD1 4.02Å; Y63-L84 HydrophobicContact CE1-CD1 4.25Å; Y63-L84 HydrophobicContact CE2-CB 3.88Å; Y63-L84 HydrophobicContact CE2-CD1 3.97Å; Y63-L84 HydrophobicContact CE2-CG 4.48Å; Y63-L84 HydrophobicContact CG-CD1 4.14Å; Y63-Q213 VanDerWaalsContact CD1-NE2 3.27Å | ||
| 64 | K | 64.3 | Low | 65.3 | Low | 135 Ų | 135 | 57.5 Ų | 57.5 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118 | 174 | -75.1 | 179.2 | -177.6 | 176.1 | 0 | 108.4 | V62 G66 I79 R80 | V62-K64 PolarHBondContact O-N 3.04Å; V62-K64 VanDerWaalsContact O-N 3.1Å; K64-G66 PolarHBondContact O-N 3.48Å; K64-I79 CarbonylContact C-O 3.52Å; K64-I79 VanDerWaalsContact CA-O 3.26Å; K64-I79 WeakPolarHBondContact CA-O 3.39Å; K64-R80 HydrophobicContact CG-CG 4.29Å |
| 65 | I | 63.7 | Low | 65.8 | Low | 14 Ų | 14 | 61.3 Ų | 61.3 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 107.6 | 165.5 | -44.9 | -174.3 | 0 | 0 | 0 | 106.2 | N67 I69 I79 I81 E209 | I65-N67 PolarHBondContact O-N 2.84Å; I65-I69 HydrophobicContact CD1-CD1 4.22Å; I65-I79 HydrophobicContact CB-CB 3.94Å; I65-I79 HydrophobicContact CB-CD1 4.47Å; I65-I79 HydrophobicContact CB-CG2 4.4Å; I65-I79 HydrophobicContact CD1-CB 3.97Å; I65-I79 HydrophobicContact CD1-CD1 4.38Å; I65-I79 HydrophobicContact CD1-CG2 3.46Å; I65-I79 VanDerWaalsContact CD1-CG2 3.46Å; I65-I79 HydrophobicContact CG1-CB 3.95Å; I65-I79 HydrophobicContact CG1-CG2 3.86Å; I65-I79 PolarHBondContact N-O 3.16Å; I65-I81 HydrophobicContact CD1-CD1 3.8Å; I65-I81 HydrophobicContact CD1-CG1 3.94Å; I65-I81 HydrophobicContact CG1-CD1 4.04Å; I65-I81 HydrophobicContact CG1-CG1 4.08Å; I65-E209 HydrophobicContact CG1-CG 4.12Å; I65-E209 WeakPolarHBondContact CG2-OE2 3.35Å |
| 66 | G | 61 | Low | 66.4 | Low | 68 Ų | 68 | 60.6 Ų | 60.6 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -65.1 | -24.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K64 | K64-G66 PolarHBondContact O-N 3.48Š|
| 67 | N | 70.6 | Confident | 67.1 | Low | 88 Ų | 88 | 60.9 Ų | 60.9 | 47% | 0.471 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -101.1 | 133.9 | -177.9 | -68.3 | -51.9 | 0 | 0 | 0 | 111.6 | I65 I69 | I65-N67 PolarHBondContact O-N 2.84Å; N67-I69 PolarHBondContact O-N 3.25Å |
| 68 | P | 70.6 | Confident | 68.2 | Low | 59 Ų | 59 | 60 Ų | 60 | 38% | 0.383 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -68 | 133.5 | 174.7 | 26.9 | -32.6 | 0 | 0 | 0 | 111.5 | F76 F77 | P68-F76 CarbonylContact C-O 3.56Å; P68-F76 WeakPolarHBondContact CA-O 3.24Å; P68-F76 VanDerWaalsContact CB-O 3.23Å; P68-F76 WeakPolarHBondContact CB-O 3.18Å; P68-F77 HydrophobicContact CB-CD1 3.49Å; P68-F77 VanDerWaalsContact CB-CD1 3.49Å; P68-F77 HydrophobicContact CB-CE1 3.64Å; P68-F77 HydrophobicContact CB-CG 4.22Å; P68-F77 HydrophobicContact CG-CD1 4.19Å; P68-F77 HydrophobicContact CG-CE1 4.07Å |
| 69 | I | 75.2 | Confident | 69.1 | Low | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 123.1 | 175.1 | -58.8 | 174.2 | 0 | 0 | 0 | 108.4 | I65 N67 F71 F76 I79 I201 S205 | I65-I69 HydrophobicContact CD1-CD1 4.22Å; N67-I69 PolarHBondContact O-N 3.25Å; I69-F71 HydrophobicContact CB-CE2 4.28Å; I69-F71 HydrophobicContact CB-CZ 4.25Å; I69-F71 HydrophobicContact CG2-CD1 4.16Å; I69-F71 HydrophobicContact CG2-CD2 4.35Å; I69-F71 HydrophobicContact CG2-CE1 3.6Å; I69-F71 HydrophobicContact CG2-CE2 3.78Å; I69-F71 HydrophobicContact CG2-CZ 3.39Å; I69-F76 HydrophobicContact CB-CB 4.28Å; I69-F76 HydrophobicContact CD1-CD1 4.42Å; I69-F76 PolarHBondContact N-O 3.45Å; I69-F76 WeakPolarHBondContact O-CB 3.04Å; I69-F76 PolarHBondContact O-N 3.27Å; I69-I79 HydrophobicContact CB-CD1 3.94Å; I69-I79 HydrophobicContact CD1-CD1 3.53Å; I69-I79 HydrophobicContact CG1-CD1 3.44Å; I69-I79 VanDerWaalsContact CG1-CD1 3.44Å; I69-I201 HydrophobicContact CG2-CG2 3.38Å; I69-S205 WeakPolarHBondContact CD1-OG 3.34Å |
| 70 | K | 74.8 | Confident | 70.2 | Confident | 134 Ų | 134 | 56.3 Ų | 56.3 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.1 | 175.5 | -62.2 | -170.6 | -177.5 | 171.9 | 0 | 110.3 | A74 K75 | K70-A74 CarbonylContact C-O 3.39Å; K70-A74 WeakPolarHBondContact CA-O 3.36Å; K70-K75 HydrophobicContact CG-CG 4.26Å |
| 71 | F | 71.2 | Confident | 71.3 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 89.4 | 171.8 | -55.6 | -68.4 | 0 | 0 | 0 | 110 | I69 T73 A74 F76 F189 Y198 I201 I202 | I69-F71 HydrophobicContact CB-CE2 4.28Å; I69-F71 HydrophobicContact CB-CZ 4.25Å; I69-F71 HydrophobicContact CG2-CD1 4.16Å; I69-F71 HydrophobicContact CG2-CD2 4.35Å; I69-F71 HydrophobicContact CG2-CE1 3.6Å; I69-F71 HydrophobicContact CG2-CE2 3.78Å; I69-F71 HydrophobicContact CG2-CZ 3.39Å; F71-T73 PolarHBondContact O-N 3.28Å; F71-T73 VanDerWaalsContact O-N 3.08Å; F71-A74 HydrophobicContact CB-CB 4.32Å; F71-A74 PolarHBondContact N-O 3.22Å; F71-A74 WeakPolarHBondContact O-CB 3.2Å; F71-A74 PolarHBondContact O-N 3.45Å; F71-F76 HydrophobicContact CD2-CB 4.33Å; F71-F76 HydrophobicContact CE2-CB 3.91Å; F71-F76 HydrophobicContact CE2-CD1 4.22Å; F71-F76 HydrophobicContact CE2-CG 4.34Å; F71-F189 HydrophobicContact CB-CE2 4.45Å; F71-F189 HydrophobicContact CD2-CE2 4.26Å; F71-F189 HydrophobicContact CD2-CZ 4.27Å; F71-Y198 HydrophobicContact CB-CD1 3.9Å; F71-Y198 HydrophobicContact CB-CE1 3.47Å; F71-Y198 VanDerWaalsContact CB-CE1 3.47Å; F71-Y198 AromaticContact CD1-CD1 3.33Å; F71-Y198 HydrophobicContact CD1-CD1 3.33Å; F71-Y198 AromaticContact CD1-CE1 3.83Å; F71-Y198 HydrophobicContact CD1-CE1 3.83Å; F71-Y198 HydrophobicContact CD1-CG 4.49Å; F71-Y198 HydrophobicContact CD2-CD1 4.48Å; F71-Y198 HydrophobicContact CD2-CE1 4.38Å; F71-Y198 AromaticContact CE1-CD1 3.81Å; F71-Y198 HydrophobicContact CE1-CD1 3.81Å; F71-Y198 AromaticContact CG-CD1 3.68Å; F71-Y198 HydrophobicContact CG-CD1 3.68Å; F71-Y198 AromaticContact CG-CE1 3.67Å; F71-Y198 HydrophobicContact CG-CE1 3.67Å; F71-I201 HydrophobicContact CD1-CB 4.1Å; F71-I201 HydrophobicContact CD1-CD1 4.02Å; F71-I201 HydrophobicContact CD1-CG2 3.74Å; F71-I201 HydrophobicContact CE1-CB 3.88Å; F71-I201 HydrophobicContact CE1-CG2 3.47Å; F71-I201 VanDerWaalsContact CE1-CG2 3.47Å; F71-I201 HydrophobicContact CZ-CG2 4.42Å; F71-I202 HydrophobicContact CE1-CD1 4.42Å; F71-I202 HydrophobicContact CE1-CG1 3.76Å; F71-I202 HydrophobicContact CZ-CD1 4.33Å; F71-I202 HydrophobicContact CZ-CG1 3.7Å |
| 72 | G | 71.8 | Confident | 72.8 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | -116.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A74 | G72-A74 VanDerWaalsContact C-N 3.34Š|
| 73 | T | 70.9 | Confident | 73.8 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -5.5 | 177.7 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | F71 T123 | F71-T73 PolarHBondContact O-N 3.28Å; F71-T73 VanDerWaalsContact O-N 3.08Å; T73-T123 PolarHBondContact O-N 2.84Å; T73-T123 PolarHBondContact O-OG1 2.94Å; T73-T123 VanDerWaalsContact O-OG1 3.13Å |
| 74 | A | 74.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 144.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K70 F71 G72 M120 N121 M122 | K70-A74 CarbonylContact C-O 3.39Å; K70-A74 WeakPolarHBondContact CA-O 3.36Å; F71-A74 HydrophobicContact CB-CB 4.32Å; F71-A74 PolarHBondContact N-O 3.22Å; F71-A74 WeakPolarHBondContact O-CB 3.2Å; F71-A74 PolarHBondContact O-N 3.45Å; G72-A74 VanDerWaalsContact C-N 3.34Å; A74-M120 HydrophobicContact CB-CE 3.48Å; A74-M120 VanDerWaalsContact CB-CE 3.48Å; A74-M120 HydrophobicContact CB-CG 4.18Å; A74-M120 HydrophobicContact CB-SD 4.02Å; A74-N121 CarbonylContact C-O 3.54Å; A74-N121 VanDerWaalsContact CA-O 3.25Å; A74-N121 WeakPolarHBondContact CA-O 3.14Å; A74-M122 HydrophobicContact CB-CG 3.99Å |
| 75 | K | 81.5 | Confident | 75 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 35% | 0.348 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.3 | 172.1 | -62.9 | -175.6 | -179.2 | 175.5 | 0 | 109 | K70 F77 M120 N121 | K70-K75 HydrophobicContact CG-CG 4.26Å; K75-F77 HydrophobicContact CB-CD2 4.16Å; K75-F77 HydrophobicContact CB-CE1 4.24Å; K75-F77 HydrophobicContact CB-CE2 3.25Å; K75-F77 HydrophobicContact CB-CZ 3.3Å; K75-F77 HydrophobicContact CD-CE1 4.4Å; K75-F77 HydrophobicContact CD-CE2 4.34Å; K75-F77 HydrophobicContact CD-CZ 3.61Å; K75-F77 HydrophobicContact CG-CE2 4.42Å; K75-F77 HydrophobicContact CG-CZ 4.11Å; K75-F77 WeakPolarHBondContact O-CD2 2.84Å; K75-F77 VanDerWaalsContact O-CE2 3.31Å; K75-F77 WeakPolarHBondContact O-CE2 3.34Å; K75-M120 CarbonylContact O-C 3.48Å; K75-M120 VanDerWaalsContact O-CA 3.29Å; K75-M120 WeakPolarHBondContact O-CA 3.3Å; K75-M120 WeakPolarHBondContact O-CG 3.38Å; K75-N121 PolarHBondContact N-O 3.3Å; K75-N121 PolarHBondContact O-N 3.36Å |
| 76 | F | 81.5 | Confident | 75.6 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.5 | 179.1 | -169.6 | -141.2 | 0 | 0 | 0 | 108.8 | P68 I69 F71 I79 I116 K119 M120 V132 I134 | P68-F76 CarbonylContact C-O 3.56Å; P68-F76 WeakPolarHBondContact CA-O 3.24Å; P68-F76 VanDerWaalsContact CB-O 3.23Å; P68-F76 WeakPolarHBondContact CB-O 3.18Å; I69-F76 HydrophobicContact CB-CB 4.28Å; I69-F76 HydrophobicContact CD1-CD1 4.42Å; I69-F76 PolarHBondContact N-O 3.45Å; I69-F76 WeakPolarHBondContact O-CB 3.04Å; I69-F76 PolarHBondContact O-N 3.27Å; F71-F76 HydrophobicContact CD2-CB 4.33Å; F71-F76 HydrophobicContact CE2-CB 3.91Å; F71-F76 HydrophobicContact CE2-CD1 4.22Å; F71-F76 HydrophobicContact CE2-CG 4.34Å; F76-I79 HydrophobicContact CB-CD1 4.11Å; F76-I79 HydrophobicContact CB-CG1 4.45Å; F76-I79 HydrophobicContact CD1-CB 4.4Å; F76-I79 HydrophobicContact CD1-CD1 3.29Å; F76-I79 HydrophobicContact CD1-CG1 3.44Å; F76-I79 VanDerWaalsContact CD1-CG1 3.44Å; F76-I79 HydrophobicContact CD1-CG2 4.13Å; F76-I79 HydrophobicContact CD2-CG1 4.36Å; F76-I79 HydrophobicContact CE1-CB 4.18Å; F76-I79 HydrophobicContact CE1-CD1 3.89Å; F76-I79 HydrophobicContact CE1-CG1 3.66Å; F76-I79 HydrophobicContact CE1-CG2 3.56Å; F76-I79 HydrophobicContact CG-CD1 3.83Å; F76-I79 HydrophobicContact CG-CG1 3.81Å; F76-I79 HydrophobicContact CZ-CG1 4.22Å; F76-I79 HydrophobicContact CZ-CG2 4.16Å; F76-I79 WeakPolarHBondContact O-CD1 3.45Å; F76-I116 HydrophobicContact CE1-CG2 3.91Å; F76-I116 HydrophobicContact CZ-CG2 4.41Å; F76-K119 CarbonylContact C-O 3.53Å; F76-K119 WeakPolarHBondContact CA-O 3.44Å; F76-K119 WeakPolarHBondContact CD2-O 3.49Å; F76-M120 HydrophobicContact CD2-CB 4.02Å; F76-V132 HydrophobicContact CE2-CB 3.89Å; F76-V132 HydrophobicContact CE2-CG1 4.49Å; F76-I134 HydrophobicContact CE1-CD1 4.05Å; F76-I134 HydrophobicContact CZ-CD1 4.48Å |
| 77 | F | 81.9 | Confident | 76.4 | Confident | 64 Ų | 64 | 42.4 Ų | 42.4 | 28% | 0.281 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 170 | -169.6 | -55.8 | -91.2 | 0 | 0 | 0 | 110.4 | P68 K75 I79 G118 K119 N121 L129 | P68-F77 HydrophobicContact CB-CD1 3.49Å; P68-F77 VanDerWaalsContact CB-CD1 3.49Å; P68-F77 HydrophobicContact CB-CE1 3.64Å; P68-F77 HydrophobicContact CB-CG 4.22Å; P68-F77 HydrophobicContact CG-CD1 4.19Å; P68-F77 HydrophobicContact CG-CE1 4.07Å; K75-F77 HydrophobicContact CB-CD2 4.16Å; K75-F77 HydrophobicContact CB-CE1 4.24Å; K75-F77 HydrophobicContact CB-CE2 3.25Å; K75-F77 HydrophobicContact CB-CZ 3.3Å; K75-F77 HydrophobicContact CD-CE1 4.4Å; K75-F77 HydrophobicContact CD-CE2 4.34Å; K75-F77 HydrophobicContact CD-CZ 3.61Å; K75-F77 HydrophobicContact CG-CE2 4.42Å; K75-F77 HydrophobicContact CG-CZ 4.11Å; K75-F77 WeakPolarHBondContact O-CD2 2.84Å; K75-F77 VanDerWaalsContact O-CE2 3.31Å; K75-F77 WeakPolarHBondContact O-CE2 3.34Å; F77-I79 PolarHBondContact O-N 3.43Å; F77-I79 VanDerWaalsContact O-N 3.07Å; F77-G118 CarbonylContact O-C 3.5Å; F77-G118 WeakPolarHBondContact O-CA 3.41Å; F77-K119 PolarHBondContact N-O 2.89Å; F77-K119 PolarHBondContact O-N 2.98Å; F77-N121 HydrophobicContact CE2-CB 3.92Å; F77-L129 HydrophobicContact CD2-CD2 4.31Å |
| 78 | D | 79.8 | Confident | 77 | Confident | 95 Ų | 95 | 42.6 Ų | 42.6 | 51% | 0.508 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50 | 35 | 178 | -64.4 | -20.4 | 0 | 0 | 0 | 112.3 | K119 | D78-K119 WeakPolarHBondContact OD2-CE 3.47Å; D78-K119 IonicContact OD2-NZ 2.81Å; D78-K119 PolarHBondContact OD2-NZ 3.49Å |
| 79 | I | 77.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 133.3 | -166.7 | -49.6 | 167.8 | 0 | 0 | 0 | 108.8 | K64 I65 I69 F76 F77 I116 N117 | K64-I79 CarbonylContact C-O 3.52Å; K64-I79 VanDerWaalsContact CA-O 3.26Å; K64-I79 WeakPolarHBondContact CA-O 3.39Å; I65-I79 HydrophobicContact CB-CB 3.94Å; I65-I79 HydrophobicContact CB-CD1 4.47Å; I65-I79 HydrophobicContact CB-CG2 4.4Å; I65-I79 HydrophobicContact CD1-CB 3.97Å; I65-I79 HydrophobicContact CD1-CD1 4.38Å; I65-I79 HydrophobicContact CD1-CG2 3.46Å; I65-I79 VanDerWaalsContact CD1-CG2 3.46Å; I65-I79 HydrophobicContact CG1-CB 3.95Å; I65-I79 HydrophobicContact CG1-CG2 3.86Å; I65-I79 PolarHBondContact N-O 3.16Å; I69-I79 HydrophobicContact CB-CD1 3.94Å; I69-I79 HydrophobicContact CD1-CD1 3.53Å; I69-I79 HydrophobicContact CG1-CD1 3.44Å; I69-I79 VanDerWaalsContact CG1-CD1 3.44Å; F76-I79 HydrophobicContact CB-CD1 4.11Å; F76-I79 HydrophobicContact CB-CG1 4.45Å; F76-I79 HydrophobicContact CD1-CB 4.4Å; F76-I79 HydrophobicContact CD1-CD1 3.29Å; F76-I79 HydrophobicContact CD1-CG1 3.44Å; F76-I79 VanDerWaalsContact CD1-CG1 3.44Å; F76-I79 HydrophobicContact CD1-CG2 4.13Å; F76-I79 HydrophobicContact CD2-CG1 4.36Å; F76-I79 HydrophobicContact CE1-CB 4.18Å; F76-I79 HydrophobicContact CE1-CD1 3.89Å; F76-I79 HydrophobicContact CE1-CG1 3.66Å; F76-I79 HydrophobicContact CE1-CG2 3.56Å; F76-I79 HydrophobicContact CG-CD1 3.83Å; F76-I79 HydrophobicContact CG-CG1 3.81Å; F76-I79 HydrophobicContact CZ-CG1 4.22Å; F76-I79 HydrophobicContact CZ-CG2 4.16Å; F76-I79 WeakPolarHBondContact O-CD1 3.45Å; F77-I79 PolarHBondContact O-N 3.43Å; F77-I79 VanDerWaalsContact O-N 3.07Å; I79-I116 HydrophobicContact CG2-CG2 3.21Å; I79-N117 CarbonylContact C-O 3.57Å; I79-N117 WeakPolarHBondContact CA-O 3.2Å |
| 80 | R | 81.4 | Confident | 77.6 | Confident | 106 Ų | 106 | 42.9 Ų | 42.9 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.3 | 176.7 | -53.8 | -173.1 | -170.7 | -165.5 | 4.3 | 111.3 | S61 Y63 K64 I116 N117 | S61-R80 PolarHBondContact O-NH1 3.37Å; Y63-R80 WeakPolarHBondContact O-CA 3.42Å; Y63-R80 WeakPolarHBondContact O-CB 3.27Å; Y63-R80 WeakPolarHBondContact O-CG 3.08Å; K64-R80 HydrophobicContact CG-CG 4.29Å; R80-I116 CarbonylContact O-C 3.58Å; R80-I116 VanDerWaalsContact O-CA 3.22Å; R80-I116 WeakPolarHBondContact O-CA 3.49Å; R80-N117 PolarHBondContact N-O 2.95Å; R80-N117 PolarHBondContact O-N 3.39Å |
| 81 | I | 79.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.5 | 179.2 | -52.9 | 177.8 | 0 | 0 | 0 | 108.1 | D60 Y63 I65 L84 L114 I116 E209 | D60-I81 CarbonylContact O-C 3.49Å; Y63-I81 VanDerWaalsContact CD2-O 3.28Å; Y63-I81 WeakPolarHBondContact CD2-O 3.11Å; I65-I81 HydrophobicContact CD1-CD1 3.8Å; I65-I81 HydrophobicContact CD1-CG1 3.94Å; I65-I81 HydrophobicContact CG1-CD1 4.04Å; I65-I81 HydrophobicContact CG1-CG1 4.08Å; I81-L84 HydrophobicContact CB-CD1 4.26Å; I81-L84 HydrophobicContact CG2-CD1 4Å; I81-L84 HydrophobicContact CG2-CD2 4.48Å; I81-L84 HydrophobicContact CG2-CG 3.94Å; I81-L114 HydrophobicContact CG2-CD1 4.4Å; I81-L114 HydrophobicContact CG2-CD2 4.14Å; I81-I116 HydrophobicContact CG1-CG1 4.38Å; I81-E209 HydrophobicContact CD1-CB 4.47Å; I81-E209 HydrophobicContact CD1-CG 4.16Å |
