| 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 | 46.5 | Very low | 48.7 | Very low | 69 Ų | 69 | 58.8 Ų | 58.8 | 34% | 0.34 | 34% | 0.339 | S | S | . | . | 0 | 143.3 | 0 | -124.7 | -165.7 | -16.4 | 0 | 0 | 109 | I6 D160 A164 A171 | M1-I6 HydrophobicContact CB-CD1 3.22Å; M1-I6 HydrophobicContact CB-CG1 4.19Å; M1-I6 HydrophobicContact CE-CD1 3.6Å; M1-I6 HydrophobicContact CE-CG1 3.93Å; M1-I6 HydrophobicContact CG-CD1 4.46Å; M1-D160 HydrophobicContact CG-CB 4.36Å; M1-A164 HydrophobicContact CE-CB 4.08Å; M1-A164 HydrophobicContact CG-CB 3.7Å; M1-A164 HydrophobicContact SD-CB 3.48Å; M1-A164 WeakPolarHBondContact SD-CB 3.48Å; M1-A171 PolarHBondContact N-O 3.02Å | |||
| 2 | F | 50.2 | Low | 48.7 | Very low | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | trans | -96.6 | 15.6 | -175.9 | -51.7 | -84.1 | 0 | 0 | 0 | 115.1 | R58 L134 L156 D160 A171 R172 | F2-R58 VanDerWaalsContact CB-NH2 3.32Å; F2-R58 HydrophobicContact CD1-CB 3.27Å; F2-R58 HydrophobicContact CD1-CG 4.17Å; F2-R58 HydrophobicContact CE1-CB 3.02Å; F2-R58 HydrophobicContact CE1-CG 4.19Å; F2-R58 HydrophobicContact CG-CB 4.22Å; F2-R58 HydrophobicContact CZ-CB 3.78Å; F2-R58 PolarHBondContact O-NH2 3.48Å; F2-L134 HydrophobicContact CZ-CD2 4.31Å; F2-L156 HydrophobicContact CE2-CD2 4.46Å; F2-D160 VanDerWaalsContact CD2-CG 3.44Å; F2-D160 WeakPolarHBondContact CD2-OD1 3.32Å; F2-D160 WeakPolarHBondContact CD2-OD2 3.01Å; F2-D160 WeakPolarHBondContact CE2-OD1 3.34Å; F2-A171 HydrophobicContact CE2-CB 3.84Å; F2-A171 HydrophobicContact CZ-CB 3.86Å; F2-R172 WeakPolarHBondContact CD1-O 3.45Å; F2-R172 VanDerWaalsContact CE1-C 3.47Å; F2-R172 WeakPolarHBondContact CE1-O 2.98Å | ||
| 3 | S | 49.9 | Very low | 48.8 | Very low | 36 Ų | 36 | 59.8 Ų | 59.8 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -78.4 | 148.2 | 170.8 | 88.7 | 0 | 0 | 0 | 0 | 109.8 | D5 I6 | S3-D5 WeakPolarHBondContact CB-OD2 3.28Å; S3-D5 PolarHBondContact O-N 3.15Å; S3-D5 WeakPolarHBondContact OG-CB 3.39Å; S3-D5 PolarHBondContact OG-N 3.12Å; S3-D5 PolarHBondContact OG-OD2 3.09Å; S3-I6 PolarHBondContact O-N 3.14Å |
| 4 | N | 46.8 | Very low | 49.2 | Very low | 63 Ų | 63 | 66.9 Ų | 66.9 | 34% | 0.337 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.1 | -26.7 | 173.8 | -71 | -21.4 | 0 | 0 | 0 | 111.9 | I6 C7 A8 V86 | N4-I6 PolarHBondContact O-N 3.14Å; N4-C7 CarbonylContact O-C 3.05Å; N4-C7 WeakPolarHBondContact O-CA 3.35Å; N4-C7 PolarHBondContact O-N 3.08Å; N4-A8 VanDerWaalsContact O-CB 3.31Å; N4-A8 WeakPolarHBondContact O-CB 3.14Å; N4-A8 PolarHBondContact O-N 2.78Å; N4-V86 VanDerWaalsContact CG-CG2 3.49Å; N4-V86 WeakPolarHBondContact ND2-CG1 3.47Å; N4-V86 VanDerWaalsContact ND2-CG2 3.25Å; N4-V86 WeakPolarHBondContact ND2-CG2 3.33Å; N4-V86 WeakPolarHBondContact OD1-CG2 3.4Å |
| 5 | D | 51 | Low | 50 | Low | 108 Ų | 108 | 63.3 Ų | 63.3 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -56.3 | -38.1 | -177.4 | -41.6 | -45.3 | 0 | 0 | 0 | 110.6 | S3 A8 E9 | S3-D5 WeakPolarHBondContact CB-OD2 3.28Å; S3-D5 PolarHBondContact O-N 3.15Å; S3-D5 WeakPolarHBondContact OG-CB 3.39Å; S3-D5 PolarHBondContact OG-N 3.12Å; S3-D5 PolarHBondContact OG-OD2 3.09Å; D5-A8 CarbonylContact O-C 3.46Å; D5-A8 PolarHBondContact O-N 2.93Å; D5-A8 VanDerWaalsContact O-N 3.16Å; D5-E9 VanDerWaalsContact O-CG 3.31Å; D5-E9 WeakPolarHBondContact O-CG 3.27Å; D5-E9 PolarHBondContact O-N 2.96Å |