| 82 | N | 81.8 | Confident | 77.3 | Confident | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 146.3 | 174.1 | -51.8 | -1.1 | 0 | 0 | 0 | 109.9 | D60 L114 V115 N117 | D60-N82 HydrophobicContact CB-CB 4.34Å; D60-N82 WeakPolarHBondContact O-CA 3.48Å; D60-N82 VanDerWaalsContact O-CG 3.31Å; D60-N82 PolarHBondContact O-OD1 3.36Å; N82-L114 CarbonylContact O-C 3.49Å; N82-L114 WeakPolarHBondContact O-CA 3.4Å; N82-L114 WeakPolarHBondContact O-CD2 3.32Å; N82-V115 HydrophobicContact CB-CB 4.29Å; N82-V115 PolarHBondContact N-O 3.14Å; N82-V115 PolarHBondContact O-N 3.39Å; N82-N117 PolarHBondContact ND2-ND2 3.31Å |
| 83 | G | 78.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | 104 | 3.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D60 S85 A86 | D60-G83 PolarHBondContact OD1-N 3.32Å; D60-G83 PolarHBondContact OD2-N 3.32Å; G83-S85 PolarHBondContact O-N 2.9Å; G83-A86 PolarHBondContact O-N 2.95Å | ||
| 84 | L | 76.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -19.4 | 178 | -73.5 | 173.7 | 0 | 0 | 0 | 113 | D60 Y63 I81 I87 F111 L114 I210 | D60-L84 PolarHBondContact OD1-N 3.24Å; Y63-L84 HydrophobicContact CD1-CD1 4.32Å; Y63-L84 HydrophobicContact CD2-CD1 4.02Å; Y63-L84 HydrophobicContact CE1-CD1 4.25Å; Y63-L84 HydrophobicContact CE2-CB 3.88Å; Y63-L84 HydrophobicContact CE2-CD1 3.97Å; Y63-L84 HydrophobicContact CE2-CG 4.48Å; Y63-L84 HydrophobicContact CG-CD1 4.14Å; I81-L84 HydrophobicContact CB-CD1 4.26Å; I81-L84 HydrophobicContact CG2-CD1 4Å; I81-L84 HydrophobicContact CG2-CD2 4.48Å; I81-L84 HydrophobicContact CG2-CG 3.94Å; L84-I87 WeakPolarHBondContact O-CD1 3.34Å; L84-I87 WeakPolarHBondContact O-CG1 3.49Å; L84-F111 HydrophobicContact CB-CE1 4.45Å; L84-F111 HydrophobicContact CD2-CD1 4.34Å; L84-F111 HydrophobicContact CD2-CE1 3.75Å; L84-F111 HydrophobicContact CD2-CZ 4.12Å; L84-F111 WeakPolarHBondContact O-CE1 3.38Å; L84-L114 HydrophobicContact CD2-CD1 4.46Å; L84-L114 HydrophobicContact CD2-CD2 3.97Å; L84-L114 HydrophobicContact CG-CD2 4.15Å; L84-I210 HydrophobicContact CD2-CD1 4.11Å; L84-I210 HydrophobicContact CD2-CG1 4.37Å |
| 85 | S | 71.8 | Confident | 77.1 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -18.9 | 174.8 | 66.1 | 0 | 0 | 0 | 0 | 114 | D60 G83 I87 | D60-S85 WeakPolarHBondContact OD1-CB 3.25Å; D60-S85 PolarHBondContact OD1-N 2.88Å; D60-S85 PolarHBondContact OD1-OG 3.37Å; D60-S85 PolarHBondContact OD2-OG 2.94Å; G83-S85 PolarHBondContact O-N 2.9Å; S85-I87 PolarHBondContact O-N 3.49Å |
| 86 | A | 76 | Confident | 76.6 | Confident | 33 Ų | 33 | 42 Ų | 42 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | trans | -87 | 46.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G83 | G83-A86 PolarHBondContact O-N 2.95Š| ||
| 87 | I | 78.3 | Confident | 75.8 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 140.3 | -176.7 | -63.2 | 138.1 | 0 | 0 | 0 | 110.4 | Q47 E51 L54 L84 S85 L109 F111 | Q47-I87 PolarHBondContact NE2-O 3.35Å; E51-I87 HydrophobicContact CB-CD1 3.92Å; E51-I87 HydrophobicContact CG-CD1 4.16Å; L54-I87 HydrophobicContact CB-CD1 4.07Å; L54-I87 HydrophobicContact CD1-CD1 3.29Å; L54-I87 HydrophobicContact CD1-CG1 3.88Å; L54-I87 HydrophobicContact CG-CD1 4.26Å; L84-I87 WeakPolarHBondContact O-CD1 3.34Å; L84-I87 WeakPolarHBondContact O-CG1 3.49Å; S85-I87 PolarHBondContact O-N 3.49Å; I87-L109 HydrophobicContact CG2-CB 4.39Å; I87-L109 HydrophobicContact CG2-CD2 4.1Å; I87-F111 HydrophobicContact CB-CE1 4.32Å; I87-F111 HydrophobicContact CD1-CE1 4.13Å; I87-F111 HydrophobicContact CG1-CD1 3.8Å; I87-F111 HydrophobicContact CG1-CE1 3.16Å; I87-F111 HydrophobicContact CG1-CZ 3.68Å |
| 88 | K | 82.4 | Confident | 75.3 | Confident | 91 Ų | 91 | 45.8 Ų | 45.8 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 153.3 | 164.9 | -64.6 | 171.7 | -178.9 | 166.3 | 0 | 109.3 | L109 L110 D112 | K88-L109 CarbonylContact O-C 3.59Å; K88-L110 HydrophobicContact CB-CB 4.37Å; K88-L110 PolarHBondContact N-O 3.29Å; K88-L110 PolarHBondContact O-N 3.12Å; K88-D112 IonicContact NZ-OD1 3.07Å; K88-D112 PolarHBondContact NZ-OD1 2.71Å; K88-D112 IonicContact NZ-OD2 3.38Å; K88-D112 PolarHBondContact NZ-OD2 3.48Å |
| 89 | F | 79.4 | Confident | 74.9 | Confident | 34 Ų | 34 | 48 Ų | 48 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.6 | 165.2 | -67.7 | -51.8 | 0 | 0 | 0 | 110.2 | S43 L46 Q47 I50 G91 F107 L109 | S43-F89 WeakPolarHBondContact O-CE2 3.5Å; L46-F89 HydrophobicContact CB-CE2 3.99Å; L46-F89 HydrophobicContact CB-CZ 4.25Å; L46-F89 HydrophobicContact CD2-CE2 4.04Å; L46-F89 HydrophobicContact CD2-CZ 4.01Å; L46-F89 HydrophobicContact CG-CE2 4.08Å; L46-F89 HydrophobicContact CG-CZ 3.89Å; Q47-F89 HydrophobicContact CB-CD2 3.94Å; Q47-F89 HydrophobicContact CB-CE2 3.51Å; Q47-F89 HydrophobicContact CB-CZ 4.14Å; Q47-F89 HydrophobicContact CG-CE2 4.39Å; Q47-F89 VanDerWaalsContact N-CE2 3.26Å; I50-F89 HydrophobicContact CB-CZ 4.36Å; I50-F89 HydrophobicContact CG1-CE1 4.12Å; I50-F89 HydrophobicContact CG1-CZ 3.88Å; F89-G91 VanDerWaalsContact C-N 3.34Å; F89-F107 HydrophobicContact CE1-CB 4.32Å; F89-F107 AromaticContact CE1-CD1 3.75Å; F89-F107 HydrophobicContact CE1-CD1 3.75Å; F89-F107 HydrophobicContact CE1-CG 4.49Å; F89-F107 HydrophobicContact CZ-CD1 4.09Å; F89-L109 HydrophobicContact CD1-CD2 3.69Å; F89-L109 HydrophobicContact CE1-CD2 3.49Å; F89-L109 VanDerWaalsContact CE1-CD2 3.49Å |
| 90 | A | 79 | Confident | 74.7 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -86.9 | -7.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T108 L110 | A90-T108 HydrophobicContact CB-CG2 3.63Å; A90-T108 PolarHBondContact N-O 2.89Å; A90-L110 HydrophobicContact CB-CB 3.98Å |
| 91 | G | 70.8 | Confident | 74 | Confident | 32 Ų | 32 | 47.3 Ų | 47.3 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -173.6 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111 | F89 | F89-G91 VanDerWaalsContact C-N 3.34Š|
| 92 | P | 68.5 | Low | 73.6 | Confident | 89 Ų | 89 | 48.8 Ų | 48.8 | 58% | 0.578 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 161.7 | 173.5 | 29.7 | -35 | 0 | 0 | 0 | 111.1 | ||
| 93 | V | 71.2 | Confident | 73 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 123.2 | 172.9 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | L41 L46 I106 F107 | L41-V93 HydrophobicContact CD1-CB 4.4Å; L46-V93 HydrophobicContact CD2-CB 4.38Å; L46-V93 HydrophobicContact CD2-CG2 3.48Å; L46-V93 VanDerWaalsContact CD2-CG2 3.48Å; V93-I106 WeakPolarHBondContact CA-O 3.32Å; V93-F107 HydrophobicContact CB-CD1 4.31Å; V93-F107 HydrophobicContact CB-CE1 4.39Å; V93-F107 HydrophobicContact CG1-CD1 3.87Å; V93-F107 HydrophobicContact CG1-CE1 3.72Å; V93-F107 HydrophobicContact CG1-CE2 4.43Å; V93-F107 HydrophobicContact CG1-CG 4.32Å; V93-F107 HydrophobicContact CG1-CZ 4Å; V93-F107 HydrophobicContact CG2-CD1 3.43Å; V93-F107 VanDerWaalsContact CG2-CD1 3.43Å; V93-F107 HydrophobicContact CG2-CE1 3.72Å; V93-F107 HydrophobicContact CG2-CG 4.31Å |
| 94 | D | 70.9 | Confident | 72.8 | Confident | 80 Ų | 80 | 50.2 Ų | 50.2 | 43% | 0.428 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 128.8 | 176 | -53.8 | -51.8 | 0 | 0 | 0 | 109.3 | L105 I106 | D94-L105 CarbonylContact O-C 3.59Å; D94-L105 WeakPolarHBondContact O-CA 3.26Å; D94-I106 HydrophobicContact CB-CB 4.14Å; D94-I106 PolarHBondContact N-O 3.16Å; D94-I106 PolarHBondContact O-N 2.91Å |
| 95 | I | 70.5 | Confident | 72.8 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 119 | 177.3 | -54 | 169.7 | 0 | 0 | 0 | 106.7 | I17 C37 L41 I103 R104 L105 | I17-I95 HydrophobicContact CG2-CD1 3.48Å; I17-I95 VanDerWaalsContact CG2-CD1 3.48Å; I17-I95 HydrophobicContact CG2-CG1 4.34Å; C37-I95 HydrophobicContact CB-CD1 4.25Å; L41-I95 HydrophobicContact CD1-CD1 4.19Å; I95-I103 HydrophobicContact CG2-CG2 3.78Å; I95-R104 WeakPolarHBondContact CA-O 3.36Å; I95-L105 HydrophobicContact CB-CD2 4.24Å; I95-L105 HydrophobicContact CD1-CD2 4.5Å; I95-L105 HydrophobicContact CG1-CD2 3.73Å; I95-L105 HydrophobicContact CG2-CD2 3.95Å |
| 96 | I | 71.3 | Confident | 73.3 | Confident | 71 Ų | 71 | 49.8 Ų | 49.8 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 116.2 | -177.7 | -54.7 | 170.5 | 0 | 0 | 0 | 108.7 | L98 R104 I106 | I96-L98 HydrophobicContact CG2-CD2 4.32Å; I96-R104 HydrophobicContact CB-CB 4.24Å; I96-R104 PolarHBondContact N-O 3.39Å; I96-R104 PolarHBondContact O-N 2.98Å; I96-I106 HydrophobicContact CD1-CD1 3.76Å |
| 97 | D | 65.3 | Low | 73.7 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 125.8 | 168.3 | -67.2 | -54.4 | 0 | 0 | 0 | 109.9 | I103 | D97-I103 WeakPolarHBondContact OD1-CG1 3.42Å |
| 98 | L | 71.4 | Confident | 74 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 29% | 0.288 | 29% | 0.291 | S | S | . | . | trans | -93.6 | 149.1 | 177.6 | -62.4 | 175.1 | 0 | 0 | 0 | 110.4 | I96 S100 G101 N102 R104 L146 | I96-L98 HydrophobicContact CG2-CD2 4.32Å; L98-S100 PolarHBondContact O-N 3.21Å; L98-G101 PolarHBondContact O-N 3Å; L98-N102 HydrophobicContact CB-CB 4.4Å; L98-N102 WeakPolarHBondContact CB-O 3.37Å; L98-N102 HydrophobicContact CD1-CB 4.09Å; L98-N102 PolarHBondContact N-O 3.46Å; L98-R104 HydrophobicContact CD1-CB 4.46Å; L98-L146 HydrophobicContact CD1-CD1 3.6Å | ||
| 99 | P | 71.6 | Confident | 74.3 | Confident | 143 Ų | 143 | 45.4 Ų | 45.4 | 93% | 0.929 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.9 | 177.5 | -26.5 | 34.5 | 0 | 0 | 0 | 114.6 | G101 | P99-G101 PolarHBondContact O-N 3.31Š|
| 100 | S | 72.9 | Confident | 74.7 | Confident | 72 Ų | 72 | 45.3 Ų | 45.3 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -3.9 | 175.4 | 64.3 | 0 | 0 | 0 | 0 | 114.1 | L98 N102 | L98-S100 PolarHBondContact O-N 3.21Å; S100-N102 VanDerWaalsContact C-N 3.28Å; S100-N102 PolarHBondContact OG-N 2.8Å; S100-N102 PolarHBondContact OG-ND2 3.22Å; S100-N102 VanDerWaalsContact OG-ND2 3.16Å |
| 101 | G | 65.7 | Low | 75 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 82.6 | -0.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R22 L98 P99 Q149 | R22-G101 PolarHBondContact NH2-O 2.92Å; L98-G101 PolarHBondContact O-N 3Å; P99-G101 PolarHBondContact O-N 3.31Å; G101-Q149 WeakPolarHBondContact O-CG 3.37Å; G101-Q149 PolarHBondContact O-OE1 2.91Å |
| 102 | N | 71.7 | Confident | 75.7 | Confident | 31 Ų | 31 | 45.2 Ų | 45.2 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | trans | -78.2 | 160 | 174.1 | -63.8 | -23.3 | 0 | 0 | 0 | 110.9 | L98 S100 L146 L147 I148 Q149 | L98-N102 HydrophobicContact CB-CB 4.4Å; L98-N102 WeakPolarHBondContact CB-O 3.37Å; L98-N102 HydrophobicContact CD1-CB 4.09Å; L98-N102 PolarHBondContact N-O 3.46Å; S100-N102 VanDerWaalsContact C-N 3.28Å; S100-N102 PolarHBondContact OG-N 2.8Å; S100-N102 PolarHBondContact OG-ND2 3.22Å; S100-N102 VanDerWaalsContact OG-ND2 3.16Å; N102-L146 HydrophobicContact CB-CD1 3.89Å; N102-L147 WeakPolarHBondContact CA-O 3.11Å; N102-L147 WeakPolarHBondContact CB-O 3.49Å; N102-I148 WeakPolarHBondContact OD1-CA 3.06Å; N102-Q149 PolarHBondContact OD1-N 2.84Å | ||
| 103 | I | 68.1 | Low | 76.5 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 132.4 | 178.7 | -63.5 | 173 | 0 | 0 | 0 | 108.7 | V18 I95 D97 L105 L147 | V18-I103 HydrophobicContact CB-CD1 3.85Å; V18-I103 HydrophobicContact CG1-CD1 3.27Å; V18-I103 HydrophobicContact CG2-CD1 3.72Å; I95-I103 HydrophobicContact CG2-CG2 3.78Å; D97-I103 WeakPolarHBondContact OD1-CG1 3.42Å; I103-L105 HydrophobicContact CG2-CD2 4.06Å; I103-L105 HydrophobicContact CG2-CG 4.43Å; I103-L147 HydrophobicContact CB-CB 4.27Å; I103-L147 HydrophobicContact CB-CD2 4.43Å; I103-L147 HydrophobicContact CD1-CD2 4.48Å; I103-L147 PolarHBondContact N-O 2.98Å; I103-L147 PolarHBondContact O-N 3.36Å |
| 104 | R | 75.6 | Confident | 77.2 | Confident | 70 Ų | 70 | 46 Ų | 46 | 26% | 0.264 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.2 | 176.2 | -168.2 | -179.3 | 177.2 | -163.6 | -4.3 | 109.1 | I95 I96 L98 I106 D144 L145 | I95-R104 WeakPolarHBondContact CA-O 3.36Å; I96-R104 HydrophobicContact CB-CB 4.24Å; I96-R104 PolarHBondContact N-O 3.39Å; I96-R104 PolarHBondContact O-N 2.98Å; L98-R104 HydrophobicContact CD1-CB 4.46Å; R104-I106 HydrophobicContact CG-CG1 4.15Å; R104-D144 WeakPolarHBondContact CD-OD1 3.43Å; R104-D144 WeakPolarHBondContact CG-OD1 3.22Å; R104-D144 IonicContact CZ-OD1 3.8Å; R104-D144 IonicContact CZ-OD2 3.1Å; R104-D144 IonicContact NE-OD1 2.82Å; R104-D144 PolarHBondContact NE-OD1 2.81Å; R104-D144 IonicContact NE-OD2 2.85Å; R104-D144 PolarHBondContact NE-OD2 2.92Å; R104-D144 IonicContact NH2-OD1 3.95Å; R104-D144 IonicContact NH2-OD2 2.63Å; R104-D144 PolarHBondContact NH2-OD2 3.28Å; R104-L145 CarbonylContact C-O 3.59Å; R104-L145 WeakPolarHBondContact CA-O 3.38Å |
| 105 | L | 77.4 | Confident | 77.9 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.6 | 176.5 | -58.3 | 176.5 | 0 | 0 | 0 | 108.6 | I13 I17 D94 I95 I103 F107 L145 | I13-L105 HydrophobicContact CG2-CD1 4.25Å; I17-L105 HydrophobicContact CG2-CD2 4.32Å; D94-L105 CarbonylContact O-C 3.59Å; D94-L105 WeakPolarHBondContact O-CA 3.26Å; I95-L105 HydrophobicContact CB-CD2 4.24Å; I95-L105 HydrophobicContact CD1-CD2 4.5Å; I95-L105 HydrophobicContact CG1-CD2 3.73Å; I95-L105 HydrophobicContact CG2-CD2 3.95Å; I103-L105 HydrophobicContact CG2-CD2 4.06Å; I103-L105 HydrophobicContact CG2-CG 4.43Å; L105-F107 HydrophobicContact CB-CD2 4.47Å; L105-F107 HydrophobicContact CB-CE2 3.54Å; L105-F107 HydrophobicContact CB-CZ 3.93Å; L105-F107 HydrophobicContact CD1-CZ 4.3Å; L105-L145 HydrophobicContact CB-CB 4.37Å; L105-L145 PolarHBondContact N-O 2.75Å; L105-L145 PolarHBondContact O-N 3.11Å |
| 106 | I | 81.4 | Confident | 78.6 | Confident | 16 Ų | 16 | 41.2 Ų | 41.2 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.9 | -178.9 | -51.7 | 177.2 | 0 | 0 | 0 | 109 | V93 D94 I96 R104 L142 L143 | V93-I106 WeakPolarHBondContact CA-O 3.32Å; D94-I106 HydrophobicContact CB-CB 4.14Å; D94-I106 PolarHBondContact N-O 3.16Å; D94-I106 PolarHBondContact O-N 2.91Å; I96-I106 HydrophobicContact CD1-CD1 3.76Å; R104-I106 HydrophobicContact CG-CG1 4.15Å; I106-L142 HydrophobicContact CG2-CD1 3.74Å; I106-L142 HydrophobicContact CG2-CD2 3.98Å; I106-L142 HydrophobicContact CG2-CG 3.72Å; I106-L143 CarbonylContact C-O 3.6Å; I106-L143 WeakPolarHBondContact CA-O 3.24Å |