| 6 | I | 51.8 | Low | 50.7 | Low | 24 Ų | 24 | 66.1 Ų | 66.1 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 174.9 | -65.7 | -164 | 0 | 0 | 0 | 112.7 | M1 S3 N4 A8 | M1-I6 HydrophobicContact CB-CD1 3.22Å; M1-I6 HydrophobicContact CB-CG1 4.19Å; M1-I6 HydrophobicContact CE-CD1 3.6Å; M1-I6 HydrophobicContact CE-CG1 3.93Å; M1-I6 HydrophobicContact CG-CD1 4.46Å; S3-I6 PolarHBondContact O-N 3.14Å; N4-I6 PolarHBondContact O-N 3.14Å; I6-A8 PolarHBondContact O-N 2.99Å |
| 7 | C | 51.4 | Low | 51.7 | Low | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.9 | -29.4 | 173 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | N4 G13 C175 | N4-C7 CarbonylContact O-C 3.05Å; N4-C7 WeakPolarHBondContact O-CA 3.35Å; N4-C7 PolarHBondContact O-N 3.08Å; C7-G13 WeakPolarHBondContact O-CA 3.23Å; C7-G13 PolarHBondContact O-N 2.73Å; C7-C175 VanDerWaalsContact CA-SG 3.59Å; C7-C175 HydrophobicContact CB-CB 4.03Å; C7-C175 WeakPolarHBondContact CB-SG 3.25Å; C7-C175 WeakPolarHBondContact SG-CB 3.39Å; C7-C175 CovalentContact SG-SG 2.05Å; C7-C175 PolarHBondContact SG-SG 3.39Å |
| 8 | A | 48.5 | Very low | 52.7 | Low | 73 Ų | 73 | 60.4 Ų | 60.4 | 60% | 0.603 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -84.2 | -21.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N4 D5 I6 L10 | N4-A8 VanDerWaalsContact O-CB 3.31Å; N4-A8 WeakPolarHBondContact O-CB 3.14Å; N4-A8 PolarHBondContact O-N 2.78Å; D5-A8 CarbonylContact O-C 3.46Å; D5-A8 PolarHBondContact O-N 2.93Å; D5-A8 VanDerWaalsContact O-N 3.16Å; I6-A8 PolarHBondContact O-N 2.99Å; A8-L10 PolarHBondContact O-N 2.8Å |
| 9 | E | 46.7 | Very low | 53.8 | Low | 128 Ų | 128 | 59.8 Ų | 59.8 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -11.7 | 170.1 | -84.1 | 170.1 | -152.5 | 0 | 0 | 112.4 | D5 | D5-E9 VanDerWaalsContact O-CG 3.31Å; D5-E9 WeakPolarHBondContact O-CG 3.27Å; D5-E9 PolarHBondContact O-N 2.96Å |
| 10 | L | 46.4 | Very low | 54.8 | Low | 29 Ų | 29 | 57.3 Ų | 57.3 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -121.9 | 139.8 | 178.9 | -68.9 | 161 | 0 | 0 | 0 | 110.5 | A8 N12 G13 P36 Y37 F177 | A8-L10 PolarHBondContact O-N 2.8Å; L10-N12 PolarHBondContact O-N 2.92Å; L10-G13 PolarHBondContact O-N 3.44Å; L10-P36 VanDerWaalsContact CD1-C 3.5Å; L10-P36 HydrophobicContact CD1-CB 3.13Å; L10-P36 WeakPolarHBondContact CD1-O 3.34Å; L10-P36 WeakPolarHBondContact CD2-O 3.41Å; L10-P36 HydrophobicContact CG-CB 4.44Å; L10-Y37 HydrophobicContact CD2-CE1 4.28Å; L10-F177 HydrophobicContact CB-CD1 4.21Å; L10-F177 HydrophobicContact CB-CE1 3.56Å; L10-F177 HydrophobicContact CB-CZ 4.39Å; L10-F177 HydrophobicContact CD1-CD1 4.27Å; L10-F177 HydrophobicContact CD1-CE1 3.31Å; L10-F177 HydrophobicContact CD1-CE2 4.3Å; L10-F177 HydrophobicContact CD1-CZ 3.34Å; L10-F177 HydrophobicContact CG-CE1 4.11Å |
| 11 | P | 46.3 | Very low | 55.7 | Low | 108 Ų | 108 | 57 Ų | 57 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 117.4 | 176.8 | 20 | -26.9 | 0 | 0 | 0 | 110 | ||
| 12 | N | 48.5 | Very low | 57.1 | Low | 116 Ų | 116 | 54.3 Ų | 54.3 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 17.2 | 175.2 | -47 | -59.8 | 0 | 0 | 0 | 117.7 | L10 K14 P178 | L10-N12 PolarHBondContact O-N 2.92Å; N12-K14 PolarHBondContact O-N 2.92Å; N12-P178 HydrophobicContact CB-CG 3.78Å |
| 13 | G | 50 | Low | 58.2 | Low | 15 Ų | 15 | 61.3 Ų | 61.3 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | trans | -67 | 123.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C7 L10 F177 | C7-G13 WeakPolarHBondContact O-CA 3.23Å; C7-G13 PolarHBondContact O-N 2.73Å; L10-G13 PolarHBondContact O-N 3.44Å; G13-F177 VanDerWaalsContact CA-CD1 3.43Å | ||