| 107 | F | 84.5 | Confident | 79.2 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.9 | 179.1 | -53.1 | -100.4 | 0 | 0 | 0 | 109.1 | L46 I50 F89 V93 L105 L109 L142 L143 L145 | L46-F107 HydrophobicContact CD1-CE1 4Å; L46-F107 HydrophobicContact CD2-CD1 4.26Å; L46-F107 HydrophobicContact CD2-CE1 3.67Å; L46-F107 HydrophobicContact CG-CE1 3.89Å; I50-F107 HydrophobicContact CD1-CD1 4.18Å; I50-F107 HydrophobicContact CD1-CE1 3.95Å; I50-F107 HydrophobicContact CD1-CE2 4.4Å; I50-F107 HydrophobicContact CD1-CG 4.48Å; I50-F107 HydrophobicContact CD1-CZ 4.09Å; I50-F107 HydrophobicContact CG1-CD1 4.13Å; I50-F107 HydrophobicContact CG1-CE1 4.11Å; F89-F107 HydrophobicContact CE1-CB 4.32Å; F89-F107 AromaticContact CE1-CD1 3.75Å; F89-F107 HydrophobicContact CE1-CD1 3.75Å; F89-F107 HydrophobicContact CE1-CG 4.49Å; F89-F107 HydrophobicContact CZ-CD1 4.09Å; V93-F107 HydrophobicContact CB-CD1 4.31Å; V93-F107 HydrophobicContact CB-CE1 4.39Å; V93-F107 HydrophobicContact CG1-CD1 3.87Å; V93-F107 HydrophobicContact CG1-CE1 3.72Å; V93-F107 HydrophobicContact CG1-CE2 4.43Å; V93-F107 HydrophobicContact CG1-CG 4.32Å; V93-F107 HydrophobicContact CG1-CZ 4Å; V93-F107 HydrophobicContact CG2-CD1 3.43Å; V93-F107 VanDerWaalsContact CG2-CD1 3.43Å; V93-F107 HydrophobicContact CG2-CE1 3.72Å; V93-F107 HydrophobicContact CG2-CG 4.31Å; L105-F107 HydrophobicContact CB-CD2 4.47Å; L105-F107 HydrophobicContact CB-CE2 3.54Å; L105-F107 HydrophobicContact CB-CZ 3.93Å; L105-F107 HydrophobicContact CD1-CZ 4.3Å; F107-L109 HydrophobicContact CB-CD2 3.87Å; F107-L109 HydrophobicContact CB-CG 4.43Å; F107-L142 WeakPolarHBondContact O-CA 3.3Å; F107-L143 HydrophobicContact CB-CB 4.26Å; F107-L143 HydrophobicContact CD2-CD2 4.34Å; F107-L143 HydrophobicContact CD2-CG 4.32Å; F107-L143 PolarHBondContact N-O 3.21Å; F107-L143 PolarHBondContact O-N 2.94Å; F107-L145 HydrophobicContact CD2-CD1 4.43Å; F107-L145 HydrophobicContact CD2-CG 4.47Å; F107-L145 HydrophobicContact CE2-CB 4.45Å; F107-L145 HydrophobicContact CE2-CD1 3.71Å; F107-L145 HydrophobicContact CE2-CG 4.04Å; F107-L145 HydrophobicContact CZ-CD1 4.39Å |
| 108 | T | 85.2 | Confident | 80.1 | Confident | 31 Ų | 31 | 36.2 Ų | 36.2 | 19% | 0.19 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 104.9 | 166.8 | -52.7 | 0 | 0 | 0 | 0 | 108.8 | A90 I172 | A90-T108 HydrophobicContact CB-CG2 3.63Å; A90-T108 PolarHBondContact N-O 2.89Å; T108-I172 HydrophobicContact CG2-CD1 4.16Å |
| 109 | L | 87.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 139.8 | -179.9 | -48.7 | -177.6 | 0 | 0 | 0 | 110 | I50 L54 I87 K88 F89 F107 F111 K140 I141 L143 | I50-L109 HydrophobicContact CG2-CD1 3.98Å; I50-L109 HydrophobicContact CG2-CD2 3.85Å; L54-L109 HydrophobicContact CD1-CD1 4.01Å; I87-L109 HydrophobicContact CG2-CB 4.39Å; I87-L109 HydrophobicContact CG2-CD2 4.1Å; K88-L109 CarbonylContact O-C 3.59Å; F89-L109 HydrophobicContact CD1-CD2 3.69Å; F89-L109 HydrophobicContact CE1-CD2 3.49Å; F89-L109 VanDerWaalsContact CE1-CD2 3.49Å; F107-L109 HydrophobicContact CB-CD2 3.87Å; F107-L109 HydrophobicContact CB-CG 4.43Å; L109-F111 HydrophobicContact CB-CE2 3.82Å; L109-F111 HydrophobicContact CB-CZ 4.33Å; L109-F111 HydrophobicContact CD1-CZ 4.36Å; L109-K140 CarbonylContact O-C 3.55Å; L109-K140 VanDerWaalsContact O-CA 3.24Å; L109-K140 WeakPolarHBondContact O-CA 3.42Å; L109-I141 HydrophobicContact CB-CB 4.41Å; L109-I141 PolarHBondContact N-O 3.23Å; L109-I141 PolarHBondContact O-N 3.26Å; L109-L143 HydrophobicContact CD1-CB 4.11Å; L109-L143 HydrophobicContact CD1-CD2 4.22Å; L109-L143 HydrophobicContact CG-CB 4.43Å |
| 110 | L | 87 | Confident | 81.2 | Confident | 32 Ų | 32 | 31 Ų | 31 | 17% | 0.168 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.2 | 174.1 | 176.8 | 69.3 | 0 | 0 | 0 | 109 | K88 A90 I139 K140 | K88-L110 HydrophobicContact CB-CB 4.37Å; K88-L110 PolarHBondContact N-O 3.29Å; K88-L110 PolarHBondContact O-N 3.12Å; A90-L110 HydrophobicContact CB-CB 3.98Å; L110-I139 WeakPolarHBondContact CA-O 3.27Å; L110-K140 HydrophobicContact CD1-CG 3.69Å |
| 111 | F | 86.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126 | 170.3 | -46.2 | -111.4 | 0 | 0 | 0 | 108.2 | L54 L84 I87 L109 Y113 L114 S138 I139 I141 | L54-F111 HydrophobicContact CD1-CE1 4.48Å; L54-F111 HydrophobicContact CD1-CZ 4.14Å; L84-F111 HydrophobicContact CB-CE1 4.45Å; L84-F111 HydrophobicContact CD2-CD1 4.34Å; L84-F111 HydrophobicContact CD2-CE1 3.75Å; L84-F111 HydrophobicContact CD2-CZ 4.12Å; L84-F111 WeakPolarHBondContact O-CE1 3.38Å; I87-F111 HydrophobicContact CB-CE1 4.32Å; I87-F111 HydrophobicContact CD1-CE1 4.13Å; I87-F111 HydrophobicContact CG1-CD1 3.8Å; I87-F111 HydrophobicContact CG1-CE1 3.16Å; I87-F111 HydrophobicContact CG1-CZ 3.68Å; L109-F111 HydrophobicContact CB-CE2 3.82Å; L109-F111 HydrophobicContact CB-CZ 4.33Å; L109-F111 HydrophobicContact CD1-CZ 4.36Å; F111-Y113 PolarHBondContact O-N 2.85Å; F111-L114 HydrophobicContact CB-CD2 4.43Å; F111-L114 HydrophobicContact CB-CG 4.44Å; F111-L114 HydrophobicContact CD1-CD2 4.36Å; F111-S138 CarbonylContact O-C 3.57Å; F111-S138 VanDerWaalsContact O-CA 3.26Å; F111-S138 WeakPolarHBondContact O-CA 3.32Å; F111-I139 HydrophobicContact CB-CG2 3.55Å; F111-I139 HydrophobicContact CD2-CG2 3.79Å; F111-I139 HydrophobicContact CG-CG2 3.99Å; F111-I139 PolarHBondContact N-O 2.85Å; F111-I139 PolarHBondContact O-N 3.01Å; F111-I141 HydrophobicContact CD2-CD1 4.15Å; F111-I141 HydrophobicContact CD2-CG1 4.27Å; F111-I141 HydrophobicContact CE2-CB 4.26Å; F111-I141 HydrophobicContact CE2-CD1 3.57Å; F111-I141 HydrophobicContact CE2-CG1 3.85Å; F111-I141 HydrophobicContact CZ-CD1 4.28Å |
| 112 | D | 85.8 | Confident | 82 | Confident | 75 Ų | 75 | 29.7 Ų | 29.7 | 40% | 0.401 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | -32.6 | -175.8 | -67.1 | -26 | 0 | 0 | 0 | 112 | K88 S138 | K88-D112 IonicContact NZ-OD1 3.07Å; K88-D112 PolarHBondContact NZ-OD1 2.71Å; K88-D112 IonicContact NZ-OD2 3.38Å; K88-D112 PolarHBondContact NZ-OD2 3.48Å; D112-S138 PolarHBondContact O-N 3.49Å |
| 113 | Y | 85.6 | Confident | 81.8 | Confident | 116 Ų | 116 | 32.5 Ų | 32.5 | 46% | 0.455 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 147.2 | 176.3 | 70.2 | -83.9 | 0 | 0 | 0 | 110.8 | F111 V115 I136 | F111-Y113 PolarHBondContact O-N 2.85Å; Y113-V115 HydrophobicContact CD2-CG2 4.14Å; Y113-I136 CarbonylContact C-O 3.51Å; Y113-I136 WeakPolarHBondContact CA-O 3.44Å |
| 114 | L | 85.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.2 | 163.1 | -71 | -176.9 | 0 | 0 | 0 | 109.3 | I81 N82 L84 F111 I136 I139 | I81-L114 HydrophobicContact CG2-CD1 4.4Å; I81-L114 HydrophobicContact CG2-CD2 4.14Å; N82-L114 CarbonylContact O-C 3.49Å; N82-L114 WeakPolarHBondContact O-CA 3.4Å; N82-L114 WeakPolarHBondContact O-CD2 3.32Å; L84-L114 HydrophobicContact CD2-CD1 4.46Å; L84-L114 HydrophobicContact CD2-CD2 3.97Å; L84-L114 HydrophobicContact CG-CD2 4.15Å; F111-L114 HydrophobicContact CB-CD2 4.43Å; F111-L114 HydrophobicContact CB-CG 4.44Å; F111-L114 HydrophobicContact CD1-CD2 4.36Å; L114-I136 HydrophobicContact CB-CB 4.4Å; L114-I136 PolarHBondContact N-O 3.46Å; L114-I136 PolarHBondContact O-N 2.93Å; L114-I139 HydrophobicContact CD1-CD1 3.78Å; L114-I139 HydrophobicContact CD1-CG2 3.62Å; L114-I139 HydrophobicContact CG-CG2 3.75Å |
| 115 | V | 85.1 | Confident | 80.9 | Confident | 22 Ų | 22 | 38 Ų | 38 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.6 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 109 | N82 Y113 E133 I134 K135 | N82-V115 HydrophobicContact CB-CB 4.29Å; N82-V115 PolarHBondContact N-O 3.14Å; N82-V115 PolarHBondContact O-N 3.39Å; Y113-V115 HydrophobicContact CD2-CG2 4.14Å; V115-E133 HydrophobicContact CG1-CG 3.61Å; V115-E133 WeakPolarHBondContact CG1-OE1 3.48Å; V115-I134 WeakPolarHBondContact CA-O 3.43Å; V115-K135 HydrophobicContact CG2-CG 4.42Å |
| 116 | I | 84.5 | Confident | 80 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109.8 | 178.3 | -49.7 | 175.9 | 0 | 0 | 0 | 108.6 | F76 I79 R80 I81 E133 I134 I136 I202 I206 | F76-I116 HydrophobicContact CE1-CG2 3.91Å; F76-I116 HydrophobicContact CZ-CG2 4.41Å; I79-I116 HydrophobicContact CG2-CG2 3.21Å; R80-I116 CarbonylContact O-C 3.58Å; R80-I116 VanDerWaalsContact O-CA 3.22Å; R80-I116 WeakPolarHBondContact O-CA 3.49Å; I81-I116 HydrophobicContact CG1-CG1 4.38Å; I116-E133 CarbonylContact O-C 3.38Å; I116-E133 WeakPolarHBondContact O-CA 3.44Å; I116-I134 HydrophobicContact CB-CB 4.11Å; I116-I134 PolarHBondContact N-O 3.39Å; I116-I134 PolarHBondContact O-N 2.9Å; I116-I136 HydrophobicContact CD1-CD1 3.83Å; I116-I202 HydrophobicContact CD1-CG2 3.99Å; I116-I206 HydrophobicContact CD1-CD1 3.6Å; I116-I206 HydrophobicContact CD1-CG1 3.98Å |
| 117 | N | 85.4 | Confident | 79.1 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 145.6 | 179.2 | -67.2 | -55.4 | 0 | 0 | 0 | 110.2 | I79 R80 N82 E133 | I79-N117 CarbonylContact C-O 3.57Å; I79-N117 WeakPolarHBondContact CA-O 3.2Å; R80-N117 PolarHBondContact N-O 2.95Å; R80-N117 PolarHBondContact O-N 3.39Å; N82-N117 PolarHBondContact ND2-ND2 3.31Å; N117-E133 WeakPolarHBondContact OD1-CB 3.26Å; N117-E133 WeakPolarHBondContact OD1-CG 3.44Å |
| 118 | G | 83.6 | Confident | 78.6 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | -169.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | F77 S131 V132 | F77-G118 CarbonylContact O-C 3.5Å; F77-G118 WeakPolarHBondContact O-CA 3.41Å; G118-S131 CarbonylContact O-C 3.56Å; G118-S131 VanDerWaalsContact O-CA 3.32Å; G118-S131 WeakPolarHBondContact O-CA 3.3Å; G118-V132 PolarHBondContact N-O 3.21Å; G118-V132 PolarHBondContact O-N 2.86Å |
| 119 | K | 84.4 | Confident | 78.3 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.5 | 175.9 | -63.5 | 179.5 | -167.7 | 145.8 | 0 | 110.2 | F76 F77 D78 L129 R130 | F76-K119 CarbonylContact C-O 3.53Å; F76-K119 WeakPolarHBondContact CA-O 3.44Å; F76-K119 WeakPolarHBondContact CD2-O 3.49Å; F77-K119 PolarHBondContact N-O 2.89Å; F77-K119 PolarHBondContact O-N 2.98Å; D78-K119 WeakPolarHBondContact OD2-CE 3.47Å; D78-K119 IonicContact OD2-NZ 2.81Å; D78-K119 PolarHBondContact OD2-NZ 3.49Å; K119-L129 HydrophobicContact CB-CD2 4.21Å; K119-R130 CarbonylContact C-O 3.53Å; K119-R130 VanDerWaalsContact CA-O 3.31Å; K119-R130 WeakPolarHBondContact CA-O 3.38Å |
| 120 | M | 81 | Confident | 77.8 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.5 | 180 | -162.9 | 170 | 110.6 | 0 | 0 | 111.5 | A74 K75 F76 M122 R130 V132 F185 F189 | A74-M120 HydrophobicContact CB-CE 3.48Å; A74-M120 VanDerWaalsContact CB-CE 3.48Å; A74-M120 HydrophobicContact CB-CG 4.18Å; A74-M120 HydrophobicContact CB-SD 4.02Å; K75-M120 CarbonylContact O-C 3.48Å; K75-M120 VanDerWaalsContact O-CA 3.29Å; K75-M120 WeakPolarHBondContact O-CA 3.3Å; K75-M120 WeakPolarHBondContact O-CG 3.38Å; F76-M120 HydrophobicContact CD2-CB 4.02Å; M120-M122 HydrophobicContact CE-CE 3.29Å; M120-M122 HydrophobicContact CE-CG 3.77Å; M120-M122 HydrophobicContact CE-SD 4.34Å; M120-R130 PolarHBondContact N-O 2.9Å; M120-R130 PolarHBondContact O-N 3.49Å; M120-V132 HydrophobicContact CB-CG2 3.66Å; M120-V132 HydrophobicContact SD-CG2 4.44Å; M120-F185 HydrophobicContact CB-CE2 4.4Å; M120-F185 HydrophobicContact CB-CZ 3.75Å; M120-F185 HydrophobicContact CE-CE1 3.68Å; M120-F185 HydrophobicContact CE-CE2 3.44Å; M120-F185 VanDerWaalsContact CE-CE2 3.44Å; M120-F185 HydrophobicContact CE-CZ 2.92Å; M120-F185 HydrophobicContact CG-CE2 4.45Å; M120-F185 HydrophobicContact CG-CZ 3.89Å; M120-F185 HydrophobicContact SD-CE1 4.27Å; M120-F185 HydrophobicContact SD-CE2 4.49Å; M120-F185 HydrophobicContact SD-CZ 3.6Å; M120-F189 HydrophobicContact CE-CD2 3.07Å; M120-F189 HydrophobicContact CE-CE2 3.24Å; M120-F189 HydrophobicContact CE-CG 4.13Å; M120-F189 HydrophobicContact CE-CZ 4.42Å; M120-F189 HydrophobicContact SD-CD2 3.91Å; M120-F189 HydrophobicContact SD-CE2 3.44Å; M120-F189 WeakPolarHBondContact SD-CE2 3.25Å; M120-F189 HydrophobicContact SD-CZ 4.24Å |
| 121 | N | 80.8 | Confident | 77.6 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 28% | 0.283 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.8 | 171.2 | -171.6 | -2.4 | 0 | 0 | 0 | 108.6 | A74 K75 F77 L129 | A74-N121 CarbonylContact C-O 3.54Å; A74-N121 VanDerWaalsContact CA-O 3.25Å; A74-N121 WeakPolarHBondContact CA-O 3.14Å; K75-N121 PolarHBondContact N-O 3.3Å; K75-N121 PolarHBondContact O-N 3.36Å; F77-N121 HydrophobicContact CE2-CB 3.92Å; N121-L129 HydrophobicContact CB-CD2 3.85Å |
| 122 | M | 74.1 | Confident | 77.3 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 5% | 0.054 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 114.7 | 170.4 | -71.7 | -178.8 | 176.2 | 0 | 0 | 108.2 | A74 M120 M124 F125 F185 F189 | A74-M122 HydrophobicContact CB-CG 3.99Å; M120-M122 HydrophobicContact CE-CE 3.29Å; M120-M122 HydrophobicContact CE-CG 3.77Å; M120-M122 HydrophobicContact CE-SD 4.34Å; M122-M124 PolarHBondContact O-N 3.38Å; M122-M124 VanDerWaalsContact O-N 3.12Å; M122-F125 HydrophobicContact CB-CD2 4.47Å; M122-F125 CarbonylContact O-C 3.59Å; M122-F125 PolarHBondContact O-N 3.02Å; M122-F125 HydrophobicContact SD-CD2 4.13Å; M122-F185 HydrophobicContact CE-CD1 4.44Å; M122-F185 HydrophobicContact CE-CD2 3.6Å; M122-F185 HydrophobicContact CE-CE1 4.31Å; M122-F185 HydrophobicContact CE-CE2 3.49Å; M122-F185 VanDerWaalsContact CE-CE2 3.49Å; M122-F185 HydrophobicContact CE-CG 4.13Å; M122-F185 HydrophobicContact CE-CZ 3.9Å; M122-F185 HydrophobicContact CG-CD2 4.4Å; M122-F185 HydrophobicContact CG-CE2 3.87Å; M122-F185 HydrophobicContact SD-CD2 3.81Å; M122-F185 HydrophobicContact SD-CE2 3.83Å; M122-F189 HydrophobicContact CE-CB 3.65Å; M122-F189 HydrophobicContact CE-CD2 3.75Å; M122-F189 HydrophobicContact CE-CG 4.2Å |
| 123 | T | 68.2 | Low | 77.2 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 56% | 0.558 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.1 | -176.3 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | T73 F125 | T73-T123 PolarHBondContact O-N 2.84Å; T73-T123 PolarHBondContact O-OG1 2.94Å; T73-T123 VanDerWaalsContact O-OG1 3.13Å; T123-F125 VanDerWaalsContact C-N 3.35Å |
| 124 | M | 63.8 | Low | 77.1 | Confident | 125 Ų | 125 | 58.3 Ų | 58.3 | 62% | 0.616 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -20.5 | -178.1 | -159.1 | 173.2 | -172.7 | 0 | 0 | 113.5 | M122 | M122-M124 PolarHBondContact O-N 3.38Å; M122-M124 VanDerWaalsContact O-N 3.12Å |
| 125 | F | 60.3 | Low | 77.1 | Confident | 64 Ų | 64 | 61.7 Ų | 61.7 | 28% | 0.281 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 112.7 | 175.9 | -62.5 | -81.8 | 0 | 0 | 0 | 106.6 | M122 T123 T127 F188 F192 | M122-F125 HydrophobicContact CB-CD2 4.47Å; M122-F125 CarbonylContact O-C 3.59Å; M122-F125 PolarHBondContact O-N 3.02Å; M122-F125 HydrophobicContact SD-CD2 4.13Å; T123-F125 VanDerWaalsContact C-N 3.35Å; F125-T127 HydrophobicContact CB-CG2 3.65Å; F125-T127 WeakPolarHBondContact O-CB 3.07Å; F125-T127 PolarHBondContact O-N 3.41Å; F125-T127 PolarHBondContact O-OG1 3.47Å; F125-F188 HydrophobicContact CE1-CE2 4.3Å; F125-F188 HydrophobicContact CE1-CZ 4.26Å; F125-F188 HydrophobicContact CE2-CB 4.46Å; F125-F188 HydrophobicContact CE2-CD1 4.37Å; F125-F188 HydrophobicContact CE2-CD2 4.44Å; F125-F188 HydrophobicContact CE2-CG 4.2Å; F125-F188 AromaticContact CZ-CD1 3.99Å; F125-F188 HydrophobicContact CZ-CD1 3.99Å; F125-F188 HydrophobicContact CZ-CD2 4.22Å; F125-F188 AromaticContact CZ-CE1 3.96Å; F125-F188 HydrophobicContact CZ-CE1 3.96Å; F125-F188 HydrophobicContact CZ-CE2 4.18Å; F125-F188 HydrophobicContact CZ-CG 4.12Å; F125-F188 HydrophobicContact CZ-CZ 4.06Å; F125-F192 AromaticContact CE2-CE2 3.91Å; F125-F192 HydrophobicContact CE2-CE2 3.91Å; F125-F192 HydrophobicContact CZ-CE2 4.03Å |