| 14 | K | 55 | Low | 58.9 | Low | 158 Ų | 158 | 59.8 Ų | 59.8 | 69% | 0.687 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.2 | 174.8 | -67.3 | -173.5 | 178.9 | -176 | 0 | 109.9 | N12 Y16 C175 V176 | N12-K14 PolarHBondContact O-N 2.92Å; K14-Y16 PolarHBondContact O-N 3.3Å; K14-Y16 VanDerWaalsContact O-N 3.11Å; K14-C175 CarbonylContact O-C 3.56Å; K14-C175 VanDerWaalsContact O-CA 3.31Å; K14-C175 WeakPolarHBondContact O-CA 2.73Å; K14-V176 PolarHBondContact N-O 2.96Å; K14-V176 PolarHBondContact O-N 2.84Å |
| 15 | L | 60.7 | Low | 59.8 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 116 | 165 | -165.7 | 76 | 0 | 0 | 0 | 107.8 | A60 A85 V86 A173 | L15-A60 HydrophobicContact CD2-CB 3.56Å; L15-A60 HydrophobicContact CG-CB 3.71Å; L15-A85 HydrophobicContact CD2-CB 4.17Å; L15-V86 HydrophobicContact CB-CG2 3.81Å; L15-V86 HydrophobicContact CD2-CG2 3.61Å; L15-V86 HydrophobicContact CG-CG2 4.34Å; L15-A173 HydrophobicContact CD1-CB 3.78Å |
| 16 | Y | 61.1 | Low | 60.1 | Low | 108 Ų | 108 | 62.9 Ų | 62.9 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | trans | -91.1 | 122.4 | -173.9 | -173.8 | -123.9 | 0 | 0 | 0 | 110.8 | K14 F18 F34 A60 T174 V176 | K14-Y16 PolarHBondContact O-N 3.3Å; K14-Y16 VanDerWaalsContact O-N 3.11Å; Y16-F18 HydrophobicContact CD1-CB 3.82Å; Y16-F18 HydrophobicContact CD1-CD1 4.37Å; Y16-F18 HydrophobicContact CE1-CB 3.4Å; Y16-F18 VanDerWaalsContact CE1-CB 3.4Å; Y16-F18 HydrophobicContact CE1-CG 4.44Å; Y16-F34 AromaticContact CD1-CE1 3.99Å; Y16-F34 HydrophobicContact CD1-CE1 3.99Å; Y16-F34 AromaticContact CD1-CZ 3.74Å; Y16-F34 HydrophobicContact CD1-CZ 3.74Å; Y16-F34 HydrophobicContact CE1-CZ 4.38Å; Y16-A60 WeakPolarHBondContact O-CB 3.37Å; Y16-A60 PolarHBondContact O-N 3.09Å; Y16-T174 WeakPolarHBondContact CB-O 3.27Å; Y16-T174 PolarHBondContact N-O 2.95Å; Y16-T174 PolarHBondContact O-OG1 3.42Å; Y16-V176 HydrophobicContact CD1-CG2 3.69Å; Y16-V176 HydrophobicContact CD2-CB 4.41Å; Y16-V176 HydrophobicContact CD2-CG2 3.67Å; Y16-V176 HydrophobicContact CE1-CG2 4.35Å; Y16-V176 HydrophobicContact CE2-CG2 4.38Å; Y16-V176 HydrophobicContact CG-CB 4.28Å; Y16-V176 HydrophobicContact CG-CG2 3.3Å | ||
| 17 | A | 69 | Low | 60.3 | Low | 18 Ų | 18 | 63.2 Ų | 63.2 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | trans | -92.1 | 114.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108 | N59 A60 W61 H84 | A17-N59 WeakPolarHBondContact CA-OD1 3.25Å; A17-A60 HydrophobicContact CB-CB 3.74Å; A17-W61 VanDerWaalsContact CB-CD1 3.49Å; A17-W61 HydrophobicContact CB-CD2 3.96Å; A17-W61 HydrophobicContact CB-CG 3.86Å; A17-W61 HydrophobicContact CB-CZ2 4.29Å; A17-W61 VanDerWaalsContact CB-NE1 3.32Å; A17-H84 WeakPolarHBondContact CB-CD2 3.29Å | ||
| 18 | F | 68 | Low | 60.3 | Low | 12 Ų | 12 | 64.7 Ų | 64.7 | 5% | 0.053 | 34% | 0.342 | C | S | . | . | trans | -110.6 | 141.5 | 177.6 | 65.2 | -83.9 | 0 | 0 | 0 | 110.2 | Y16 I20 F28 N59 V135 T174 | Y16-F18 HydrophobicContact CD1-CB 3.82Å; Y16-F18 HydrophobicContact CD1-CD1 4.37Å; Y16-F18 HydrophobicContact CE1-CB 3.4Å; Y16-F18 VanDerWaalsContact CE1-CB 3.4Å; Y16-F18 HydrophobicContact CE1-CG 4.44Å; F18-I20 HydrophobicContact CD2-CG1 3.95Å; F18-I20 HydrophobicContact CE2-CD1 4.22Å; F18-I20 HydrophobicContact CE2-CG1 3.94Å; F18-F28 AromaticContact CD1-CE1 3.88Å; F18-F28 HydrophobicContact CD1-CE1 3.88Å; F18-F28 HydrophobicContact CD2-CD1 4.43Å; F18-F28 HydrophobicContact CD2-CE1 4.05Å; F18-F28 HydrophobicContact CE1-CD1 4.49Å; F18-F28 AromaticContact CE1-CE1 3.35Å; F18-F28 HydrophobicContact CE1-CE1 3.35Å; F18-F28 AromaticContact CE1-CZ 3.62Å; F18-F28 HydrophobicContact CE1-CZ 3.62Å; F18-F28 HydrophobicContact CE2-CD1 4.16Å; F18-F28 AromaticContact CE2-CE1 3.52Å; F18-F28 HydrophobicContact CE2-CE1 3.52Å; F18-F28 HydrophobicContact