| 126 | A | 58.5 | Low | 77.1 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 98% | 0.983 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 62.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 127 | T | 62.7 | Low | 77.2 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | trans | -112 | 135.5 | -165.8 | 50.1 | 0 | 0 | 0 | 0 | 107.6 | F125 | F125-T127 HydrophobicContact CB-CG2 3.65Å; F125-T127 WeakPolarHBondContact O-CB 3.07Å; F125-T127 PolarHBondContact O-N 3.41Å; F125-T127 PolarHBondContact O-OG1 3.47Å | ||
| 128 | K | 74.2 | Confident | 77.2 | Confident | 192 Ų | 192 | 65.1 Ų | 65.1 | 84% | 0.835 | 35% | 0.346 | S | S | * | . | trans | -48.6 | 142.3 | 171.7 | -64.6 | 179.6 | 178.1 | -179.2 | 0 | 109.4 | R130 | K128-R130 WeakPolarHBondContact O-CG 3.44Å; K128-R130 PolarHBondContact O-N 3.45Å | ||
| 129 | L | 78.5 | Confident | 77.4 | Confident | 100 Ų | 100 | 64.7 Ų | 64.7 | 52% | 0.524 | 34% | 0.341 | S | S | . | . | trans | -45.8 | 126.2 | 171.8 | -76.8 | 160.4 | 0 | 0 | 0 | 109.9 | F77 K119 N121 | F77-L129 HydrophobicContact CD2-CD2 4.31Å; K119-L129 HydrophobicContact CB-CD2 4.21Å; N121-L129 HydrophobicContact CB-CD2 3.85Å | ||
| 130 | R | 78.1 | Confident | 77.6 | Confident | 95 Ų | 95 | 64.5 Ų | 64.5 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.8 | 179.5 | -62.7 | -164 | 180 | -158.3 | -0.1 | 110.6 | K119 M120 K128 V132 K182 | K119-R130 CarbonylContact C-O 3.53Å; K119-R130 VanDerWaalsContact CA-O 3.31Å; K119-R130 WeakPolarHBondContact CA-O 3.38Å; M120-R130 PolarHBondContact N-O 2.9Å; M120-R130 PolarHBondContact O-N 3.49Å; K128-R130 WeakPolarHBondContact O-CG 3.44Å; K128-R130 PolarHBondContact O-N 3.45Å; R130-V132 PolarHBondContact O-N 3.4Å; R130-K182 PolarHBondContact NH1-O 2.83Å |
| 131 | S | 82.1 | Confident | 78 | Confident | 97 Ų | 97 | 64.4 Ų | 64.4 | 68% | 0.678 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131.4 | 169.3 | -54.9 | 0 | 0 | 0 | 0 | 109.8 | G118 | G118-S131 CarbonylContact O-C 3.56Å; G118-S131 VanDerWaalsContact O-CA 3.32Å; G118-S131 WeakPolarHBondContact O-CA 3.3Å |
| 132 | V | 81.2 | Confident | 78.5 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.7 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 108 | F76 G118 M120 R130 I134 F179 F185 | F76-V132 HydrophobicContact CE2-CB 3.89Å; F76-V132 HydrophobicContact CE2-CG1 4.49Å; G118-V132 PolarHBondContact N-O 3.21Å; G118-V132 PolarHBondContact O-N 2.86Å; M120-V132 HydrophobicContact CB-CG2 3.66Å; M120-V132 HydrophobicContact SD-CG2 4.44Å; R130-V132 PolarHBondContact O-N 3.4Å; V132-I134 HydrophobicContact CG1-CG1 4.43Å; V132-F179 HydrophobicContact CG1-CD1 3.96Å; V132-F179 HydrophobicContact CG1-CE1 4.29Å; V132-F185 HydrophobicContact CG2-CE1 3.52Å; V132-F185 HydrophobicContact CG2-CZ 3.69Å |
| 133 | E | 83.9 | Confident | 79.2 | Confident | 56 Ų | 56 | 63.4 Ų | 63.4 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.1 | 175.5 | 178.8 | 176.3 | -171 | 0 | 0 | 109 | V115 I116 N117 K135 D180 | V115-E133 HydrophobicContact CG1-CG 3.61Å; V115-E133 WeakPolarHBondContact CG1-OE1 3.48Å; I116-E133 CarbonylContact O-C 3.38Å; I116-E133 WeakPolarHBondContact O-CA 3.44Å; N117-E133 WeakPolarHBondContact OD1-CB 3.26Å; N117-E133 WeakPolarHBondContact OD1-CG 3.44Å; E133-K135 HydrophobicContact CG-CG 4.15Å; E133-K135 WeakPolarHBondContact OE1-CE 3.4Å; E133-K135 IonicContact OE1-NZ 3.52Å; E133-K135 VanDerWaalsContact OE2-CE 3.31Å; E133-K135 WeakPolarHBondContact OE2-CE 3.43Å; E133-K135 IonicContact OE2-NZ 3.21Å; E133-K135 PolarHBondContact OE2-NZ 3.06Å; E133-D180 HydrophobicContact CB-CB 4.31Å; E133-D180 PolarHBondContact N-O 2.8Å; E133-D180 WeakPolarHBondContact O-CA 3.27Å; E133-D180 PolarHBondContact O-N 3.19Å |
| 134 | I | 82.7 | Confident | 80.1 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.6 | 176.3 | -45 | 176.4 | 0 | 0 | 0 | 107.1 | F76 V115 I116 V132 I136 L177 R178 F179 I202 | F76-I134 HydrophobicContact CE1-CD1 4.05Å; F76-I134 HydrophobicContact CZ-CD1 4.48Å; V115-I134 WeakPolarHBondContact CA-O 3.43Å; I116-I134 HydrophobicContact CB-CB 4.11Å; I116-I134 PolarHBondContact N-O 3.39Å; I116-I134 PolarHBondContact O-N 2.9Å; V132-I134 HydrophobicContact CG1-CG1 4.43Å; I134-I136 HydrophobicContact CG2-CG1 4.36Å; I134-L177 HydrophobicContact CG2-CD1 4.47Å; I134-L177 HydrophobicContact CG2-CD2 3.75Å; I134-L177 HydrophobicContact CG2-CG 3.94Å; I134-R178 CarbonylContact C-O 3.44Å; I134-R178 WeakPolarHBondContact CA-O 3.26Å; I134-F179 HydrophobicContact CD1-CD1 4.15Å; I134-F179 HydrophobicContact CD1-CE1 3.3Å; I134-F179 HydrophobicContact CD1-CZ 3.53Å; I134-F179 HydrophobicContact CG1-CD1 3.73Å; I134-F179 HydrophobicContact CG1-CE1 3.41Å; I134-F179 VanDerWaalsContact CG1-CE1 3.41Å; I134-F179 HydrophobicContact CG1-CZ 3.97Å; I134-F179 HydrophobicContact CG2-CE1 4.49Å; I134-F179 HydrophobicContact CG2-CE2 4.41Å; I134-F179 HydrophobicContact CG2-CZ 4.37Å; I134-I202 HydrophobicContact CD1-CD1 4.14Å |
| 135 | K | 85.8 | Confident | 81.1 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123 | 178.1 | -64.2 | 171.4 | -178 | 157.6 | 0 | 108.2 | V115 E133 R178 D180 | V115-K135 HydrophobicContact CG2-CG 4.42Å; E133-K135 HydrophobicContact CG-CG 4.15Å; E133-K135 WeakPolarHBondContact OE1-CE 3.4Å; E133-K135 IonicContact OE1-NZ 3.52Å; E133-K135 VanDerWaalsContact OE2-CE 3.31Å; E133-K135 WeakPolarHBondContact OE2-CE 3.43Å; E133-K135 IonicContact OE2-NZ 3.21Å; E133-K135 PolarHBondContact OE2-NZ 3.06Å; K135-R178 HydrophobicContact CB-CB 4.36Å; K135-R178 PolarHBondContact N-O 2.8Å; K135-R178 PolarHBondContact O-N 2.83Å; K135-D180 IonicContact NZ-OD2 2.85Å; K135-D180 PolarHBondContact NZ-OD2 3.3Å |
| 136 | I | 85 | Confident | 82.3 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.1 | 175.7 | -57 | 169 | 0 | 0 | 0 | 106.4 | Y113 L114 I116 I134 I139 W174 L177 I202 I206 | Y113-I136 CarbonylContact C-O 3.51Å; Y113-I136 WeakPolarHBondContact CA-O 3.44Å; L114-I136 HydrophobicContact CB-CB 4.4Å; L114-I136 PolarHBondContact N-O 3.46Å; L114-I136 PolarHBondContact O-N 2.93Å; I116-I136 HydrophobicContact CD1-CD1 3.83Å; I134-I136 HydrophobicContact CG2-CG1 4.36Å; I136-I139 HydrophobicContact CG2-CB 4.33Å; I136-W174 HydrophobicContact CD1-CE3 3.96Å; I136-W174 HydrophobicContact CD1-CZ3 3.87Å; I136-W174 HydrophobicContact CG2-CB 3.75Å; I136-W174 HydrophobicContact CG2-CD2 4.3Å; I136-W174 HydrophobicContact CG2-CE3 4.11Å; I136-W174 HydrophobicContact CG2-CG 4.22Å; I136-L177 HydrophobicContact CG1-CD1 4.47Å; I136-L177 HydrophobicContact CG1-CG 4.3Å; I136-I202 HydrophobicContact CD1-CG2 4.34Å; I136-I206 HydrophobicContact CD1-CD1 3.76Å |
| 137 | K | 86.2 | Confident | 83.1 | Confident | 110 Ų | 110 | 46.9 Ų | 46.9 | 48% | 0.478 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 143.8 | 172.8 | -67.5 | -169.8 | 173.6 | -166.9 | 0 | 108.6 | D175 N176 | K137-D175 CarbonylContact C-O 3.55Å; K137-D175 PolarHBondContact N-O 2.9Å; K137-D175 CarbonylContact O-C 3.46Å; K137-D175 WeakPolarHBondContact O-CA 3.32Å; K137-D175 PolarHBondContact O-N 2.76Å; K137-N176 HydrophobicContact CB-CB 4.49Å |
| 138 | S | 86 | Confident | 83.7 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 46.2 | 82.3 | 169.4 | 180 | 0 | 0 | 0 | 0 | 113 | F111 D112 W174 D175 | F111-S138 CarbonylContact O-C 3.57Å; F111-S138 VanDerWaalsContact O-CA 3.26Å; F111-S138 WeakPolarHBondContact O-CA 3.32Å; D112-S138 PolarHBondContact O-N 3.49Å; S138-W174 VanDerWaalsContact O-CA 3.27Å; S138-W174 WeakPolarHBondContact O-CA 3.45Å; S138-D175 PolarHBondContact O-N 2.72Å |
| 139 | I | 87.7 | Confident | 83.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.1 | 175.6 | -178 | 173.9 | 0 | 0 | 0 | 109.6 | L110 F111 L114 I136 I141 V171 H173 W174 I206 | L110-I139 WeakPolarHBondContact CA-O 3.27Å; F111-I139 HydrophobicContact CB-CG2 3.55Å; F111-I139 HydrophobicContact CD2-CG2 3.79Å; F111-I139 HydrophobicContact CG-CG2 3.99Å; F111-I139 PolarHBondContact N-O 2.85Å; F111-I139 PolarHBondContact O-N 3.01Å; L114-I139 HydrophobicContact CD1-CD1 3.78Å; L114-I139 HydrophobicContact CD1-CG2 3.62Å; L114-I139 HydrophobicContact CG-CG2 3.75Å; I136-I139 HydrophobicContact CG2-CB 4.33Å; I139-I141 HydrophobicContact CD1-CD1 4Å; I139-I141 HydrophobicContact CD1-CG1 4.16Å; I139-I141 HydrophobicContact CG1-CD1 4.28Å; I139-I141 HydrophobicContact CG1-CG1 3.93Å; I139-V171 HydrophobicContact CD1-CG1 4.07Å; I139-V171 HydrophobicContact CD1-CG2 3.95Å; I139-V171 HydrophobicContact CG1-CG1 3.95Å; I139-V171 HydrophobicContact CG1-CG2 4.47Å; I139-H173 WeakPolarHBondContact CA-O 3.14Å; I139-W174 HydrophobicContact CB-CB 4.19Å; I139-W174 HydrophobicContact CD1-CE3 3.84Å; I139-W174 HydrophobicContact CD1-CZ3 4.45Å; I139-W174 HydrophobicContact CG1-CB 4.22Å; I139-W174 HydrophobicContact CG1-CE3 4.36Å; I139-I206 HydrophobicContact CD1-CD1 4.29Å; I139-I206 HydrophobicContact CD1-CG2 4.4Å |
| 140 | K | 89.7 | Confident | 82 | Confident | 81 Ų | 81 | 41.2 Ų | 41.2 | 35% | 0.352 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.3 | 173.4 | -66.2 | -176.4 | 179.7 | -178.1 | 0 | 109.8 | L109 L110 V171 I172 H173 | L109-K140 CarbonylContact O-C 3.55Å; L109-K140 VanDerWaalsContact O-CA 3.24Å; L109-K140 WeakPolarHBondContact O-CA 3.42Å; L110-K140 HydrophobicContact CD1-CG 3.69Å; K140-V171 CarbonylContact O-C 3.6Å; K140-V171 WeakPolarHBondContact O-CA 3.32Å; K140-I172 HydrophobicContact CB-CB 4.5Å; K140-I172 PolarHBondContact O-N 2.9Å; K140-H173 HydrophobicContact CB-CB 4.19Å; K140-H173 HydrophobicContact CD-CB 4.43Å; K140-H173 PolarHBondContact N-O 3.38Å; K140-H173 PolarHBondContact O-N 3.07Å |
| 141 | I | 88.8 | Confident | 80.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.7 | -177.9 | -51.4 | -170.2 | 0 | 0 | 0 | 108.7 | L109 F111 I139 V169 T170 V171 I206 I210 | L109-I141 HydrophobicContact CB-CB 4.41Å; L109-I141 PolarHBondContact N-O 3.23Å; L109-I141 PolarHBondContact O-N 3.26Å; F111-I141 HydrophobicContact CD2-CD1 4.15Å; F111-I141 HydrophobicContact CD2-CG1 4.27Å; F111-I141 HydrophobicContact CE2-CB 4.26Å; F111-I141 HydrophobicContact CE2-CD1 3.57Å; F111-I141 HydrophobicContact CE2-CG1 3.85Å; F111-I141 HydrophobicContact CZ-CD1 4.28Å; I139-I141 HydrophobicContact CD1-CD1 4Å; I139-I141 HydrophobicContact CD1-CG1 4.16Å; I139-I141 HydrophobicContact CG1-CD1 4.28Å; I139-I141 HydrophobicContact CG1-CG1 3.93Å; I141-V169 HydrophobicContact CG2-CG1 3.67Å; I141-T170 CarbonylContact C-O 3.6Å; I141-T170 WeakPolarHBondContact CA-O 3.5Å; I141-V171 HydrophobicContact CD1-CG2 4.29Å; I141-V171 HydrophobicContact CG1-CG2 4.15Å; I141-I206 HydrophobicContact CD1-CG2 4.5Å; I141-I210 HydrophobicContact CD1-CD1 3.23Å |
| 142 | L | 90 | Very high | 78.3 | Confident | 42 Ų | 42 | 47 Ų | 47 | 22% | 0.22 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.9 | 166 | -167.4 | 129.5 | 0 | 0 | 0 | 108.4 | I106 F107 D144 V169 T170 I172 | I106-L142 HydrophobicContact CG2-CD1 3.74Å; I106-L142 HydrophobicContact CG2-CD2 3.98Å; I106-L142 HydrophobicContact CG2-CG 3.72Å; F107-L142 WeakPolarHBondContact O-CA 3.3Å; L142-D144 HydrophobicContact CD2-CB 4.06Å; L142-V169 CarbonylContact O-C 3.56Å; L142-V169 WeakPolarHBondContact O-CA 3.18Å; L142-T170 PolarHBondContact N-O 2.73Å; L142-T170 PolarHBondContact O-N 2.8Å; L142-I172 HydrophobicContact CB-CD1 3.62Å; L142-I172 HydrophobicContact CB-CG1 3.83Å; L142-I172 HydrophobicContact CD1-CD1 3.97Å; L142-I172 HydrophobicContact CG-CD1 4.42Å |
| 143 | L | 89.1 | Confident | 76.1 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124.6 | 170.5 | 171.7 | 64.1 | 0 | 0 | 0 | 108.1 | I50 I106 F107 L109 L145 V166 V169 I214 | I50-L143 HydrophobicContact CD1-CD2 4.24Å; I106-L143 CarbonylContact C-O 3.6Å; I106-L143 WeakPolarHBondContact CA-O 3.24Å; F107-L143 HydrophobicContact CB-CB 4.26Å; F107-L143 HydrophobicContact CD2-CD2 4.34Å; F107-L143 HydrophobicContact CD2-CG 4.32Å; F107-L143 PolarHBondContact N-O 3.21Å; F107-L143 PolarHBondContact O-N 2.94Å; L109-L143 HydrophobicContact CD1-CB 4.11Å; L109-L143 HydrophobicContact CD1-CD2 4.22Å; L109-L143 HydrophobicContact CG-CB 4.43Å; L143-L145 HydrophobicContact CD1-CD2 3.84Å; L143-L145 HydrophobicContact CD1-CG 4.42Å; L143-L145 HydrophobicContact CD2-CD1 4.5Å; L143-L145 HydrophobicContact CD2-CD2 4.45Å; L143-L145 HydrophobicContact CD2-CG 4.44Å; L143-L145 HydrophobicContact CG-CD2 4.14Å; L143-L145 HydrophobicContact CG-CG 4.18Å; L143-V166 HydrophobicContact CD1-CG1 4.1Å; L143-V169 HydrophobicContact CD1-CG2 3.76Å; L143-I214 HydrophobicContact CD1-CD1 3.43Å; L143-I214 VanDerWaalsContact CD1-CD1 3.43Å; L143-I214 HydrophobicContact CD2-CD1 3.78Å; L143-I214 HydrophobicContact CG-CD1 4.23Å |
| 144 | D | 88.5 | Confident | 74 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.8 | -176.9 | 173.7 | 16.5 | 0 | 0 | 0 | 109.2 | R104 L142 N167 K168 | R104-D144 WeakPolarHBondContact CD-OD1 3.43Å; R104-D144 WeakPolarHBondContact CG-OD1 3.22Å; R104-D144 IonicContact CZ-OD1 3.8Å; R104-D144 IonicContact CZ-OD2 3.1Å; R104-D144 IonicContact NE-OD1 2.82Å; R104-D144 PolarHBondContact NE-OD1 2.81Å; R104-D144 IonicContact NE-OD2 2.85Å; R104-D144 PolarHBondContact NE-OD2 2.92Å; R104-D144 IonicContact NH2-OD1 3.95Å; R104-D144 IonicContact NH2-OD2 2.63Å; R104-D144 PolarHBondContact NH2-OD2 3.28Å; L142-D144 HydrophobicContact CD2-CB 4.06Å; D144-N167 PolarHBondContact O-N 2.69Å; D144-N167 PolarHBondContact OD2-ND2 3.02Å; D144-K168 HydrophobicContact CB-CB 3.94Å; D144-K168 WeakPolarHBondContact CB-O 3.38Å; D144-K168 PolarHBondContact N-O 3.35Å; D144-K168 PolarHBondContact O-N 2.92Å; D144-K168 VanDerWaalsContact O-N 3.16Å |
| 145 | L | 85.1 | Confident | 71.8 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.1 | -179.8 | -57.9 | -177.3 | 0 | 0 | 0 | 109.5 | R104 L105 F107 L143 I164 H165 V166 I214 | R104-L145 CarbonylContact C-O 3.59Å; R104-L145 WeakPolarHBondContact CA-O 3.38Å; L105-L145 HydrophobicContact CB-CB 4.37Å; L105-L145 PolarHBondContact N-O 2.75Å; L105-L145 PolarHBondContact O-N 3.11Å; F107-L145 HydrophobicContact CD2-CD1 4.43Å; F107-L145 HydrophobicContact CD2-CG 4.47Å; F107-L145 HydrophobicContact CE2-CB 4.45Å; F107-L145 HydrophobicContact CE2-CD1 3.71Å; F107-L145 HydrophobicContact CE2-CG 4.04Å; F107-L145 HydrophobicContact CZ-CD1 4.39Å; L143-L145 HydrophobicContact CD1-CD2 3.84Å; L143-L145 HydrophobicContact CD1-CG 4.42Å; L143-L145 HydrophobicContact CD2-CD1 4.5Å; L143-L145 HydrophobicContact CD2-CD2 4.45Å; L143-L145 HydrophobicContact CD2-CG 4.44Å; L143-L145 HydrophobicContact CG-CD2 4.14Å; L143-L145 HydrophobicContact CG-CG 4.18Å; L145-I164 HydrophobicContact CB-CG2 4.43Å; L145-H165 CarbonylContact C-O 3.54Å; L145-H165 WeakPolarHBondContact CA-O 3.31Å; L145-V166 HydrophobicContact CD2-CB 4.32Å; L145-V166 HydrophobicContact CD2-CG1 4.36Å; L145-V166 HydrophobicContact CD2-CG2 3.93Å; L145-I214 HydrophobicContact CD2-CG2 4.4Å |
| 146 | L | 83.6 | Confident | 69.6 | Low | 33 Ų | 33 | 66.7 Ų | 66.7 | 17% | 0.173 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.3 | 173.1 | -178.1 | 69.7 | 0 | 0 | 0 | 108.7 | L98 N102 I148 I164 H165 N167 | L98-L146 HydrophobicContact CD1-CD1 3.6Å; N102-L146 HydrophobicContact CB-CD1 3.89Å; L146-I148 HydrophobicContact CD2-CG1 4.24Å; L146-I148 HydrophobicContact CG-CG1 4.31Å; L146-I164 WeakPolarHBondContact O-CA 3.29Å; L146-H165 PolarHBondContact N-O 2.95Å; L146-H165 PolarHBondContact O-N 2.94Å; L146-N167 HydrophobicContact CB-CB 4.17Å |
| 147 | L | 76.8 | Confident | 67.6 | Low | 9 Ų | 9 | 73.3 Ų | 73.3 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 113.5 | 166.8 | -176.4 | 80.6 | 0 | 0 | 0 | 108.7 | I14 V18 N102 I103 P163 I164 | I14-L147 HydrophobicContact CD1-CD1 4.1Å; I14-L147 HydrophobicContact CG1-CD1 3.95Å; I14-L147 HydrophobicContact CG1-CD2 4.28Å; V18-L147 HydrophobicContact CB-CD2 4.37Å; V18-L147 HydrophobicContact CG1-CD2 4.44Å; V18-L147 HydrophobicContact CG2-CD2 3.22Å; N102-L147 WeakPolarHBondContact CA-O 3.11Å; N102-L147 WeakPolarHBondContact CB-O 3.49Å; I103-L147 HydrophobicContact CB-CB 4.27Å; I103-L147 HydrophobicContact CB-CD2 4.43Å; I103-L147 HydrophobicContact CD1-CD2 4.48Å; I103-L147 PolarHBondContact N-O 2.98Å; I103-L147 PolarHBondContact O-N 3.36Å; L147-P163 CarbonylContact C-O 3.58Å; L147-P163 VanDerWaalsContact CA-O 3.25Å; L147-P163 WeakPolarHBondContact CA-O 3.41Å; L147-P163 HydrophobicContact CD1-CB 4.23Å; L147-P163 WeakPolarHBondContact CD1-O 3.45Å; L147-I164 HydrophobicContact CD1-CD1 4.14Å; L147-I164 HydrophobicContact CD1-CG1 3.36Å |
| 148 | I | 73.8 | Confident | 65.5 | Low | 44 Ų | 44 | 73.7 Ų | 73.7 | 23% | 0.226 | 39% | 0.393 | C | S | . | . | trans | -83.1 | 126.3 | 172.6 | -60.3 | -178.4 | 0 | 0 | 0 | 107.7 | N102 L146 L161 P163 H165 | N102-I148 WeakPolarHBondContact OD1-CA 3.06Å; L146-I148 HydrophobicContact CD2-CG1 4.24Å; L146-I148 HydrophobicContact CG-CG1 4.31Å; I148-L161 HydrophobicContact CD1-CD2 4.27Å; I148-P163 PolarHBondContact N-O 2.98Å; I148-H165 WeakPolarHBondContact CD1-CD2 3.48Å | ||
| 149 | Q | 63.1 | Low | 63.3 | Low | 59 Ų | 59 | 79.7 Ų | 79.7 | 28% | 0.276 | 42% | 0.423 | S | S | . | . | trans | -69.6 | 137.4 | 170.4 | -81.7 | -159.5 | -47.4 | 0 | 0 | 110.3 | G101 N102 M151 | G101-Q149 WeakPolarHBondContact O-CG 3.37Å; G101-Q149 PolarHBondContact O-OE1 2.91Å; N102-Q149 PolarHBondContact OD1-N 2.84Å; Q149-M151 VanDerWaalsContact C-N 3.3Å; Q149-M151 PolarHBondContact O-N 3.46Å | ||
| 150 | P | 55.2 | Low | 61.6 | Low | 117 Ų | 117 | 83 Ų | 83 | 76% | 0.76 | 46% | 0.457 | S | S | * | . | trans | -60.5 | 104.8 | 160.7 | 26.8 | -29.2 | 0 | 0 | 0 | 105.8 | D152 | P150-D152 PolarHBondContact O-N 3.41Š| ||
| 151 | M | 44.7 | Very low | 59.9 | Low | 147 Ų | 147 | 84.6 Ų | 84.6 | 72% | 0.724 | 47% | 0.469 | S | S | * | . | trans | -56.4 | 127 | 163.3 | -96.2 | -163.2 | 164.7 | 0 | 0 | 105.6 | Q149 N153 | Q149-M151 VanDerWaalsContact C-N 3.3Å; Q149-M151 PolarHBondContact O-N 3.46Å; M151-N153 PolarHBondContact O-N 3.25Å | ||
| 152 | D | 38.2 | Very low | 58.5 | Low | 167 Ų | 167 | 85.4 Ų | 85.4 | 89% | 0.893 | 47% | 0.473 | S | S | * | . | trans | -43.7 | 92.7 | 161 | -90.7 | -34.9 | 0 | 0 | 0 | 108.1 | P150 | P150-D152 PolarHBondContact O-N 3.41Š| ||
| 153 | N | 34.7 | Very low | 57.5 | Low | 104 Ų | 104 | 85.1 Ų | 85.1 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | trans | -136.1 | 101.2 | 174.2 | -99 | -22.2 | 0 | 0 | 0 | 105.9 | M151 N155 | M151-N153 PolarHBondContact O-N 3.25Å; N153-N155 PolarHBondContact O-N 3.41Å | ||
| 154 | N | 38.6 | Very low | 56.8 | Low | 172 Ų | 172 | 85.6 Ų | 85.6 | 92% | 0.92 | 48% | 0.476 | S | S | * | . | trans | -53 | 31.4 | 165.9 | -131.3 | -3.5 | 0 | 0 | 0 | 113.7 | ||||
| 155 | N | 37.1 | Very low | 56.5 | Low | 114 Ų | 114 | 88.3 Ų | 88.3 | 61% | 0.61 | 49% | 0.489 | S | S | * | . | trans | -120.5 | 105.1 | 176.2 | -88.5 | -16.6 | 0 | 0 | 0 | 107.6 | N153 N157 | N153-N155 PolarHBondContact O-N 3.41Å; N155-N157 PolarHBondContact O-N 2.85Å | ||
| 156 | N | 39 | Very low | 56.5 | Low | 157 Ų | 157 | 88.1 Ų | 88.1 | 84% | 0.84 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 30.8 | 173.5 | -75.8 | -23.7 | 0 | 0 | 0 | 114.7 | ||
| 157 | N | 42.8 | Very low | 56.7 | Low | 139 Ų | 139 | 90.6 Ų | 90.6 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | 1.4 | -175.3 | -74.7 | -8.6 | 0 | 0 | 0 | 114.3 | N155 N159 | N155-N157 PolarHBondContact O-N 2.85Å; N157-N159 PolarHBondContact O-N 3.13Å; N157-N159 VanDerWaalsContact O-N 3.15Å |
| 158 | N | 43.1 | Very low | 57.3 | Low | 118 Ų | 118 | 95.4 Ų | 95.4 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | trans | -88.7 | 53.8 | 171.6 | -77.9 | -3.1 | 0 | 0 | 0 | 111.6 | G160 | N158-G160 PolarHBondContact O-N 3.34Š| ||
| 159 | N | 40.2 | Very low | 58.1 | Low | 159 Ų | 159 | 93.9 Ų | 93.9 | 85% | 0.85 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 96.3 | 166.6 | -76.2 | -10 | 0 | 0 | 0 | 108.5 | N157 | N157-N159 PolarHBondContact O-N 3.13Å; N157-N159 VanDerWaalsContact O-N 3.15Å |
| 160 | G | 50.5 | Low | 59.4 | Low | 70 Ų | 70 | 92.5 Ų | 92.5 | 72% | 0.722 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.6 | 9.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | N158 L162 | N158-G160 PolarHBondContact O-N 3.34Å; G160-L162 PolarHBondContact O-N 2.87Å |
| 161 | L | 54 | Low | 61 | Low | 115 Ų | 115 | 87 Ų | 87 | 60% | 0.602 | 47% | 0.474 | S | S | * | . | trans | -79.1 | 107.4 | 168.3 | -104.3 | 110.5 | 0 | 0 | 0 | 110 | I148 | I148-L161 HydrophobicContact CD1-CD2 4.27Š| ||
| 162 | L | 59.9 | Low | 63 | Low | 18 Ų | 18 | 84.2 Ų | 84.2 | 9% | 0.094 | 46% | 0.461 | C | S | . | . | trans | -52.5 | 124.5 | 168.8 | -64.8 | 155.5 | 0 | 0 | 0 | 108.5 | G160 I164 H165 K219 F222 | G160-L162 PolarHBondContact O-N 2.87Å; L162-I164 PolarHBondContact O-N 2.79Å; L162-I164 VanDerWaalsContact O-N 3.16Å; L162-H165 PolarHBondContact O-CD2 3.44Å; L162-H165 PolarHBondContact O-NE2 3.41Å; L162-K219 HydrophobicContact CD1-CG 3.69Å; L162-F222 HydrophobicContact CD2-CB 3.3Å; L162-F222 HydrophobicContact CD2-CD2 3.19Å; L162-F222 HydrophobicContact CD2-CE2 4.11Å; L162-F222 HydrophobicContact CD2-CG 3.49Å; L162-F222 VanDerWaalsContact CD2-CG 3.49Å; L162-F222 HydrophobicContact CG-CD2 4.47Å | ||
| 163 | P | 69.7 | Low | 65.2 | Low | 35 Ų | 35 | 79.9 Ų | 79.9 | 23% | 0.227 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -66.3 | -18.8 | 178.4 | 26.8 | -33.4 | 0 | 0 | 0 | 111.2 | L147 I148 F222 | L147-P163 CarbonylContact C-O 3.58Å; L147-P163 VanDerWaalsContact CA-O 3.25Å; L147-P163 WeakPolarHBondContact CA-O 3.41Å; L147-P163 HydrophobicContact CD1-CB 4.23Å; L147-P163 WeakPolarHBondContact CD1-O 3.45Å; I148-P163 PolarHBondContact N-O 2.98Å; P163-F222 VanDerWaalsContact CD-CE1 3.44Å; P163-F222 HydrophobicContact CG-CD1 4.28Å; P163-F222 HydrophobicContact CG-CE1 3.37Å; P163-F222 HydrophobicContact CG-CE2 4.41Å; P163-F222 HydrophobicContact CG-CZ 3.44Å; P163-F222 VanDerWaalsContact CG-CZ 3.44Å |
| 164 | I | 74.6 | Confident | 67.7 | Low | 11 Ų | 11 | 76.3 Ų | 76.3 | 6% | 0.056 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.5 | -178.2 | -58.2 | 168.9 | 0 | 0 | 0 | 110.3 | I10 L145 L146 L147 L162 L218 F222 | I10-I164 HydrophobicContact CG1-CD1 4.18Å; I10-I164 HydrophobicContact CG2-CD1 3.94Å; L145-I164 HydrophobicContact CB-CG2 4.43Å; L146-I164 WeakPolarHBondContact O-CA 3.29Å; L147-I164 HydrophobicContact CD1-CD1 4.14Å; L147-I164 HydrophobicContact CD1-CG1 3.36Å; L162-I164 PolarHBondContact O-N 2.79Å; L162-I164 VanDerWaalsContact O-N 3.16Å; I164-L218 HydrophobicContact CB-CD2 4.29Å; I164-L218 HydrophobicContact CG2-CD1 3.96Å; I164-L218 HydrophobicContact CG2-CD2 4.03Å; I164-F222 HydrophobicContact CD1-CZ 4.28Å; I164-F222 HydrophobicContact CG1-CZ 4.48Å |
| 165 | H | 81.1 | Confident | 69.6 | Low | 58 Ų | 58 | 71 Ų | 71 | 27% | 0.269 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 149 | 173.3 | -65.3 | -79.3 | 0 | 0 | 0 | 111.5 | L145 L146 I148 L162 N167 | L145-H165 CarbonylContact C-O 3.54Å; L145-H165 WeakPolarHBondContact CA-O 3.31Å; L146-H165 PolarHBondContact N-O 2.95Å; L146-H165 PolarHBondContact O-N 2.94Å; I148-H165 WeakPolarHBondContact CD1-CD2 3.48Å; L162-H165 PolarHBondContact O-CD2 3.44Å; L162-H165 PolarHBondContact O-NE2 3.41Å; H165-N167 PolarHBondContact O-N 3.06Å |
| 166 | V | 85.3 | Confident | 71.2 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 3% | 0.03 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 111.1 | 167.3 | -170.4 | 0 | 0 | 0 | 0 | 107.9 | L143 L145 V169 Y211 I214 E215 L218 | L143-V166 HydrophobicContact CD1-CG1 4.1Å; L145-V166 HydrophobicContact CD2-CB 4.32Å; L145-V166 HydrophobicContact CD2-CG1 4.36Å; L145-V166 HydrophobicContact CD2-CG2 3.93Å; V166-V169 HydrophobicContact CG1-CG2 3.75Å; V166-Y211 HydrophobicContact CB-CD2 4.03Å; V166-Y211 HydrophobicContact CB-CE2 3.72Å; V166-Y211 HydrophobicContact CG1-CD2 3.47Å; V166-Y211 VanDerWaalsContact CG1-CD2 3.47Å; V166-Y211 HydrophobicContact CG1-CE2 3.59Å; V166-Y211 HydrophobicContact CG1-CG 4.34Å; V166-Y211 VanDerWaalsContact O-CE2 3.25Å; V166-Y211 WeakPolarHBondContact O-CE2 3.01Å; V166-Y211 PolarHBondContact O-OH 2.84Å; V166-I214 HydrophobicContact CG2-CB 3.91Å; V166-I214 HydrophobicContact CG2-CG2 3.45Å; V166-I214 VanDerWaalsContact CG2-CG2 3.45Å; V166-E215 HydrophobicContact CG2-CB 4.44Å; V166-L218 HydrophobicContact CG2-CD1 3.83Å |
| 167 | N | 87.6 | Confident | 73 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -46.1 | 177 | -174.7 | 47.9 | 0 | 0 | 0 | 110.7 | D144 L146 H165 | D144-N167 PolarHBondContact O-N 2.69Å; D144-N167 PolarHBondContact OD2-ND2 3.02Å; L146-N167 HydrophobicContact CB-CB 4.17Å; H165-N167 PolarHBondContact O-N 3.06Å |
| 168 | K | 90.2 | Very high | 74.6 | Confident | 111 Ų | 111 | 65 Ų | 65 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 142.9 | -178.2 | -158.3 | -179 | -173.3 | -172.1 | 0 | 112.1 | D144 T170 | D144-K168 HydrophobicContact CB-CB 3.94Å; D144-K168 WeakPolarHBondContact CB-O 3.38Å; D144-K168 PolarHBondContact N-O 3.35Å; D144-K168 PolarHBondContact O-N 2.92Å; D144-K168 VanDerWaalsContact O-N 3.16Å; K168-T170 WeakPolarHBondContact CE-OG1 3.06Å |
| 169 | V | 89.8 | Confident | 76.2 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.3 | 162.8 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | I141 L142 L143 V166 I210 Y211 | I141-V169 HydrophobicContact CG2-CG1 3.67Å; L142-V169 CarbonylContact O-C 3.56Å; L142-V169 WeakPolarHBondContact O-CA 3.18Å; L143-V169 HydrophobicContact CD1-CG2 3.76Å; V166-V169 HydrophobicContact CG1-CG2 3.75Å; V169-I210 HydrophobicContact CG1-CB 4.09Å; V169-I210 HydrophobicContact CG1-CG2 3.83Å; V169-I210 HydrophobicContact CG2-CG2 4.33Å; V169-Y211 HydrophobicContact CG2-CD2 4.14Å |
| 170 | T | 91.1 | Very high | 77.7 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 126.1 | -179.6 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | I141 L142 K168 I172 E207 | I141-T170 CarbonylContact C-O 3.6Å; I141-T170 WeakPolarHBondContact CA-O 3.5Å; L142-T170 PolarHBondContact N-O 2.73Å; L142-T170 PolarHBondContact O-N 2.8Å; K168-T170 WeakPolarHBondContact CE-OG1 3.06Å; T170-I172 PolarHBondContact O-N 3.45Å; T170-E207 WeakPolarHBondContact CA-OE1 3.44Å |
| 171 | V | 88 | Confident | 78.5 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 113.6 | 169.3 | 171.1 | 0 | 0 | 0 | 0 | 106.8 | I139 K140 I141 W174 K203 I206 E207 | I139-V171 HydrophobicContact CD1-CG1 4.07Å; I139-V171 HydrophobicContact CD1-CG2 3.95Å; I139-V171 HydrophobicContact CG1-CG1 3.95Å; I139-V171 HydrophobicContact CG1-CG2 4.47Å; K140-V171 CarbonylContact O-C 3.6Å; K140-V171 WeakPolarHBondContact O-CA 3.32Å; I141-V171 HydrophobicContact CD1-CG2 4.29Å; I141-V171 HydrophobicContact CG1-CG2 4.15Å; V171-W174 HydrophobicContact CG1-CD2 4.24Å; V171-W174 HydrophobicContact CG1-CE3 3.93Å; V171-W174 HydrophobicContact CG1-CZ3 4.49Å; V171-K203 HydrophobicContact CB-CD 4.34Å; V171-K203 HydrophobicContact CB-CG 3.76Å; V171-K203 HydrophobicContact CG1-CG 4.13Å; V171-K203 HydrophobicContact CG2-CG 4.32Å; V171-K203 WeakPolarHBondContact O-CE 3.22Å; V171-K203 PolarHBondContact O-NZ 3.47Å; V171-I206 HydrophobicContact CG2-CG2 4.33Å; V171-E207 HydrophobicContact CB-CG 4.24Å; V171-E207 HydrophobicContact CG2-CG 3.78Å; V171-E207 PolarHBondContact N-OE1 3.18Å |
| 172 | I | 87.4 | Confident | 79.2 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 45% | 0.451 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -42.9 | -179.8 | -59.6 | 162.3 | 0 | 0 | 0 | 109.4 | T108 K140 L142 T170 | T108-I172 HydrophobicContact CG2-CD1 4.16Å; K140-I172 HydrophobicContact CB-CB 4.5Å; K140-I172 PolarHBondContact O-N 2.9Å; L142-I172 HydrophobicContact CB-CD1 3.62Å; L142-I172 HydrophobicContact CB-CG1 3.83Å; L142-I172 HydrophobicContact CD1-CD1 3.97Å; L142-I172 HydrophobicContact CG-CD1 4.42Å; T170-I172 PolarHBondContact O-N 3.45Å |
| 173 | H | 84.8 | Confident | 79.3 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 36% | 0.356 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 148.3 | -170.8 | -179 | 68.4 | 0 | 0 | 0 | 110.4 | I139 K140 D175 | I139-H173 WeakPolarHBondContact CA-O 3.14Å; K140-H173 HydrophobicContact CB-CB 4.19Å; K140-H173 HydrophobicContact CD-CB 4.43Å; K140-H173 PolarHBondContact N-O 3.38Å; K140-H173 PolarHBondContact O-N 3.07Å; H173-D175 IonicContact CD2-OD2 3.21Å; H173-D175 IonicContact CE1-OD1 2.81Å; H173-D175 PolarHBondContact CE1-OD1 2.87Å; H173-D175 IonicContact NE2-OD1 2.75Å; H173-D175 PolarHBondContact NE2-OD1 2.75Å; H173-D175 IonicContact NE2-OD2 3.79Å; H173-D175 PolarHBondContact NE2-OD2 2.78Å |
| 174 | W | 86.3 | Confident | 79 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 157 | 161.1 | 55.2 | 24.9 | 0 | 0 | 0 | 111 | I136 S138 I139 V171 L177 D199 I202 K203 I206 | I136-W174 HydrophobicContact CD1-CE3 3.96Å; I136-W174 HydrophobicContact CD1-CZ3 3.87Å; I136-W174 HydrophobicContact CG2-CB 3.75Å; I136-W174 HydrophobicContact CG2-CD2 4.3Å; I136-W174 HydrophobicContact CG2-CE3 4.11Å; I136-W174 HydrophobicContact CG2-CG 4.22Å; S138-W174 VanDerWaalsContact O-CA 3.27Å; S138-W174 WeakPolarHBondContact O-CA 3.45Å; I139-W174 HydrophobicContact CB-CB 4.19Å; I139-W174 HydrophobicContact CD1-CE3 3.84Å; I139-W174 HydrophobicContact CD1-CZ3 4.45Å; I139-W174 HydrophobicContact CG1-CB 4.22Å; I139-W174 HydrophobicContact CG1-CE3 4.36Å; V171-W174 HydrophobicContact CG1-CD2 4.24Å; V171-W174 HydrophobicContact CG1-CE3 3.93Å; V171-W174 HydrophobicContact CG1-CZ3 4.49Å; W174-L177 HydrophobicContact CH2-CD1 4.18Å; W174-L177 HydrophobicContact CZ2-CD1 3.9Å; W174-D199 VanDerWaalsContact CZ2-O 3.3Å; W174-D199 WeakPolarHBondContact CZ2-O 3.13Å; W174-D199 WeakPolarHBondContact CZ2-OD1 3.39Å; W174-D199 PolarHBondContact NE1-OD1 3.15Å; W174-I202 HydrophobicContact CH2-CB 3.82Å; W174-I202 HydrophobicContact CH2-CG2 3.62Å; W174-I202 HydrophobicContact CZ3-CG2 4Å; W174-K203 VanDerWaalsContact CH2-CA 3.42Å; W174-K203 HydrophobicContact CH2-CB 3.59Å; W174-K203 HydrophobicContact CH2-CG 4.36Å; W174-K203 VanDerWaalsContact CH2-N 3.28Å; W174-K203 HydrophobicContact CZ2-CB 3.9Å; W174-K203 HydrophobicContact CZ3-CB 4.23Å; W174-I206 HydrophobicContact CE3-CD1 4.47Å; W174-I206 HydrophobicContact CZ3-CD1 3.72Å |