CE2-CE2 4.38Å; F18-F28 AromaticContact CE2-CZ 3.68Å; F18-F28 HydrophobicContact CE2-CZ 3.68Å; F18-F28 HydrophobicContact CG-CE1 4.22Å; F18-F28 HydrophobicContact CZ-CD1 4.22Å; F18-F28 AromaticContact CZ-CE1 3.17Å; F18-F28 HydrophobicContact CZ-CE1 3.17Å; F18-F28 HydrophobicContact CZ-CE2 4.09Å; F18-F28 AromaticContact CZ-CZ 3.1Å; F18-F28 HydrophobicContact CZ-CZ 3.1Å; F18-N59 HydrophobicContact CD1-CB 4.36Å; F18-N59 HydrophobicContact CE1-CB 3.68Å; F18-N59 VanDerWaalsContact CE1-CG 3.43Å; F18-N59 HydrophobicContact CZ-CB 4.01Å; F18-N59 PolarHBondContact N-OD1 2.94Å; F18-N59 VanDerWaalsContact N-OD1 3.11Å; F18-N59 PolarHBondContact O-ND2 3.48Å; F18-V135 HydrophobicContact CZ-CG2 4.42Å; F18-T174 HydrophobicContact CD1-CG2 4.43Å; F18-T174 HydrophobicContact CE1-CG2 3.98Å | ||
| 19 | K | 75.3 | Confident | 60.1 | Low | 49 Ų | 49 | 67 Ų | 67 | 21% | 0.213 | 34% | 0.34 | C | S | . | . | trans | -113.1 | 133.9 | 160.3 | -50 | 178.6 | 176.4 | -175.7 | 0 | 107.4 | D91 I93 Y108 T109 V110 | K19-D91 WeakPolarHBondContact CE-OD2 3.39Å; K19-D91 IonicContact NZ-OD1 3.79Å; K19-D91 PolarHBondContact NZ-OD1 3.46Å; K19-D91 IonicContact NZ-OD2 2.76Å; K19-D91 PolarHBondContact NZ-OD2 2.76Å; K19-I93 HydrophobicContact CD-CD1 3.88Å; K19-I93 HydrophobicContact CD-CG1 4.48Å; K19-I93 HydrophobicContact CG-CD1 4.22Å; K19-Y108 HydrophobicContact CB-CD1 4Å; K19-Y108 HydrophobicContact CB-CG 4.01Å; K19-Y108 HydrophobicContact CD-CG 4.26Å; K19-T109 CarbonylContact C-O 3.53Å; K19-V110 HydrophobicContact CB-CG1 4.44Å; K19-V110 HydrophobicContact CG-CG1 4.12Å | ||
| 20 | I | 73 | Confident | 59.9 | Low | 9 Ų | 9 | 63.3 Ų | 63.3 | 5% | 0.046 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 139.8 | -179.4 | -53.9 | 169.3 | 0 | 0 | 0 | 107.6 | F18 A22 A24 Y26 Y27 Y108 T109 | F18-I20 HydrophobicContact CD2-CG1 3.95Å; F18-I20 HydrophobicContact CE2-CD1 4.22Å; F18-I20 HydrophobicContact CE2-CG1 3.94Å; I20-A22 PolarHBondContact O-N 2.78Å; I20-A24 HydrophobicContact CG2-CB 3.51Å; I20-Y26 HydrophobicContact CG2-CE2 4.42Å; I20-Y27 VanDerWaalsContact CD1-O 3.25Å; I20-Y27 WeakPolarHBondContact CD1-O 3.46Å; I20-Y27 WeakPolarHBondContact CG1-O 3.44Å; I20-Y108 CarbonylContact O-C 3.54Å; I20-Y108 WeakPolarHBondContact O-CA 3.4Å; I20-T109 HydrophobicContact CB-CG2 3.9Å; I20-T109 HydrophobicContact CG2-CG2 4.41Å; I20-T109 PolarHBondContact N-O 3.49Å; I20-T109 PolarHBondContact O-N 3.42Å |
| 21 | P | 73.1 | Confident | 59.6 | Low | 53 Ų | 53 | 65.1 Ų | 65.1 | 34% | 0.344 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 137.4 | 170.2 | -25.5 | 35.5 | 0 | 0 | 0 | 111.4 | N23 A24 N107 | P21-N23 PolarHBondContact O-N 3.35Å; P21-N23 VanDerWaalsContact O-N 3.09Å; P21-A24 HydrophobicContact CB-CB 4.27Å; P21-A24 VanDerWaalsContact O-CB 3.24Å; P21-A24 WeakPolarHBondContact O-CB 3.26Å; P21-A24 PolarHBondContact O-N 2.86Å; P21-N107 CarbonylContact C-O 3.49Å; P21-N107 WeakPolarHBondContact CA-O 3.37Å |
| 22 | A | 77.4 | Confident | 59.3 | Low | 12 Ų | 12 | 62.2 Ų | 62.2 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -41.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I20 P104 G106 N107 | I20-A22 PolarHBondContact O-N 2.78Å; A22-P104 HydrophobicContact CB-CB 4.29Å; A22-P104 HydrophobicContact CB-CG 3.54Å; A22-G106 WeakPolarHBondContact CB-O 3.46Å; A22-N107 PolarHBondContact N-O 2.85Å |
| 23 | N | 71.8 | Confident | 59 | Low | 153 Ų | 153 | 58 Ų | 58 | 82% | 0.818 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 11.2 | -177 | -61.4 | -24.7 | 0 | 0 | 0 | 113.8 | P21 N25 | P21-N23 PolarHBondContact O-N 3.35Å; P21-N23 VanDerWaalsContact O-N 3.09Å; N23-N25 PolarHBondContact O-N 3.43Å |
| 24 | A | 65.9 | Low | 58.9 | Low | 5 Ų | 5 | 57.9 Ų | 57.9 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | trans | -68.1 | 134.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | I20 P21 Y26 K112 | I20-A24 HydrophobicContact CG2-CB 3.51Å; P21-A24 HydrophobicContact CB-CB 4.27Å; P21-A24 VanDerWaalsContact O-CB 3.24Å; P21-A24 WeakPolarHBondContact O-CB 3.26Å; P21-A24 PolarHBondContact O-N 2.86Å; A24-Y26 VanDerWaalsContact C-N 3.32Å; A24-Y26 HydrophobicContact CB-CD1 4.22Å; A24-Y26 HydrophobicContact CB-CD2 3.87Å; A24-Y26 HydrophobicContact CB-CE1 3.85Å; A24-Y26 HydrophobicContact CB-CE2 3.44Å; A24-Y26 VanDerWaalsContact CB-CE2 3.44Å; A24-Y26 HydrophobicContact CB-CG 4.23Å; A24-Y26 VanDerWaalsContact CB-CZ 3.45Å; A24-K112 PolarHBondContact O-NZ 3.07Å | ||
| 25 | N | 64.3 | Low | 58.3 | Low | 159 Ų | 159 | 55.3 Ų | 55.3 | 85% | 0.85 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -92.3 | 2.5 | 169.8 | -68.5 | -18.7 | 0 | 0 | 0 | 112.6 | N23 | N23-N25 PolarHBondContact O-N 3.43Š|
| 26 | Y | 59 | Low | 57.2 | Low | 76 Ų | 76 | 55.8 Ų | 55.8 | 30% | 0.298 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -111.7 | 149.3 | 174.7 | 51.5 | -100.3 | 0 | 0 | 0 | 109.1 | I20 A24 F28 H29 | I20-Y26 HydrophobicContact CG2-CE2 4.42Å; A24-Y26 VanDerWaalsContact C-N 3.32Å; A24-Y26 HydrophobicContact CB-CD1 4.22Å; A24-Y26 HydrophobicContact CB-CD2 3.87Å; A24-Y26 HydrophobicContact CB-CE1 3.85Å; A24-Y26 HydrophobicContact CB-CE2 3.44Å; A24-Y26 VanDerWaalsContact CB-CE2 3.44Å; A24-Y26 HydrophobicContact CB-CG 4.23Å; A24-Y26 VanDerWaalsContact CB-CZ 3.45Å; Y26-F28 VanDerWaalsContact C-N 3.33Å; Y26-H29 HydrophobicContact CD1-CB 4.39Å; Y26-H29 AromaticContact CD1-CD2 3.96Å; Y26-H29 HydrophobicContact CD2-CB 3.75Å; Y26-H29 HydrophobicContact CE1-CB 4.01Å; Y26-H29 AromaticContact CE1-CD2 3.13Å; Y26-H29 WeakPolarHBondContact CE1-CD2 3.32Å; Y26-H29 AromaticContact CE1-CG 3.56Å; Y26-H29 AromaticContact CE1-NE2 3.73Å; Y26-H29 HydrophobicContact CE2-CB 3.34Å; Y26-H29 AromaticContact CE2-CG 3.88Å; Y26-H29 HydrophobicContact CG-CB 4.28Å; Y26-H29 VanDerWaalsContact CZ-CB 3.46Å; Y26-H29 AromaticContact CZ-CD2 3.19Å; Y26-H29 AromaticContact CZ-CG 3.49Å; Y26-H29 VanDerWaalsContact CZ-CG 3.49Å; Y26-H29 PolarHBondContact OH-CD2 2.82Å |
| 27 | Y | 55.4 | Low | 55.9 | Low | 31 Ų | 31 | 56 Ų | 56 | 12% | 0.122 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -75.8 | -28 | 168.1 | -72 | -93.2 | 0 | 0 | 0 | 111.4 | I20 K112 N113 V135 P143 Q148 | I20-Y27 VanDerWaalsContact CD1-O 3.25Å; I20-Y27 WeakPolarHBondContact CD1-O 3.46Å; I20-Y27 WeakPolarHBondContact CG1-O 3.44Å; Y27-K112 HydrophobicContact CE1-CB 4.01Å; Y27-K112 HydrophobicContact CE1-CG 4.49Å; Y27-N113 PolarHBondContact OH-ND2 2.77Å; Y27-V135 HydrophobicContact CD1-CG1 4.2Å; Y27-V135 HydrophobicContact CG-CG1 4.29Å; Y27-P143 HydrophobicContact CD2-CB 3.24Å; Y27-P143 HydrophobicContact CD2-CG 3.89Å; Y27-P143 HydrophobicContact CE2-CB 3.62Å; Y27-P143 HydrophobicContact CE2-CG 4.32Å; Y27-P143 HydrophobicContact CG-CB 4.29Å; Y27-Q148 HydrophobicContact CD1-CG 4.18Å; Y27-Q148 HydrophobicContact CE1-CG 3.88Å |