| 175 | D | 79.6 | Confident | 78.5 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 33% | 0.326 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.5 | 177.2 | -67.7 | -51 | 0 | 0 | 0 | 111.8 | K137 S138 H173 L177 | K137-D175 CarbonylContact C-O 3.55Å; K137-D175 PolarHBondContact N-O 2.9Å; K137-D175 CarbonylContact O-C 3.46Å; K137-D175 WeakPolarHBondContact O-CA 3.32Å; K137-D175 PolarHBondContact O-N 2.76Å; S138-D175 PolarHBondContact O-N 2.72Å; H173-D175 IonicContact CD2-OD2 3.21Å; H173-D175 IonicContact CE1-OD1 2.81Å; H173-D175 PolarHBondContact CE1-OD1 2.87Å; H173-D175 IonicContact NE2-OD1 2.75Å; H173-D175 PolarHBondContact NE2-OD1 2.75Å; H173-D175 IonicContact NE2-OD2 3.79Å; H173-D175 PolarHBondContact NE2-OD2 2.78Å; D175-L177 PolarHBondContact O-N 2.81Å |
| 176 | N | 70.9 | Confident | 77.8 | Confident | 103 Ų | 103 | 59.4 Ų | 59.4 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 63.9 | 163.1 | -68.9 | -54.5 | 0 | 0 | 0 | 114.7 | K137 R178 | K137-N176 HydrophobicContact CB-CB 4.49Å; N176-R178 PolarHBondContact O-N 3.43Å; N176-R178 VanDerWaalsContact O-N 3.14Å |
| 177 | L | 76.7 | Confident | 76.9 | Confident | 31 Ų | 31 | 64 Ų | 64 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 112.9 | 169.9 | -165.4 | 152.7 | 0 | 0 | 0 | 110.1 | I134 I136 W174 D175 F179 I202 | I134-L177 HydrophobicContact CG2-CD1 4.47Å; I134-L177 HydrophobicContact CG2-CD2 3.75Å; I134-L177 HydrophobicContact CG2-CG 3.94Å; I136-L177 HydrophobicContact CG1-CD1 4.47Å; I136-L177 HydrophobicContact CG1-CG 4.3Å; W174-L177 HydrophobicContact CH2-CD1 4.18Å; W174-L177 HydrophobicContact CZ2-CD1 3.9Å; D175-L177 PolarHBondContact O-N 2.81Å; L177-F179 HydrophobicContact CD2-CD2 3.36Å; L177-F179 HydrophobicContact CD2-CE2 3.27Å; L177-F179 HydrophobicContact CD2-CG 4.47Å; L177-F179 HydrophobicContact CD2-CZ 4.32Å; L177-I202 HydrophobicContact CD1-CD1 3.68Å; L177-I202 HydrophobicContact CD1-CG2 4.48Å; L177-I202 HydrophobicContact CD2-CD1 4.26Å |
| 178 | R | 76.9 | Confident | 75.8 | Confident | 149 Ų | 149 | 63 Ų | 63 | 56% | 0.562 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.6 | -179.8 | -69.1 | -176.4 | -179.4 | -165 | -1.2 | 110.5 | I134 K135 N176 | I134-R178 CarbonylContact C-O 3.44Å; I134-R178 WeakPolarHBondContact CA-O 3.26Å; K135-R178 HydrophobicContact CB-CB 4.36Å; K135-R178 PolarHBondContact N-O 2.8Å; K135-R178 PolarHBondContact O-N 2.83Å; N176-R178 PolarHBondContact O-N 3.43Å; N176-R178 VanDerWaalsContact O-N 3.14Å |
| 179 | F | 75.2 | Confident | 74.6 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 10% | 0.096 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 110.3 | 167.9 | -86.4 | -86.1 | 0 | 0 | 0 | 110.1 | V132 I134 L177 F189 I202 | V132-F179 HydrophobicContact CG1-CD1 3.96Å; V132-F179 HydrophobicContact CG1-CE1 4.29Å; I134-F179 HydrophobicContact CD1-CD1 4.15Å; I134-F179 HydrophobicContact CD1-CE1 3.3Å; I134-F179 HydrophobicContact CD1-CZ 3.53Å; I134-F179 HydrophobicContact CG1-CD1 3.73Å; I134-F179 HydrophobicContact CG1-CE1 3.41Å; I134-F179 VanDerWaalsContact CG1-CE1 3.41Å; I134-F179 HydrophobicContact CG1-CZ 3.97Å; I134-F179 HydrophobicContact CG2-CE1 4.49Å; I134-F179 HydrophobicContact CG2-CE2 4.41Å; I134-F179 HydrophobicContact CG2-CZ 4.37Å; L177-F179 HydrophobicContact CD2-CD2 3.36Å; L177-F179 HydrophobicContact CD2-CE2 3.27Å; L177-F179 HydrophobicContact CD2-CG 4.47Å; L177-F179 HydrophobicContact CD2-CZ 4.32Å; F179-F189 HydrophobicContact CD1-CD1 4.2Å; F179-F189 AromaticContact CD1-CE1 3.56Å; F179-F189 HydrophobicContact CD1-CE1 3.56Å; F179-F189 HydrophobicContact CD1-CZ 4.14Å; F179-F189 AromaticContact CD2-CE1 3.92Å; F179-F189 HydrophobicContact CD2-CE1 3.92Å; F179-F189 HydrophobicContact CE1-CD1 4.34Å; F179-F189 AromaticContact CE1-CE1 3.31Å; F179-F189 HydrophobicContact CE1-CE1 3.31Å; F179-F189 AromaticContact CE1-CZ 3.49Å; F179-F189 HydrophobicContact CE1-CZ 3.49Å; F179-F189 VanDerWaalsContact CE1-CZ 3.49Å; F179-F189 AromaticContact CE2-CE1 3.7Å; F179-F189 HydrophobicContact CE2-CE1 3.7Å; F179-F189 HydrophobicContact CE2-CZ 4.32Å; F179-F189 HydrophobicContact CG-CD1 4.32Å; F179-F189 AromaticContact CG-CE1 3.84Å; F179-F189 HydrophobicContact CG-CE1 3.84Å; F179-F189 AromaticContact CZ-CE1 3.38Å; F179-F189 HydrophobicContact CZ-CE1 3.38Å; F179-F189 AromaticContact CZ-CZ 3.6Å; F179-F189 HydrophobicContact CZ-CZ 3.6Å; F179-I202 HydrophobicContact CE2-CD1 3.84Å; F179-I202 HydrophobicContact CZ-CD1 3.62Å |
| 180 | D | 73.3 | Confident | 73.6 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 41% | 0.406 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 104.6 | 172.6 | -156.3 | -10.4 | 0 | 0 | 0 | 108.4 | E133 K135 | E133-D180 HydrophobicContact CB-CB 4.31Å; E133-D180 PolarHBondContact N-O 2.8Å; E133-D180 WeakPolarHBondContact O-CA 3.27Å; E133-D180 PolarHBondContact O-N 3.19Å; K135-D180 IonicContact NZ-OD2 2.85Å; K135-D180 PolarHBondContact NZ-OD2 3.3Å |
| 181 | S | 67.4 | Low | 72.3 | Confident | 15 Ų | 15 | 67 Ų | 67 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | trans | -141.1 | 148.8 | 169.7 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | F185 T186 | S181-F185 WeakPolarHBondContact OG-CD1 3.46Å; S181-T186 PolarHBondContact O-OG1 3.3Å; S181-T186 WeakPolarHBondContact OG-CB 3.43Å; S181-T186 PolarHBondContact OG-OG1 3.03Å | ||
| 182 | K | 67 | Low | 71.1 | Confident | 188 Ų | 188 | 71.7 Ų | 71.7 | 82% | 0.817 | 36% | 0.357 | S | S | * | . | trans | -89.7 | 134.7 | -178.9 | -67.4 | -173.9 | 179.7 | -178.8 | 0 | 111.1 | R130 | R130-K182 PolarHBondContact NH1-O 2.83Š| ||
| 183 | G | 63.4 | Low | 69.7 | Low | 51 Ų | 51 | 68.5 Ų | 68.5 | 53% | 0.526 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 87.1 | -165.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F185 T186 | G183-F185 PolarHBondContact O-N 3.25Å; G183-T186 PolarHBondContact O-N 3.48Å; G183-T186 VanDerWaalsContact O-N 3.12Å; G183-T186 PolarHBondContact O-OG1 3.48Å |
| 184 | V | 62.5 | Low | 68.6 | Low | 85 Ų | 85 | 71.9 Ų | 71.9 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.3 | -23.3 | -173.1 | -160.3 | 0 | 0 | 0 | 0 | 113.3 | T186 I187 F188 | V184-T186 VanDerWaalsContact C-N 3.31Å; V184-T186 PolarHBondContact O-N 2.78Å; V184-I187 WeakPolarHBondContact O-CB 3.24Å; V184-I187 PolarHBondContact O-N 2.79Å; V184-I187 VanDerWaalsContact O-N 3.12Å; V184-F188 HydrophobicContact CB-CD2 4.31Å; V184-F188 HydrophobicContact CB-CE2 4.21Å; V184-F188 HydrophobicContact CG1-CD2 3.59Å; V184-F188 HydrophobicContact CG1-CE2 3.24Å; V184-F188 HydrophobicContact CG1-CZ 4.09Å; V184-F188 VanDerWaalsContact O-CD2 3.3Å; V184-F188 WeakPolarHBondContact O-CD2 3.04Å; V184-F188 PolarHBondContact O-N 3.06Å |
| 185 | F | 65 | Low | 67.3 | Low | 10 Ų | 10 | 76 Ų | 76 | 4% | 0.044 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.3 | -42.1 | 175.7 | 176.9 | -86.9 | 0 | 0 | 0 | 113.1 | M120 M122 V132 S181 G183 I187 F188 F189 | M120-F185 HydrophobicContact CB-CE2 4.4Å; M120-F185 HydrophobicContact CB-CZ 3.75Å; M120-F185 HydrophobicContact CE-CE1 3.68Å; M120-F185 HydrophobicContact CE-CE2 3.44Å; M120-F185 VanDerWaalsContact CE-CE2 3.44Å; M120-F185 HydrophobicContact CE-CZ 2.92Å; M120-F185 HydrophobicContact CG-CE2 4.45Å; M120-F185 HydrophobicContact CG-CZ 3.89Å; M120-F185 HydrophobicContact SD-CE1 4.27Å; M120-F185 HydrophobicContact SD-CE2 4.49Å; M120-F185 HydrophobicContact SD-CZ 3.6Å; M122-F185 HydrophobicContact CE-CD1 4.44Å; M122-F185 HydrophobicContact CE-CD2 3.6Å; M122-F185 HydrophobicContact CE-CE1 4.31Å; M122-F185 HydrophobicContact CE-CE2 3.49Å; M122-F185 VanDerWaalsContact CE-CE2 3.49Å; M122-F185 HydrophobicContact CE-CG 4.13Å; M122-F185 HydrophobicContact CE-CZ 3.9Å; M122-F185 HydrophobicContact CG-CD2 4.4Å; M122-F185 HydrophobicContact CG-CE2 3.87Å; M122-F185 HydrophobicContact SD-CD2 3.81Å; M122-F185 HydrophobicContact SD-CE2 3.83Å; V132-F185 HydrophobicContact CG2-CE1 3.52Å; V132-F185 HydrophobicContact CG2-CZ 3.69Å; S181-F185 WeakPolarHBondContact OG-CD1 3.46Å; G183-F185 PolarHBondContact O-N 3.25Å; F185-I187 VanDerWaalsContact C-N 3.26Å; F185-I187 PolarHBondContact O-N 3.35Å; F185-F188 PolarHBondContact O-N 2.83Å; F185-F189 WeakPolarHBondContact O-CB 2.78Å; F185-F189 PolarHBondContact O-N 3.16Å |
| 186 | T | 66.4 | Low | 66.4 | Low | 19 Ų | 19 | 83.7 Ų | 83.7 | 12% | 0.117 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.4 | -36.7 | 179.3 | -37.5 | 0 | 0 | 0 | 0 | 111.2 | S181 G183 V184 K190 | S181-T186 PolarHBondContact O-OG1 3.3Å; S181-T186 WeakPolarHBondContact OG-CB 3.43Å; S181-T186 PolarHBondContact OG-OG1 3.03Å; G183-T186 PolarHBondContact O-N 3.48Å; G183-T186 VanDerWaalsContact O-N 3.12Å; G183-T186 PolarHBondContact O-OG1 3.48Å; V184-T186 VanDerWaalsContact C-N 3.31Å; V184-T186 PolarHBondContact O-N 2.78Å; T186-K190 HydrophobicContact CG2-CD 4.46Å; T186-K190 WeakPolarHBondContact O-CB 3.41Å; T186-K190 VanDerWaalsContact O-CG 3.23Å; T186-K190 WeakPolarHBondContact O-CG 3.24Å; T186-K190 PolarHBondContact O-N 2.82Å |
| 187 | I | 66.2 | Low | 66.1 | Low | 102 Ų | 102 | 83.8 Ų | 83.8 | 52% | 0.523 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.8 | -51.8 | 178.5 | -57.4 | 174 | 0 | 0 | 0 | 109 | V184 F185 F189 K190 M191 | V184-I187 WeakPolarHBondContact O-CB 3.24Å; V184-I187 PolarHBondContact O-N 2.79Å; V184-I187 VanDerWaalsContact O-N 3.12Å; F185-I187 VanDerWaalsContact C-N 3.26Å; F185-I187 PolarHBondContact O-N 3.35Å; I187-F189 PolarHBondContact O-N 3.16Å; I187-K190 PolarHBondContact O-N 2.85Å; I187-M191 VanDerWaalsContact O-CB 3.25Å; I187-M191 WeakPolarHBondContact O-CB 3.38Å; I187-M191 PolarHBondContact O-N 2.68Å |
| 188 | F | 64.5 | Low | 65.9 | Low | 64 Ų | 64 | 82.7 Ų | 82.7 | 28% | 0.281 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 178.1 | -75.4 | -57.5 | 0 | 0 | 0 | 112.5 | F125 V184 F185 K190 M191 F192 | F125-F188 HydrophobicContact CE1-CE2 4.3Å; F125-F188 HydrophobicContact CE1-CZ 4.26Å; F125-F188 HydrophobicContact CE2-CB 4.46Å; F125-F188 HydrophobicContact CE2-CD1 4.37Å; F125-F188 HydrophobicContact CE2-CD2 4.44Å; F125-F188 HydrophobicContact CE2-CG 4.2Å; F125-F188 AromaticContact CZ-CD1 3.99Å; F125-F188 HydrophobicContact CZ-CD1 3.99Å; F125-F188 HydrophobicContact CZ-CD2 4.22Å; F125-F188 AromaticContact CZ-CE1 3.96Å; F125-F188 HydrophobicContact CZ-CE1 3.96Å; F125-F188 HydrophobicContact CZ-CE2 4.18Å; F125-F188 HydrophobicContact CZ-CG 4.12Å; F125-F188 HydrophobicContact CZ-CZ 4.06Å; V184-F188 HydrophobicContact CB-CD2 4.31Å; V184-F188 HydrophobicContact CB-CE2 4.21Å; V184-F188 HydrophobicContact CG1-CD2 3.59Å; V184-F188 HydrophobicContact CG1-CE2 3.24Å; V184-F188 HydrophobicContact CG1-CZ 4.09Å; V184-F188 VanDerWaalsContact O-CD2 3.3Å; V184-F188 WeakPolarHBondContact O-CD2 3.04Å; V184-F188 PolarHBondContact O-N 3.06Å; F185-F188 PolarHBondContact O-N 2.83Å; F188-K190 VanDerWaalsContact C-N 3.33Å; F188-K190 PolarHBondContact O-N 3.25Å; F188-M191 PolarHBondContact O-N 2.81Å; F188-M191 VanDerWaalsContact O-N 3.15Å; F188-F192 HydrophobicContact CB-CD2 4.06Å; F188-F192 HydrophobicContact CB-CE2 4.21Å; F188-F192 HydrophobicContact CD1-CD2 4.13Å; F188-F192 AromaticContact CD1-CE2 3.49Å; F188-F192 HydrophobicContact CD1-CE2 3.49Å; F188-F192 VanDerWaalsContact CD1-CE2 3.49Å; F188-F192 HydrophobicContact CD1-CZ 4.45Å; F188-F192 HydrophobicContact CE1-CE2 4.23Å; F188-F192 HydrophobicContact CG-CE2 4.2Å; F188-F192 WeakPolarHBondContact O-CB 3.41Å; F188-F192 VanDerWaalsContact O-CD2 3.25Å; F188-F192 WeakPolarHBondContact O-CD2 3.39Å; F188-F192 PolarHBondContact O-N 2.85Å |
| 189 | F | 65.3 | Low | 65.8 | Low | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.009 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 177.2 | -172.1 | -101.4 | 0 | 0 | 0 | 111.7 | F71 M120 M122 F179 F185 I187 M191 Y198 | F71-F189 HydrophobicContact CB-CE2 4.45Å; F71-F189 HydrophobicContact CD2-CE2 4.26Å; F71-F189 HydrophobicContact CD2-CZ 4.27Å; M120-F189 HydrophobicContact CE-CD2 3.07Å; M120-F189 HydrophobicContact CE-CE2 3.24Å; M120-F189 HydrophobicContact CE-CG 4.13Å; M120-F189 HydrophobicContact CE-CZ 4.42Å; M120-F189 HydrophobicContact SD-CD2 3.91Å; M120-F189 HydrophobicContact SD-CE2 3.44Å; M120-F189 WeakPolarHBondContact SD-CE2 3.25Å; M120-F189 HydrophobicContact SD-CZ 4.24Å; M122-F189 HydrophobicContact CE-CB 3.65Å; M122-F189 HydrophobicContact CE-CD2 3.75Å; M122-F189 HydrophobicContact CE-CG 4.2Å; F179-F189 HydrophobicContact CD1-CD1 4.2Å; F179-F189 AromaticContact CD1-CE1 3.56Å; F179-F189 HydrophobicContact CD1-CE1 3.56Å; F179-F189 HydrophobicContact CD1-CZ 4.14Å; F179-F189 AromaticContact CD2-CE1 3.92Å; F179-F189 HydrophobicContact CD2-CE1 3.92Å; F179-F189 HydrophobicContact CE1-CD1 4.34Å; F179-F189 AromaticContact CE1-CE1 3.31Å; F179-F189 HydrophobicContact CE1-CE1 3.31Å; F179-F189 AromaticContact CE1-CZ 3.49Å; F179-F189 HydrophobicContact CE1-CZ 3.49Å; F179-F189 VanDerWaalsContact CE1-CZ 3.49Å; F179-F189 AromaticContact CE2-CE1 3.7Å; F179-F189 HydrophobicContact CE2-CE1 3.7Å; F179-F189 HydrophobicContact CE2-CZ 4.32Å; F179-F189 HydrophobicContact CG-CD1 4.32Å; F179-F189 AromaticContact CG-CE1 3.84Å; F179-F189 HydrophobicContact CG-CE1 3.84Å; F179-F189 AromaticContact CZ-CE1 3.38Å; F179-F189 HydrophobicContact CZ-CE1 3.38Å; F179-F189 AromaticContact CZ-CZ 3.6Å; F179-F189 HydrophobicContact CZ-CZ 3.6Å; F185-F189 WeakPolarHBondContact O-CB 2.78Å; F185-F189 PolarHBondContact O-N 3.16Å; I187-F189 PolarHBondContact O-N 3.16Å; F189-M191 VanDerWaalsContact C-N 3.34Å; F189-Y198 HydrophobicContact CD1-CE1 4.36Å; F189-Y198 HydrophobicContact CD1-CE2 4.13Å; F189-Y198 AromaticContact CD1-CZ 3.7Å; F189-Y198 WeakPolarHBondContact CD1-OH 3.37Å; F189-Y198 HydrophobicContact CD2-CE1 4.14Å; F189-Y198 AromaticContact CD2-CZ 3.82Å; F189-Y198 WeakPolarHBondContact CD2-OH 3.49Å; F189-Y198 HydrophobicContact CE1-CD1 4.09Å; F189-Y198 HydrophobicContact CE1-CD2 4.39Å; F189-Y198 AromaticContact CE1-CE1 3.54Å; F189-Y198 HydrophobicContact CE1-CE1 3.54Å; F189-Y198 AromaticContact CE1-CE2 3.77Å; F189-Y198 HydrophobicContact CE1-CE2 3.77Å; F189-Y198 HydrophobicContact CE1-CG 4.44Å; F189-Y198 AromaticContact CE1-CZ 3.26Å; F189-Y198 VanDerWaalsContact CE1-OH 3.23Å; F189-Y198 WeakPolarHBondContact CE1-OH 3.23Å; F189-Y198 HydrophobicContact CE2-CD1 4.35Å; F189-Y198 AromaticContact CE2-CE1 3.33Å; F189-Y198 HydrophobicContact CE2-CE1 3.33Å; F189-Y198 AromaticContact CE2-CZ 3.46Å; F189-Y198 VanDerWaalsContact CE2-CZ 3.46Å; F189-Y198 WeakPolarHBondContact CE2-OH 3.22Å; F189-Y198 AromaticContact CG-CZ 3.98Å; F189-Y198 WeakPolarHBondContact CG-OH 2.95Å; F189-Y198 AromaticContact CZ-CD1 3.66Å; F189-Y198 HydrophobicContact CZ-CD1 3.66Å; F189-Y198 AromaticContact CZ-CE1 2.99Å; F189-Y198 HydrophobicContact CZ-CE1 2.99Å; F189-Y198 HydrophobicContact CZ-CE2 4.13Å; F189-Y198 HydrophobicContact CZ-CG 4.43Å; F189-Y198 AromaticContact CZ-CZ 3.2Å; F189-Y198 WeakPolarHBondContact CZ-OH 3.39Å; F189-Y198 PolarHBondContact O-OH 2.91Å |