| 28 | F | 50 | Low | 54.2 | Low | 33 Ų | 33 | 56.7 Ų | 56.7 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -142.9 | 127.2 | 178.8 | -66.7 | -94.9 | 0 | 0 | 0 | 109.8 | F18 Y26 F34 V135 L137 M141 | F18-F28 AromaticContact CD1-CE1 3.88Å; F18-F28 HydrophobicContact CD1-CE1 3.88Å; F18-F28 HydrophobicContact CD2-CD1 4.43Å; F18-F28 HydrophobicContact CD2-CE1 4.05Å; F18-F28 HydrophobicContact CE1-CD1 4.49Å; F18-F28 AromaticContact CE1-CE1 3.35Å; F18-F28 HydrophobicContact CE1-CE1 3.35Å; F18-F28 AromaticContact CE1-CZ 3.62Å; F18-F28 HydrophobicContact CE1-CZ 3.62Å; F18-F28 HydrophobicContact CE2-CD1 4.16Å; F18-F28 AromaticContact CE2-CE1 3.52Å; F18-F28 HydrophobicContact CE2-CE1 3.52Å; F18-F28 HydrophobicContact CE2-CE2 4.38Å; F18-F28 AromaticContact CE2-CZ 3.68Å; F18-F28 HydrophobicContact CE2-CZ 3.68Å; F18-F28 HydrophobicContact CG-CE1 4.22Å; F18-F28 HydrophobicContact CZ-CD1 4.22Å; F18-F28 AromaticContact CZ-CE1 3.17Å; F18-F28 HydrophobicContact CZ-CE1 3.17Å; F18-F28 HydrophobicContact CZ-CE2 4.09Å; F18-F28 AromaticContact CZ-CZ 3.1Å; F18-F28 HydrophobicContact CZ-CZ 3.1Å; Y26-F28 VanDerWaalsContact C-N 3.33Å; F28-F34 HydrophobicContact CE1-CE2 4.28Å; F28-V135 HydrophobicContact CE2-CB 3.73Å; F28-V135 HydrophobicContact CE2-CG1 3.73Å; F28-V135 HydrophobicContact CE2-CG2 3.84Å; F28-V135 HydrophobicContact CZ-CB 4.18Å; F28-V135 HydrophobicContact CZ-CG2 4.06Å; F28-L137 HydrophobicContact CD2-CD1 3.53Å; F28-L137 HydrophobicContact CD2-CD2 4.46Å; F28-L137 HydrophobicContact CE2-CD1 3.58Å; F28-L137 HydrophobicContact CE2-CG 4.48Å; F28-L137 HydrophobicContact CG-CD1 4.41Å; F28-L137 HydrophobicContact CZ-CD1 4.47Å; F28-M141 HydrophobicContact CB-CE 4.27Å |
| 29 | H | 44.3 | Very low | 52.5 | Low | 121 Ų | 121 | 58.6 Ų | 58.6 | 56% | 0.56 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -97.9 | 157.1 | 170.8 | -142.7 | -25.3 | 0 | 0 | 0 | 110.5 | Y26 | Y26-H29 HydrophobicContact CD1-CB 4.39Å; Y26-H29 AromaticContact CD1-CD2 3.96Å; Y26-H29 HydrophobicContact CD2-CB 3.75Å; Y26-H29 HydrophobicContact CE1-CB 4.01Å; Y26-H29 AromaticContact CE1-CD2 3.13Å; Y26-H29 WeakPolarHBondContact CE1-CD2 3.32Å; Y26-H29 AromaticContact CE1-CG 3.56Å; Y26-H29 AromaticContact CE1-NE2 3.73Å; Y26-H29 HydrophobicContact CE2-CB 3.34Å; Y26-H29 AromaticContact CE2-CG 3.88Å; Y26-H29 HydrophobicContact CG-CB 4.28Å; Y26-H29 VanDerWaalsContact CZ-CB 3.46Å; Y26-H29 AromaticContact CZ-CD2 3.19Å; Y26-H29 AromaticContact CZ-CG 3.49Å; Y26-H29 VanDerWaalsContact CZ-CG 3.49Å; Y26-H29 PolarHBondContact OH-CD2 2.82Å |
| 30 | P | 42.4 | Very low | 50.6 | Low | 51 Ų | 51 | 64 Ų | 64 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | S | Bend | -60.9 | 169 | -85.4 | 36.3 | -30.9 | 0 | 0 | 0 | 109.7 | T32 L183 | P30-T32 PolarHBondContact O-N 2.88Å; P30-T32 PolarHBondContact O-OG1 3.36Å; P30-L183 HydrophobicContact CB-CD1 3.98Å; P30-L183 HydrophobicContact CB-CD2 4.32Å; P30-L183 HydrophobicContact CG-CD1 3.57Å; P30-L183 HydrophobicContact CG-CD2 4.23Å; P30-L183 HydrophobicContact CG-CG 4.13Å | |
| 31 | P | 40.1 | Very low | 49 | Very low | 68 Ų | 68 | 66.6 Ų | 66.6 | 44% | 0.442 | 35% | 0.349 | S | S | . | . | trans | -41.4 | 53.8 | -176.6 | -34.4 | 39.1 | 0 | 0 | 0 | 120.2 | F33 M141 | P31-F33 PolarHBondContact O-N 2.97Å; P31-M141 HydrophobicContact CB-CB 4.31Å; P31-M141 HydrophobicContact CB-CE 4.2Å; P31-M141 HydrophobicContact CB-CG 3.74Å; P31-M141 HydrophobicContact CG-CB 3.79Å; P31-M141 HydrophobicContact CG-CG 3.75Å | ||
| 32 | T | 40.2 | Very low | 47.3 | Very low | 46 Ų | 46 | 67 Ų | 67 | 28% | 0.282 | 35% | 0.351 | S | S | . | . | trans | -87.6 | 57.2 | 172.3 | 40.7 | 0 | 0 | 0 | 0 | 106.2 | P30 F34 L180 L183 | P30-T32 PolarHBondContact O-N 2.88Å; P30-T32 PolarHBondContact O-OG1 3.36Å; T32-F34 PolarHBondContact O-N 3.18Å; T32-L180 WeakPolarHBondContact CG2-O 3.42Å; T32-L183 HydrophobicContact CG2-CD2 4.37Å; T32-L183 HydrophobicContact CG2-CG 4.47Å | ||