| 190 | K | 67.7 | Low | 66 | Low | 103 Ų | 103 | 79 Ų | 79 | 45% | 0.448 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.4 | -32.8 | 174.7 | -74.1 | 177.1 | 179.6 | -178.2 | 0 | 112.7 | T186 I187 F188 F195 | T186-K190 HydrophobicContact CG2-CD 4.46Å; T186-K190 WeakPolarHBondContact O-CB 3.41Å; T186-K190 VanDerWaalsContact O-CG 3.23Å; T186-K190 WeakPolarHBondContact O-CG 3.24Å; T186-K190 PolarHBondContact O-N 2.82Å; I187-K190 PolarHBondContact O-N 2.85Å; F188-K190 VanDerWaalsContact C-N 3.33Å; F188-K190 PolarHBondContact O-N 3.25Å; K190-F195 HydrophobicContact CB-CE2 4.45Å; K190-F195 HydrophobicContact CD-CE2 4.31Å; K190-F195 HydrophobicContact CD-CZ 4.28Å; K190-F195 HydrophobicContact CG-CE2 4.03Å; K190-F195 HydrophobicContact CG-CZ 4.17Å |
| 191 | M | 65.1 | Low | 66.3 | Low | 131 Ų | 131 | 78 Ų | 78 | 65% | 0.645 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -76.3 | -45.8 | -177.5 | -174 | -179.3 | -78.4 | 0 | 0 | 112.5 | I187 F188 F189 | I187-M191 VanDerWaalsContact O-CB 3.25Å; I187-M191 WeakPolarHBondContact O-CB 3.38Å; I187-M191 PolarHBondContact O-N 2.68Å; F188-M191 PolarHBondContact O-N 2.81Å; F188-M191 VanDerWaalsContact O-N 3.15Å; F189-M191 VanDerWaalsContact C-N 3.34Å |
| 192 | F | 62.1 | Low | 66.9 | Low | 100 Ų | 100 | 77.4 Ų | 77.4 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -80.3 | -19.7 | -171.5 | -81.1 | -65.5 | 0 | 0 | 0 | 114.9 | F125 F188 | F125-F192 AromaticContact CE2-CE2 3.91Å; F125-F192 HydrophobicContact CE2-CE2 3.91Å; F125-F192 HydrophobicContact CZ-CE2 4.03Å; F188-F192 HydrophobicContact CB-CD2 4.06Å; F188-F192 HydrophobicContact CB-CE2 4.21Å; F188-F192 HydrophobicContact CD1-CD2 4.13Å; F188-F192 AromaticContact CD1-CE2 3.49Å; F188-F192 HydrophobicContact CD1-CE2 3.49Å; F188-F192 VanDerWaalsContact CD1-CE2 3.49Å; F188-F192 HydrophobicContact CD1-CZ 4.45Å; F188-F192 HydrophobicContact CE1-CE2 4.23Å; F188-F192 HydrophobicContact CG-CE2 4.2Å; F188-F192 WeakPolarHBondContact O-CB 3.41Å; F188-F192 VanDerWaalsContact O-CD2 3.25Å; F188-F192 WeakPolarHBondContact O-CD2 3.39Å; F188-F192 PolarHBondContact O-N 2.85Å |
| 193 | N | 58.3 | Low | 67.7 | Low | 21 Ų | 21 | 71.4 Ų | 71.4 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -133.1 | 111.5 | -173.4 | -68.9 | -57.3 | 0 | 0 | 0 | 105.9 | F195 Y198 | N193-F195 PolarHBondContact O-N 2.84Å; N193-Y198 HydrophobicContact CB-CD2 3.94Å; N193-Y198 HydrophobicContact CB-CE1 3.68Å; N193-Y198 HydrophobicContact CB-CE2 3.04Å; N193-Y198 WeakPolarHBondContact CB-OH 3.42Å; N193-Y198 VanDerWaalsContact CG-CZ 3.45Å; N193-Y198 PolarHBondContact ND2-OH 3.14Å; N193-Y198 WeakPolarHBondContact O-CE2 3.04Å |
| 194 | Q | 60.8 | Low | 68.6 | Low | 148 Ų | 148 | 78 Ų | 78 | 69% | 0.692 | 37% | 0.365 | S | S | * | . | trans | -54.8 | 131.2 | 177.5 | -63.7 | 172.1 | -10.9 | 0 | 0 | 108.7 | R196 L197 | Q194-R196 PolarHBondContact O-N 2.78Å; Q194-L197 PolarHBondContact O-N 2.87Å | ||
| 195 | F | 59.7 | Low | 69.5 | Low | 116 Ų | 116 | 75.1 Ų | 75.1 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -42.3 | -35.9 | -177 | -99.3 | -90.9 | 0 | 0 | 0 | 114 | K190 N193 L197 Y198 D199 | K190-F195 HydrophobicContact CB-CE2 4.45Å; K190-F195 HydrophobicContact CD-CE2 4.31Å; K190-F195 HydrophobicContact CD-CZ 4.28Å; K190-F195 HydrophobicContact CG-CE2 4.03Å; K190-F195 HydrophobicContact CG-CZ 4.17Å; N193-F195 PolarHBondContact O-N 2.84Å; F195-L197 PolarHBondContact O-N 3.07Å; F195-Y198 PolarHBondContact O-N 2.75Å; F195-D199 PolarHBondContact O-N 2.88Å |
| 196 | R | 59.8 | Low | 70.3 | Confident | 222 Ų | 222 | 74.7 Ų | 74.7 | 84% | 0.838 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.9 | -34.6 | 179.7 | -70.7 | -175.5 | 173.9 | 171.7 | -1.6 | 114.9 | Q194 | Q194-R196 PolarHBondContact O-N 2.78Å |
| 197 | L | 64.7 | Low | 71.3 | Confident | 105 Ų | 105 | 75.4 Ų | 75.4 | 55% | 0.55 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.5 | -36.1 | -178 | -72.9 | 170.9 | 0 | 0 | 0 | 111.6 | Q194 F195 I201 | Q194-L197 PolarHBondContact O-N 2.87Å; F195-L197 PolarHBondContact O-N 3.07Å; L197-I201 WeakPolarHBondContact O-CD1 3.42Å; L197-I201 VanDerWaalsContact O-CG1 3.26Å; L197-I201 WeakPolarHBondContact O-CG1 3.44Å; L197-I201 PolarHBondContact O-N 2.72Å |
| 198 | Y | 71.8 | Confident | 72.2 | Confident | 7 Ų | 7 | 75.9 Ų | 75.9 | 3% | 0.027 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 177.6 | -64.3 | -68.8 | 0 | 0 | 0 | 113 | F71 F189 N193 F195 G200 I201 I202 | F71-Y198 HydrophobicContact CB-CD1 3.9Å; F71-Y198 HydrophobicContact CB-CE1 3.47Å; F71-Y198 VanDerWaalsContact CB-CE1 3.47Å; F71-Y198 AromaticContact CD1-CD1 3.33Å; F71-Y198 HydrophobicContact CD1-CD1 3.33Å; F71-Y198 AromaticContact CD1-CE1 3.83Å; F71-Y198 HydrophobicContact CD1-CE1 3.83Å; F71-Y198 HydrophobicContact CD1-CG 4.49Å; F71-Y198 HydrophobicContact CD2-CD1 4.48Å; F71-Y198 HydrophobicContact CD2-CE1 4.38Å; F71-Y198 AromaticContact CE1-CD1 3.81Å; F71-Y198 HydrophobicContact CE1-CD1 3.81Å; F71-Y198 AromaticContact CG-CD1 3.68Å; F71-Y198 HydrophobicContact CG-CD1 3.68Å; F71-Y198 AromaticContact CG-CE1 3.67Å; F71-Y198 HydrophobicContact CG-CE1 3.67Å; F189-Y198 HydrophobicContact CD1-CE1 4.36Å; F189-Y198 HydrophobicContact CD1-CE2 4.13Å; F189-Y198 AromaticContact CD1-CZ 3.7Å; F189-Y198 WeakPolarHBondContact CD1-OH 3.37Å; F189-Y198 HydrophobicContact CD2-CE1 4.14Å; F189-Y198 AromaticContact CD2-CZ 3.82Å; F189-Y198 WeakPolarHBondContact CD2-OH 3.49Å; F189-Y198 HydrophobicContact CE1-CD1 4.09Å; F189-Y198 HydrophobicContact CE1-CD2 4.39Å; F189-Y198 AromaticContact CE1-CE1 3.54Å; F189-Y198 HydrophobicContact CE1-CE1 3.54Å; F189-Y198 AromaticContact CE1-CE2 3.77Å; F189-Y198 HydrophobicContact CE1-CE2 3.77Å; F189-Y198 HydrophobicContact CE1-CG 4.44Å; F189-Y198 AromaticContact CE1-CZ 3.26Å; F189-Y198 VanDerWaalsContact CE1-OH 3.23Å; F189-Y198 WeakPolarHBondContact CE1-OH 3.23Å; F189-Y198 HydrophobicContact CE2-CD1 4.35Å; F189-Y198 AromaticContact CE2-CE1 3.33Å; F189-Y198 HydrophobicContact CE2-CE1 3.33Å; F189-Y198 AromaticContact CE2-CZ 3.46Å; F189-Y198 VanDerWaalsContact CE2-CZ 3.46Å; F189-Y198 WeakPolarHBondContact CE2-OH 3.22Å; F189-Y198 AromaticContact CG-CZ 3.98Å; F189-Y198 WeakPolarHBondContact CG-OH 2.95Å; F189-Y198 AromaticContact CZ-CD1 3.66Å; F189-Y198 HydrophobicContact CZ-CD1 3.66Å; F189-Y198 AromaticContact CZ-CE1 2.99Å; F189-Y198 HydrophobicContact CZ-CE1 2.99Å; F189-Y198 HydrophobicContact CZ-CE2 4.13Å; F189-Y198 HydrophobicContact CZ-CG 4.43Å; F189-Y198 AromaticContact CZ-CZ 3.2Å; F189-Y198 WeakPolarHBondContact CZ-OH 3.39Å; F189-Y198 PolarHBondContact O-OH 2.91Å; N193-Y198 HydrophobicContact CB-CD2 3.94Å; N193-Y198 HydrophobicContact CB-CE1 3.68Å; N193-Y198 HydrophobicContact CB-CE2 3.04Å; N193-Y198 WeakPolarHBondContact CB-OH 3.42Å; N193-Y198 VanDerWaalsContact CG-CZ 3.45Å; N193-Y198 PolarHBondContact ND2-OH 3.14Å; N193-Y198 WeakPolarHBondContact O-CE2 3.04Å; F195-Y198 PolarHBondContact O-N 2.75Å; Y198-G200 VanDerWaalsContact C-N 3.35Å; Y198-G200 PolarHBondContact O-N 3.24Å; Y198-I201 PolarHBondContact O-N 3.16Å; Y198-I201 VanDerWaalsContact O-N 3.14Å; Y198-I202 WeakPolarHBondContact O-CB 3.44Å; Y198-I202 WeakPolarHBondContact O-CD1 3.33Å; Y198-I202 VanDerWaalsContact O-CG1 3.25Å; Y198-I202 WeakPolarHBondContact O-CG1 3.25Å; Y198-I202 PolarHBondContact O-N 2.75Å |
| 199 | D | 74.8 | Confident | 72.9 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -53.7 | -54.1 | -177.3 | -163.6 | 58.5 | 0 | 0 | 0 | 110.2 | W174 F195 I201 I202 K203 | W174-D199 VanDerWaalsContact CZ2-O 3.3Å; W174-D199 WeakPolarHBondContact CZ2-O 3.13Å; W174-D199 WeakPolarHBondContact CZ2-OD1 3.39Å; W174-D199 PolarHBondContact NE1-OD1 3.15Å; F195-D199 PolarHBondContact O-N 2.88Å; D199-I201 PolarHBondContact O-N 3.47Å; D199-I202 PolarHBondContact O-N 2.75Å; D199-K203 WeakPolarHBondContact O-CB 3.42Å; D199-K203 PolarHBondContact O-N 2.75Å |
| 200 | G | 79.3 | Confident | 73.6 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 30% | 0.299 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y198 R204 | Y198-G200 VanDerWaalsContact C-N 3.35Å; Y198-G200 PolarHBondContact O-N 3.24Å; G200-R204 WeakPolarHBondContact O-CB 3.39Å; G200-R204 VanDerWaalsContact O-CG 3.31Å; G200-R204 WeakPolarHBondContact O-CG 3.46Å; G200-R204 PolarHBondContact O-N 2.85Å |
| 201 | I | 79.8 | Confident | 74.5 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.5 | -46.6 | -179.8 | -67.8 | 167.8 | 0 | 0 | 0 | 111 | I69 F71 L197 Y198 D199 K203 S205 | I69-I201 HydrophobicContact CG2-CG2 3.38Å; F71-I201 HydrophobicContact CD1-CB 4.1Å; F71-I201 HydrophobicContact CD1-CD1 4.02Å; F71-I201 HydrophobicContact CD1-CG2 3.74Å; F71-I201 HydrophobicContact CE1-CB 3.88Å; F71-I201 HydrophobicContact CE1-CG2 3.47Å; F71-I201 VanDerWaalsContact CE1-CG2 3.47Å; F71-I201 HydrophobicContact CZ-CG2 4.42Å; L197-I201 WeakPolarHBondContact O-CD1 3.42Å; L197-I201 VanDerWaalsContact O-CG1 3.26Å; L197-I201 WeakPolarHBondContact O-CG1 3.44Å; L197-I201 PolarHBondContact O-N 2.72Å; Y198-I201 PolarHBondContact O-N 3.16Å; Y198-I201 VanDerWaalsContact O-N 3.14Å; D199-I201 PolarHBondContact O-N 3.47Å; I201-K203 VanDerWaalsContact C-N 3.26Å; I201-K203 PolarHBondContact O-N 3.03Å; I201-S205 WeakPolarHBondContact O-CB 2.99Å; I201-S205 PolarHBondContact O-N 2.63Å; I201-S205 PolarHBondContact O-OG 3.09Å |
| 202 | I | 79.9 | Confident | 75.3 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.2 | -63.8 | 162 | 0 | 0 | 0 | 108.6 | F71 I116 I134 I136 W174 L177 F179 Y198 D199 R204 S205 I206 | F71-I202 HydrophobicContact CE1-CD1 4.42Å; F71-I202 HydrophobicContact CE1-CG1 3.76Å; F71-I202 HydrophobicContact CZ-CD1 4.33Å; F71-I202 HydrophobicContact CZ-CG1 3.7Å; I116-I202 HydrophobicContact CD1-CG2 3.99Å; I134-I202 HydrophobicContact CD1-CD1 4.14Å; I136-I202 HydrophobicContact CD1-CG2 4.34Å; W174-I202 HydrophobicContact CH2-CB 3.82Å; W174-I202 HydrophobicContact CH2-CG2 3.62Å; W174-I202 HydrophobicContact CZ3-CG2 4Å; L177-I202 HydrophobicContact CD1-CD1 3.68Å; L177-I202 HydrophobicContact CD1-CG2 4.48Å; L177-I202 HydrophobicContact CD2-CD1 4.26Å; F179-I202 HydrophobicContact CE2-CD1 3.84Å; F179-I202 HydrophobicContact CZ-CD1 3.62Å; Y198-I202 WeakPolarHBondContact O-CB 3.44Å; Y198-I202 WeakPolarHBondContact O-CD1 3.33Å; Y198-I202 VanDerWaalsContact O-CG1 3.25Å; Y198-I202 WeakPolarHBondContact O-CG1 3.25Å; Y198-I202 PolarHBondContact O-N 2.75Å; D199-I202 PolarHBondContact O-N 2.75Å; I202-R204 PolarHBondContact O-N 2.8Å; I202-S205 WeakPolarHBondContact O-CB 3.17Å; I202-S205 PolarHBondContact O-N 2.82Å; I202-S205 VanDerWaalsContact O-N 3.12Å; I202-I206 HydrophobicContact CG2-CD1 4.04Å; I202-I206 HydrophobicContact CG2-CG1 4.35Å; I202-I206 WeakPolarHBondContact O-CG1 3.36Å; I202-I206 PolarHBondContact O-N 3.22Å |
| 203 | K | 84.5 | Confident | 76 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 27% | 0.274 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.9 | -54.8 | -178.3 | -174.3 | -178.7 | 176.8 | 167.1 | 0 | 110.8 | V171 W174 D199 I201 S205 I206 E207 | V171-K203 HydrophobicContact CB-CD 4.34Å; V171-K203 HydrophobicContact CB-CG 3.76Å; V171-K203 HydrophobicContact CG1-CG 4.13Å; V171-K203 HydrophobicContact CG2-CG 4.32Å; V171-K203 WeakPolarHBondContact O-CE 3.22Å; V171-K203 PolarHBondContact O-NZ 3.47Å; W174-K203 VanDerWaalsContact CH2-CA 3.42Å; W174-K203 HydrophobicContact CH2-CB 3.59Å; W174-K203 HydrophobicContact CH2-CG 4.36Å; W174-K203 VanDerWaalsContact CH2-N 3.28Å; W174-K203 HydrophobicContact CZ2-CB 3.9Å; W174-K203 HydrophobicContact CZ3-CB 4.23Å; D199-K203 WeakPolarHBondContact O-CB 3.42Å; D199-K203 PolarHBondContact O-N 2.75Å; I201-K203 VanDerWaalsContact C-N 3.26Å; I201-K203 PolarHBondContact O-N 3.03Å; K203-S205 PolarHBondContact O-N 2.86Å; K203-I206 PolarHBondContact O-N 2.83Å; K203-E207 VanDerWaalsContact CE-OE1 3.24Å; K203-E207 WeakPolarHBondContact CE-OE1 2.99Å; K203-E207 VanDerWaalsContact O-CG 3.29Å; K203-E207 WeakPolarHBondContact O-CG 3.21Å; K203-E207 PolarHBondContact O-N 3.41Å |
| 204 | R | 83.5 | Confident | 77 | Confident | 188 Ų | 188 | 63.9 Ų | 63.9 | 71% | 0.709 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.3 | -34.5 | 177 | -72.7 | 176.1 | -178 | 174.6 | 1.3 | 112.8 | G200 I202 K208 | G200-R204 WeakPolarHBondContact O-CB 3.39Å; G200-R204 VanDerWaalsContact O-CG 3.31Å; G200-R204 WeakPolarHBondContact O-CG 3.46Å; G200-R204 PolarHBondContact O-N 2.85Å; I202-R204 PolarHBondContact O-N 2.8Å; R204-K208 VanDerWaalsContact O-CB 3.22Å; R204-K208 WeakPolarHBondContact O-CB 3.48Å; R204-K208 PolarHBondContact O-N 2.98Å |
| 205 | S | 81.4 | Confident | 77.9 | Confident | 25 Ų | 25 | 59.5 Ų | 59.5 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | I69 I201 I202 K203 E209 | I69-S205 WeakPolarHBondContact CD1-OG 3.34Å; I201-S205 WeakPolarHBondContact O-CB 2.99Å; I201-S205 PolarHBondContact O-N 2.63Å; I201-S205 PolarHBondContact O-OG 3.09Å; I202-S205 WeakPolarHBondContact O-CB 3.17Å; I202-S205 PolarHBondContact O-N 2.82Å; I202-S205 VanDerWaalsContact O-N 3.12Å; K203-S205 PolarHBondContact O-N 2.86Å; S205-E209 VanDerWaalsContact O-CB 3.32Å; S205-E209 WeakPolarHBondContact O-CB 3.09Å; S205-E209 PolarHBondContact O-N 2.73Å |
| 206 | I | 80.9 | Confident | 78.8 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 173.3 | -64.9 | -179.6 | 0 | 0 | 0 | 110.5 | I116 I136 I139 I141 V171 W174 I202 K203 K208 E209 I210 | I116-I206 HydrophobicContact CD1-CD1 3.6Å; I116-I206 HydrophobicContact CD1-CG1 3.98Å; I136-I206 HydrophobicContact CD1-CD1 3.76Å; I139-I206 HydrophobicContact CD1-CD1 4.29Å; I139-I206 HydrophobicContact CD1-CG2 4.4Å; I141-I206 HydrophobicContact CD1-CG2 4.5Å; V171-I206 HydrophobicContact CG2-CG2 4.33Å; W174-I206 HydrophobicContact CE3-CD1 4.47Å; W174-I206 HydrophobicContact CZ3-CD1 3.72Å; I202-I206 HydrophobicContact CG2-CD1 4.04Å; I202-I206 HydrophobicContact CG2-CG1 4.35Å; I202-I206 WeakPolarHBondContact O-CG1 3.36Å; I202-I206 PolarHBondContact O-N 3.22Å; K203-I206 PolarHBondContact O-N 2.83Å; I206-K208 VanDerWaalsContact C-N 3.32Å; I206-K208 PolarHBondContact O-N 2.95Å; I206-E209 PolarHBondContact O-N 2.69Å; I206-I210 HydrophobicContact CG2-CD1 3.54Å; I206-I210 HydrophobicContact CG2-CG1 4.23Å; I206-I210 WeakPolarHBondContact O-CB 3.13Å; I206-I210 WeakPolarHBondContact O-CG1 3.32Å; I206-I210 PolarHBondContact O-N 3.16Å |
| 207 | E | 87.3 | Confident | 79.5 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 16% | 0.159 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.1 | -48.7 | 177.8 | -72.5 | 170.5 | 170.1 | 0 | 0 | 111.4 | T170 V171 K203 Y211 | T170-E207 WeakPolarHBondContact CA-OE1 3.44Å; V171-E207 HydrophobicContact CB-CG 4.24Å; V171-E207 HydrophobicContact CG2-CG 3.78Å; V171-E207 PolarHBondContact N-OE1 3.18Å; K203-E207 VanDerWaalsContact CE-OE1 3.24Å; K203-E207 WeakPolarHBondContact CE-OE1 2.99Å; K203-E207 VanDerWaalsContact O-CG 3.29Å; K203-E207 WeakPolarHBondContact O-CG 3.21Å; K203-E207 PolarHBondContact O-N 3.41Å; E207-Y211 VanDerWaalsContact O-CB 3.24Å; E207-Y211 WeakPolarHBondContact O-CB 3.42Å; E207-Y211 PolarHBondContact O-N 2.88Å |