| 33 | F | 42.4 | Very low | 45.6 | Very low | 28 Ų | 28 | 69.1 Ų | 69.1 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | trans | -67.8 | 104.5 | 167.4 | -83.8 | -39.7 | 0 | 0 | 0 | 109.5 | P31 Y35 Y57 L137 M141 | P31-F33 PolarHBondContact O-N 2.97Å; F33-Y35 PolarHBondContact O-N 3.3Å; F33-Y57 HydrophobicContact CD1-CD1 4.07Å; F33-Y57 AromaticContact CD1-CE1 3.34Å; F33-Y57 HydrophobicContact CD1-CE1 3.34Å; F33-Y57 HydrophobicContact CD1-CE2 4.15Å; F33-Y57 AromaticContact CD1-CZ 3.4Å; F33-Y57 VanDerWaalsContact CD1-CZ 3.4Å; F33-Y57 WeakPolarHBondContact CD1-OH 3.35Å; F33-Y57 WeakPolarHBondContact CD2-OH 3.05Å; F33-Y57 AromaticContact CE1-CD1 3.79Å; F33-Y57 HydrophobicContact CE1-CD1 3.79Å; F33-Y57 AromaticContact CE1-CD2 3.76Å; F33-Y57 HydrophobicContact CE1-CD2 3.76Å; F33-Y57 AromaticContact CE1-CE1 3.25Å; F33-Y57 HydrophobicContact CE1-CE1 3.25Å; F33-Y57 AromaticContact CE1-CE2 3.24Å; F33-Y57 HydrophobicContact CE1-CE2 3.24Å; F33-Y57 HydrophobicContact CE1-CG 4.02Å; F33-Y57 AromaticContact CE1-CZ 2.96Å; F33-Y57 VanDerWaalsContact CE1-OH 3.27Å; F33-Y57 WeakPolarHBondContact CE1-OH 3.28Å; F33-Y57 HydrophobicContact CE2-CE2 4.09Å; F33-Y57 AromaticContact CE2-CZ 3.79Å; F33-Y57 WeakPolarHBondContact CE2-OH 3.42Å; F33-Y57 HydrophobicContact CG-CE1 4.16Å; F33-Y57 AromaticContact CZ-CD2 3.99Å; F33-Y57 HydrophobicContact CZ-CD2 3.99Å; F33-Y57 AromaticContact CZ-CE1 3.94Å; F33-Y57 HydrophobicContact CZ-CE1 3.94Å; F33-Y57 AromaticContact CZ-CE2 3.16Å; F33-Y57 HydrophobicContact CZ-CE2 3.16Å; F33-Y57 AromaticContact CZ-CZ 3.13Å; F33-Y57 WeakPolarHBondContact CZ-OH 3.32Å; F33-L137 HydrophobicContact CE1-CD1 3.42Å; F33-L137 VanDerWaalsContact CE1-CD1 3.42Å; F33-L137 HydrophobicContact CE2-CD1 4.46Å; F33-L137 HydrophobicContact CZ-CB 3.86Å; F33-L137 HydrophobicContact CZ-CD1 3.22Å; F33-L137 HydrophobicContact CZ-CG 4.16Å; F33-M141 HydrophobicContact CD1-CE 3.33Å; F33-M141 HydrophobicContact CD1-SD 4.23Å; F33-M141 HydrophobicContact CD2-CE 3.35Å; F33-M141 HydrophobicContact CD2-CG 3.5Å; F33-M141 HydrophobicContact CD2-SD 3.59Å; F33-M141 VanDerWaalsContact CD2-SD 3.59Å; F33-M141 HydrophobicContact CE1-CE 3.2Å; F33-M141 HydrophobicContact CE1-SD 3.62Å; F33-M141 HydrophobicContact CE2-CB 4.44Å; F33-M141 HydrophobicContact CE2-CE 3.31Å; F33-M141 HydrophobicContact CE2-CG 3.18Å; F33-M141 HydrophobicContact CE2-SD 2.94Å; F33-M141 WeakPolarHBondContact CE2-SD 3.46Å; F33-M141 HydrophobicContact CG-CE 3.41Å; F33-M141 VanDerWaalsContact CG-CE 3.41Å; F33-M141 HydrophobicContact CG-CG 4.5Å; F33-M141 HydrophobicContact CG-SD 4.22Å; F33-M141 HydrophobicContact CZ-CE 3.23Å; F33-M141 HydrophobicContact CZ-CG 3.9Å; F33-M141 HydrophobicContact CZ-SD 2.96Å; F33-M141 WeakPolarHBondContact CZ-SD 3.08Å | ||
| 34 | F | 48.2 | Very low | 44.1 | Very low | 12 Ų | 12 | 66.7 Ų | 66.7 | 5% | 0.053 | 34% | 0.34 | C | S | . | . | 2.2 | 79.1 | 129 | -40.5 | -45.2 | 0 | 0 | 0 | 115 | Y16 F28 T32 Y57 T174 C175 V176 L180 | Y16-F34 AromaticContact CD1-CE1 3.99Å; Y16-F34 HydrophobicContact CD1-CE1 3.99Å; Y16-F34 AromaticContact CD1-CZ 3.74Å; Y16-F34 HydrophobicContact CD1-CZ 3.74Å; Y16-F34 HydrophobicContact CE1-CZ 4.38Å; F28-F34 HydrophobicContact CE1-CE2 4.28Å; T32-F34 PolarHBondContact O-N 3.18Å; F34-Y57 HydrophobicContact CD2-CD1 4.43Å; F34-T174 HydrophobicContact CD2-CG2 3.73Å; F34-T174 HydrophobicContact CE2-CG2 3.57Å; F34-T174 HydrophobicContact CZ-CG2 4.49Å; F34-C175 VanDerWaalsContact CA-O 3.25Å; F34-C175 WeakPolarHBondContact CA-O 3.41Å; F34-C175 WeakPolarHBondContact CB-O 3Å; F34-C175 VanDerWaalsContact CD1-C 3.48Å; F34-C175 WeakPolarHBondContact CD1-O 3.03Å; F34-C175 VanDerWaalsContact CG-O 3.3Å; F34-C175 WeakPolarHBondContact CG-O 3.3Å; F34-V176 HydrophobicContact CD1-CB 4.46Å; F34-V176 HydrophobicContact CD1-CG2 3.7Å; F34-V176 HydrophobicContact CE1-CB 4.4Å; F34-V176 HydrophobicContact CE1-CG2 3.23Å; F34-V176 HydrophobicContact CZ-CG2 4.26Å; F34-L180 HydrophobicContact CD1-CD1 4.36Å | |||