| 208 | K | 84.7 | Confident | 79.9 | Confident | 113 Ų | 113 | 44.4 Ų | 44.4 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.6 | -42.7 | 178.6 | -176.2 | 178.5 | 179.9 | -179.9 | 0 | 112.1 | R204 I206 Y211 Q212 | R204-K208 VanDerWaalsContact O-CB 3.22Å; R204-K208 WeakPolarHBondContact O-CB 3.48Å; R204-K208 PolarHBondContact O-N 2.98Å; I206-K208 VanDerWaalsContact C-N 3.32Å; I206-K208 PolarHBondContact O-N 2.95Å; K208-Y211 PolarHBondContact O-N 2.74Å; K208-Q212 HydrophobicContact CG-CG 4.49Å; K208-Q212 WeakPolarHBondContact O-CB 3.31Å; K208-Q212 VanDerWaalsContact O-CG 3.27Å; K208-Q212 WeakPolarHBondContact O-CG 3.11Å; K208-Q212 PolarHBondContact O-N 3.04Å |
| 209 | E | 79.6 | Confident | 80 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66 | -47.1 | -178.9 | -174.9 | 62.4 | -151.9 | 0 | 0 | 111.2 | I65 I81 S205 I206 Y211 Q212 Q213 | I65-E209 HydrophobicContact CG1-CG 4.12Å; I65-E209 WeakPolarHBondContact CG2-OE2 3.35Å; I81-E209 HydrophobicContact CD1-CB 4.47Å; I81-E209 HydrophobicContact CD1-CG 4.16Å; S205-E209 VanDerWaalsContact O-CB 3.32Å; S205-E209 WeakPolarHBondContact O-CB 3.09Å; S205-E209 PolarHBondContact O-N 2.73Å; I206-E209 PolarHBondContact O-N 2.69Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-Y211 PolarHBondContact O-N 2.85Å; E209-Q212 PolarHBondContact O-N 2.69Å; E209-Q213 WeakPolarHBondContact O-CB 3.39Å; E209-Q213 WeakPolarHBondContact O-CG 3.41Å; E209-Q213 PolarHBondContact O-N 3.49Å; E209-Q213 PolarHBondContact OE1-NE2 3.22Å |
| 210 | I | 80.4 | Confident | 79.8 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.2 | -68.3 | 173.3 | 0 | 0 | 0 | 110.6 | L54 L84 I141 V169 I206 Q212 Q213 I214 | L54-I210 HydrophobicContact CD2-CG2 3.81Å; L84-I210 HydrophobicContact CD2-CD1 4.11Å; L84-I210 HydrophobicContact CD2-CG1 4.37Å; I141-I210 HydrophobicContact CD1-CD1 3.23Å; V169-I210 HydrophobicContact CG1-CB 4.09Å; V169-I210 HydrophobicContact CG1-CG2 3.83Å; V169-I210 HydrophobicContact CG2-CG2 4.33Å; I206-I210 HydrophobicContact CG2-CD1 3.54Å; I206-I210 HydrophobicContact CG2-CG1 4.23Å; I206-I210 WeakPolarHBondContact O-CB 3.13Å; I206-I210 WeakPolarHBondContact O-CG1 3.32Å; I206-I210 PolarHBondContact O-N 3.16Å; I210-Q212 PolarHBondContact O-N 3.4Å; I210-Q213 PolarHBondContact O-N 3.33Å; I210-I214 HydrophobicContact CG2-CD1 3.75Å; I210-I214 HydrophobicContact CG2-CG1 4.39Å; I210-I214 WeakPolarHBondContact O-CG1 3.44Å; I210-I214 PolarHBondContact O-N 2.03Å |
| 211 | Y | 86.3 | Confident | 79 | Confident | 80 Ų | 80 | 44.8 Ų | 44.8 | 31% | 0.314 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -54.4 | -52.8 | 173.9 | -179.2 | -81.9 | 0 | 0 | 0 | 111.3 | V166 V169 E207 K208 E209 Q213 I214 E215 | V166-Y211 HydrophobicContact CB-CD2 4.03Å; V166-Y211 HydrophobicContact CB-CE2 3.72Å; V166-Y211 HydrophobicContact CG1-CD2 3.47Å; V166-Y211 VanDerWaalsContact CG1-CD2 3.47Å; V166-Y211 HydrophobicContact CG1-CE2 3.59Å; V166-Y211 HydrophobicContact CG1-CG 4.34Å; V166-Y211 VanDerWaalsContact O-CE2 3.25Å; V166-Y211 WeakPolarHBondContact O-CE2 3.01Å; V166-Y211 PolarHBondContact O-OH 2.84Å; V169-Y211 HydrophobicContact CG2-CD2 4.14Å; E207-Y211 VanDerWaalsContact O-CB 3.24Å; E207-Y211 WeakPolarHBondContact O-CB 3.42Å; E207-Y211 PolarHBondContact O-N 2.88Å; K208-Y211 PolarHBondContact O-N 2.74Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-Y211 PolarHBondContact O-N 2.85Å; Y211-Q213 VanDerWaalsContact C-N 3.31Å; Y211-Q213 PolarHBondContact O-N 3.38Å; Y211-I214 PolarHBondContact O-N 2.84Å; Y211-E215 HydrophobicContact CE1-CB 4.48Å; Y211-E215 VanDerWaalsContact CE1-OE2 3.32Å; Y211-E215 WeakPolarHBondContact CE1-OE2 3.39Å; Y211-E215 VanDerWaalsContact O-CB 3.3Å; Y211-E215 WeakPolarHBondContact O-CB 3.42Å; Y211-E215 PolarHBondContact O-N 2.77Å |
| 212 | Q | 81.5 | Confident | 78.2 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 27% | 0.271 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.4 | -35.6 | -178.2 | -74.7 | -177 | -17.7 | 0 | 0 | 112.6 | K208 E209 I210 K216 | K208-Q212 HydrophobicContact CG-CG 4.49Å; K208-Q212 WeakPolarHBondContact O-CB 3.31Å; K208-Q212 VanDerWaalsContact O-CG 3.27Å; K208-Q212 WeakPolarHBondContact O-CG 3.11Å; K208-Q212 PolarHBondContact O-N 3.04Å; E209-Q212 PolarHBondContact O-N 2.69Å; I210-Q212 PolarHBondContact O-N 3.4Å; Q212-K216 WeakPolarHBondContact O-CB 3.39Å; Q212-K216 WeakPolarHBondContact O-CG 3.43Å; Q212-K216 PolarHBondContact O-N 3.06Å |
| 213 | Q | 77.8 | Confident | 77.3 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.5 | -50.3 | 177.5 | -75.1 | 177.6 | 12.4 | 0 | 0 | 111.3 | Y63 E209 I210 Y211 E215 K216 S217 | Y63-Q213 VanDerWaalsContact CD1-NE2 3.27Å; E209-Q213 WeakPolarHBondContact O-CB 3.39Å; E209-Q213 WeakPolarHBondContact O-CG 3.41Å; E209-Q213 PolarHBondContact O-N 3.49Å; E209-Q213 PolarHBondContact OE1-NE2 3.22Å; I210-Q213 PolarHBondContact O-N 3.33Å; Y211-Q213 VanDerWaalsContact C-N 3.31Å; Y211-Q213 PolarHBondContact O-N 3.38Å; Q213-E215 VanDerWaalsContact C-N 3.31Å; Q213-E215 PolarHBondContact O-N 3.05Å; Q213-K216 PolarHBondContact O-N 3.44Å; Q213-S217 WeakPolarHBondContact O-CB 3.4Å; Q213-S217 PolarHBondContact O-N 3.14Å; Q213-S217 PolarHBondContact O-OG 2.86Å |
| 214 | I | 77.9 | Confident | 75.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 178.8 | -61.3 | 170 | 0 | 0 | 0 | 110.2 | L54 L143 L145 V166 I210 Y211 K216 S217 L218 | L54-I214 HydrophobicContact CD2-CD1 3.83Å; L54-I214 HydrophobicContact CD2-CG1 3.76Å; L54-I214 HydrophobicContact CG-CG1 4.42Å; L143-I214 HydrophobicContact CD1-CD1 3.43Å; L143-I214 VanDerWaalsContact CD1-CD1 3.43Å; L143-I214 HydrophobicContact CD2-CD1 3.78Å; L143-I214 HydrophobicContact CG-CD1 4.23Å; L145-I214 HydrophobicContact CD2-CG2 4.4Å; V166-I214 HydrophobicContact CG2-CB 3.91Å; V166-I214 HydrophobicContact CG2-CG2 3.45Å; V166-I214 VanDerWaalsContact CG2-CG2 3.45Å; I210-I214 HydrophobicContact CG2-CD1 3.75Å; I210-I214 HydrophobicContact CG2-CG1 4.39Å; I210-I214 WeakPolarHBondContact O-CG1 3.44Å; I210-I214 PolarHBondContact O-N 2.03Å; Y211-I214 PolarHBondContact O-N 2.84Å; I214-K216 PolarHBondContact O-N 3.21Å; I214-S217 PolarHBondContact O-N 2.98Å; I214-L218 HydrophobicContact CG2-CD1 3.99Å; I214-L218 HydrophobicContact CG2-CG 4.26Å; I214-L218 WeakPolarHBondContact O-CB 3.45Å; I214-L218 VanDerWaalsContact O-CG 3.27Å; I214-L218 WeakPolarHBondContact O-CG 3.13Å; I214-L218 PolarHBondContact O-N 3Å |
| 215 | E | 81.3 | Confident | 75.1 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 178 | -166.7 | -166.6 | 172.1 | 0 | 0 | 111.9 | V166 Y211 Q213 K219 | V166-E215 HydrophobicContact CG2-CB 4.44Å; Y211-E215 HydrophobicContact CE1-CB 4.48Å; Y211-E215 VanDerWaalsContact CE1-OE2 3.32Å; Y211-E215 WeakPolarHBondContact CE1-OE2 3.39Å; Y211-E215 VanDerWaalsContact O-CB 3.3Å; Y211-E215 WeakPolarHBondContact O-CB 3.42Å; Y211-E215 PolarHBondContact O-N 2.77Å; Q213-E215 VanDerWaalsContact C-N 3.31Å; Q213-E215 PolarHBondContact O-N 3.05Å; E215-K219 WeakPolarHBondContact O-CG 3.44Å; E215-K219 PolarHBondContact O-N 3.2Å; E215-K219 WeakPolarHBondContact OE1-CE 3.01Å; E215-K219 IonicContact OE1-NZ 2.66Å; E215-K219 PolarHBondContact OE1-NZ 3Å |
| 216 | K | 78.5 | Confident | 74.8 | Confident | 120 Ų | 120 | 51.8 Ų | 51.8 | 52% | 0.522 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -44.4 | 174 | -76.2 | 175 | -178.9 | -179.4 | 0 | 111.8 | Y57 Q212 Q213 I214 L218 K219 S220 | Y57-K216 HydrophobicContact CD2-CB 4.41Å; Y57-K216 HydrophobicContact CE2-CB 3.59Å; Y57-K216 PolarHBondContact OH-O 3.27Å; Q212-K216 WeakPolarHBondContact O-CB 3.39Å; Q212-K216 WeakPolarHBondContact O-CG 3.43Å; Q212-K216 PolarHBondContact O-N 3.06Å; Q213-K216 PolarHBondContact O-N 3.44Å; I214-K216 PolarHBondContact O-N 3.21Å; K216-L218 VanDerWaalsContact C-N 3.31Å; K216-L218 PolarHBondContact O-N 3Å; K216-K219 PolarHBondContact O-N 3.07Å; K216-S220 PolarHBondContact O-N 2.66Å |
| 217 | S | 74.5 | Confident | 74.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -47.8 | 179.8 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | L53 H56 Q213 I214 K219 S220 F221 | L53-S217 WeakPolarHBondContact O-CB 3.25Å; L53-S217 PolarHBondContact O-OG 3.1Å; H56-S217 WeakPolarHBondContact CB-OG 3.35Å; Q213-S217 WeakPolarHBondContact O-CB 3.4Å; Q213-S217 PolarHBondContact O-N 3.14Å; Q213-S217 PolarHBondContact O-OG 2.86Å; I214-S217 PolarHBondContact O-N 2.98Å; S217-K219 PolarHBondContact O-N 3.25Å; S217-S220 WeakPolarHBondContact O-CB 3.46Å; S217-S220 PolarHBondContact O-N 2.87Å; S217-F221 VanDerWaalsContact C-CD2 3.45Å; S217-F221 WeakPolarHBondContact O-CD2 3.36Å; S217-F221 WeakPolarHBondContact O-CE2 3.21Å; S217-F221 WeakPolarHBondContact O-CG 3.37Å; S217-F221 PolarHBondContact O-N 3.25Å |
| 218 | L | 72.9 | Confident | 73.7 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.9 | -52.4 | 174.3 | -70.8 | 172.2 | 0 | 0 | 0 | 111.1 | L53 I164 V166 I214 K216 S220 F221 F222 | L53-L218 HydrophobicContact CD2-CD2 4.13Å; I164-L218 HydrophobicContact CB-CD2 4.29Å; I164-L218 HydrophobicContact CG2-CD1 3.96Å; I164-L218 HydrophobicContact CG2-CD2 4.03Å; V166-L218 HydrophobicContact CG2-CD1 3.83Å; I214-L218 HydrophobicContact CG2-CD1 3.99Å; I214-L218 HydrophobicContact CG2-CG 4.26Å; I214-L218 WeakPolarHBondContact O-CB 3.45Å; I214-L218 VanDerWaalsContact O-CG 3.27Å; I214-L218 WeakPolarHBondContact O-CG 3.13Å; I214-L218 PolarHBondContact O-N 3Å; K216-L218 VanDerWaalsContact C-N 3.31Å; K216-L218 PolarHBondContact O-N 3Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.29Å; L218-F221 PolarHBondContact O-N 2.92Å; L218-F222 HydrophobicContact CD2-CE2 4.38Å; L218-F222 WeakPolarHBondContact O-CD2 3.26Å; L218-F222 PolarHBondContact O-N 3.35Å |
| 219 | K | 74.1 | Confident | 73 | Confident | 74 Ų | 74 | 52.3 Ų | 52.3 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.8 | -47.5 | 176.8 | -77.5 | 173 | -173.2 | 170.7 | 0 | 112.5 | L162 E215 K216 S217 F221 F222 E223 | L162-K219 HydrophobicContact CD1-CG 3.69Å; E215-K219 WeakPolarHBondContact O-CG 3.44Å; E215-K219 PolarHBondContact O-N 3.2Å; E215-K219 WeakPolarHBondContact OE1-CE 3.01Å; E215-K219 IonicContact OE1-NZ 2.66Å; E215-K219 PolarHBondContact OE1-NZ 3Å; K216-K219 PolarHBondContact O-N 3.07Å; S217-K219 PolarHBondContact O-N 3.25Å; K219-F221 VanDerWaalsContact C-N 3.25Å; K219-F221 PolarHBondContact O-N 3.39Å; K219-F222 PolarHBondContact O-N 2.99Å; K219-F222 VanDerWaalsContact O-N 3.11Å; K219-E223 WeakPolarHBondContact O-CB 3.39Å; K219-E223 PolarHBondContact O-N 2.55Å |
| 220 | S | 69.4 | Low | 72.6 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56 | -39.8 | 176.8 | -138.7 | 0 | 0 | 0 | 0 | 112.6 | Y57 K216 S217 L218 F222 | Y57-S220 VanDerWaalsContact OH-CB 3.24Å; Y57-S220 WeakPolarHBondContact OH-CB 3.16Å; Y57-S220 PolarHBondContact OH-OG 2.95Å; K216-S220 PolarHBondContact O-N 2.66Å; S217-S220 WeakPolarHBondContact O-CB 3.46Å; S217-S220 PolarHBondContact O-N 2.87Å; L218-S220 VanDerWaalsContact C-N 3.32Å; L218-S220 PolarHBondContact O-N 3.29Å; S220-F222 VanDerWaalsContact C-N 3.26Å; S220-F222 PolarHBondContact O-N 3.25Å |
| 221 | F | 64 | Low | 72 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.6 | -15.5 | -178.7 | -68 | -53.4 | 0 | 0 | 0 | 114.5 | Y6 I10 L53 H56 S217 L218 K219 | Y6-F221 VanDerWaalsContact CB-CD1 3.43Å; Y6-F221 HydrophobicContact CD1-CD1 4.04Å; Y6-F221 AromaticContact CD1-CE1 3.34Å; Y6-F221 HydrophobicContact CD1-CE1 3.34Å; Y6-F221 AromaticContact CD1-CZ 3.65Å; Y6-F221 HydrophobicContact CD1-CZ 3.65Å; Y6-F221 AromaticContact CD2-CD1 3.94Å; Y6-F221 HydrophobicContact CD2-CD1 3.94Å; Y6-F221 AromaticContact CD2-CE1 3.42Å; Y6-F221 HydrophobicContact CD2-CE1 3.42Å; Y6-F221 VanDerWaalsContact CD2-CE1 3.42Å; Y6-F221 HydrophobicContact CD2-CZ 4.42Å; Y6-F221 AromaticContact CE1-CE1 3.74Å; Y6-F221 HydrophobicContact CE1-CE1 3.74Å; Y6-F221 AromaticContact CE1-CZ 3.8Å; Y6-F221 HydrophobicContact CE1-CZ 3.8Å; Y6-F221 AromaticContact CE2-CE1 3.79Å; Y6-F221 HydrophobicContact CE2-CE1 3.79Å; Y6-F221 AromaticContact CG-CD1 3.56Å; Y6-F221 HydrophobicContact CG-CD1 3.56Å; Y6-F221 AromaticContact CG-CE1 3.17Å; Y6-F221 HydrophobicContact CG-CE1 3.17Å; Y6-F221 AromaticContact CG-CZ 3.99Å; Y6-F221 HydrophobicContact CG-CZ 3.99Å; Y6-F221 AromaticContact CZ-CE1 3.95Å; I10-F221 HydrophobicContact CD1-CB 4.13Å; L53-F221 HydrophobicContact CD2-CD2 3.93Å; L53-F221 HydrophobicContact CD2-CE2 3.55Å; H56-F221 HydrophobicContact CB-CZ 4.31Å; H56-F221 AromaticContact CE1-CE1 3.51Å; H56-F221 AromaticContact CE1-CZ 3.62Å; H56-F221 AromaticContact CG-CZ 3.73Å; H56-F221 AromaticContact ND1-CE1 3.62Å; H56-F221 AromaticContact ND1-CZ 3.29Å; H56-F221 VanDerWaalsContact ND1-CZ 3.29Å; H56-F221 WeakPolarHBondContact ND1-CZ 3.31Å; S217-F221 VanDerWaalsContact C-CD2 3.45Å; S217-F221 WeakPolarHBondContact O-CD2 3.36Å; S217-F221 WeakPolarHBondContact O-CE2 3.21Å; S217-F221 WeakPolarHBondContact O-CG 3.37Å; S217-F221 PolarHBondContact O-N 3.25Å; L218-F221 PolarHBondContact O-N 2.92Å; K219-F221 VanDerWaalsContact C-N 3.25Å; K219-F221 PolarHBondContact O-N 3.39Å |
| 222 | F | 61.6 | Low | 70.9 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 28% | 0.281 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -118.1 | -13.1 | -177.1 | -69.2 | -76.4 | 0 | 0 | 0 | 113.9 | I10 L162 P163 I164 L218 K219 S220 | I10-F222 HydrophobicContact CD1-CE1 3.99Å; I10-F222 HydrophobicContact CD1-CE2 3.79Å; I10-F222 HydrophobicContact CD1-CZ 3.49Å; I10-F222 VanDerWaalsContact CD1-CZ 3.49Å; I10-F222 HydrophobicContact CG1-CZ 4.18Å; I10-F222 HydrophobicContact CG2-CE1 4Å; I10-F222 HydrophobicContact CG2-CZ 3.76Å; L162-F222 HydrophobicContact CD2-CB 3.3Å; L162-F222 HydrophobicContact CD2-CD2 3.19Å; L162-F222 HydrophobicContact CD2-CE2 4.11Å; L162-F222 HydrophobicContact CD2-CG 3.49Å; L162-F222 VanDerWaalsContact CD2-CG 3.49Å; L162-F222 HydrophobicContact CG-CD2 4.47Å; P163-F222 VanDerWaalsContact CD-CE1 3.44Å; P163-F222 HydrophobicContact CG-CD1 4.28Å; P163-F222 HydrophobicContact CG-CE1 3.37Å; P163-F222 HydrophobicContact CG-CE2 4.41Å; P163-F222 HydrophobicContact CG-CZ 3.44Å; P163-F222 VanDerWaalsContact CG-CZ 3.44Å; I164-F222 HydrophobicContact CD1-CZ 4.28Å; I164-F222 HydrophobicContact CG1-CZ 4.48Å; L218-F222 HydrophobicContact CD2-CE2 4.38Å; L218-F222 WeakPolarHBondContact O-CD2 3.26Å; L218-F222 PolarHBondContact O-N 3.35Å; K219-F222 PolarHBondContact O-N 2.99Å; K219-F222 VanDerWaalsContact O-N 3.11Å; S220-F222 VanDerWaalsContact C-N 3.26Å; S220-F222 PolarHBondContact O-N 3.25Å |
| 223 | E | 60.6 | Low | 70 | Confident | 151 Ų | 151 | 56.8 Ų | 56.8 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -100.3 | 1.4 | 178.3 | -68.2 | 179.6 | -179.9 | 0 | 0 | 113.6 | K219 | K219-E223 WeakPolarHBondContact O-CB 3.39Å; K219-E223 PolarHBondContact O-N 2.55Å |
| 224 | E | 47.8 | Very low | 69.3 | Low | 162 Ų | 162 | 60.7 Ų | 60.7 | 76% | 0.757 | 28% | 0.281 | S | S | * | . | trans | -105.1 | 0 | 169.2 | -70.7 | -174.4 | -171.4 | 0 | 0 | 112.4 |
Retrieved 224 of 224 residues in 609.8 ms
(Link to these results)