| 35 | Y | 42 | Very low | 43 | Very low | 104 Ų | 104 | 72.6 Ų | 72.6 | 41% | 0.408 | 36% | 0.364 | S | S | . | . | trans | -115.2 | 129.7 | 162.5 | -158.1 | -116.8 | 0 | 0 | 0 | 110.2 | F33 Y37 R172 F177 | F33-Y35 PolarHBondContact O-N 3.3Å; Y35-Y37 WeakPolarHBondContact CD1-O 3.46Å; Y35-Y37 HydrophobicContact CE1-CD2 4.31Å; Y35-Y37 WeakPolarHBondContact CE1-O 3.25Å; Y35-Y37 PolarHBondContact O-N 3.04Å; Y35-R172 VanDerWaalsContact CD2-NH1 3.26Å; Y35-F177 WeakPolarHBondContact O-CD2 3.24Å; Y35-F177 WeakPolarHBondContact O-CE2 3.4Å | ||
| 36 | P | 37.3 | Very low | 42 | Very low | 23 Ų | 23 | 71.6 Ų | 71.6 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -58.9 | -26.9 | 175.9 | 15.4 | -27 | 0 | 0 | 0 | 114.1 | L10 P38 F177 | L10-P36 VanDerWaalsContact CD1-C 3.5Å; L10-P36 HydrophobicContact CD1-CB 3.13Å; L10-P36 WeakPolarHBondContact CD1-O 3.34Å; L10-P36 WeakPolarHBondContact CD2-O 3.41Å; L10-P36 HydrophobicContact CG-CB 4.44Å; P36-P38 WeakPolarHBondContact O-CD 3.33Å; P36-F177 HydrophobicContact CB-CE2 4.35Å; P36-F177 HydrophobicContact CB-CZ 4.1Å |
| 37 | Y | 33.9 | Very low | 41.4 | Very low | 112 Ų | 112 | 68.3 Ų | 68.3 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -122.3 | 91.4 | -174.4 | -61.9 | -79.5 | 0 | 0 | 0 | 111.8 | L10 Y35 G39 | L10-Y37 HydrophobicContact CD2-CE1 4.28Å; Y35-Y37 WeakPolarHBondContact CD1-O 3.46Å; Y35-Y37 HydrophobicContact CE1-CD2 4.31Å; Y35-Y37 WeakPolarHBondContact CE1-O 3.25Å; Y35-Y37 PolarHBondContact O-N 3.04Å; Y37-G39 PolarHBondContact O-N 2.99Å |
| 38 | P | 34 | Very low | 41 | Very low | 34 Ų | 34 | 70.7 Ų | 70.7 | 22% | 0.221 | 36% | 0.363 | C | S | . | . | trans | -68.5 | 73.4 | 179 | 26.7 | -30.1 | 0 | 0 | 0 | 112.7 | P36 F187 E189 | P36-P38 WeakPolarHBondContact O-CD 3.33Å; P38-F187 HydrophobicContact CB-CB 4.49Å; P38-F187 HydrophobicContact CB-CD1 3.73Å; P38-F187 HydrophobicContact CB-CE1 4.39Å; P38-F187 HydrophobicContact CB-CG 4.4Å; P38-F187 HydrophobicContact CG-CD1 3.96Å; P38-F187 HydrophobicContact CG-CE1 4.18Å; P38-E189 WeakPolarHBondContact CD-OE1 3.25Å; P38-E189 HydrophobicContact CG-CG 4.08Å; P38-E189 WeakPolarHBondContact CG-OE1 3.47Å; P38-E189 VanDerWaalsContact O-OE1 3.12Å | ||
| 39 | G | 33 | Very low | 41.2 | Very low | 52 Ų | 52 | 73.3 Ų | 73.3 | 54% | 0.536 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -113.5 | 149.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y37 C41 | Y37-G39 PolarHBondContact O-N 2.99Å; G39-C41 PolarHBondContact O-N 3.33Å |
| 40 | Y | 33.9 | Very low | 41.7 | Very low | 161 Ų | 161 | 75.1 Ų | 75.1 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | trans | -13 | 116.8 | 161.2 | -170.5 | -102.2 | 0 | 0 | 0 | 111.5 | P42 K45 | Y40-P42 VanDerWaalsContact C-CD 3.41Å; Y40-P42 HydrophobicContact CD1-CB 4.46Å; Y40-P42 HydrophobicContact CE1-CB 4.48Å; Y40-P42 WeakPolarHBondContact O-CD 3.31Å; Y40-K45 PolarHBondContact OH-NZ 3.12Å | ||
| 41 | C | 40.2 | Very low | 42.6 | Very low | 65 Ų | 65 | 74.7 Ų | 74.7 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | trans | -91.8 | 87.1 | -177.7 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | G39 Y43 F44 | G39-C41 PolarHBondContact O-N 3.33Å; C41-Y43 PolarHBondContact O-N 3.39Å; C41-Y43 WeakPolarHBondContact SG-CB 3.49Å; C41-F44 HydrophobicContact CB-CD2 3.94Å; C41-F44 HydrophobicContact CB-CE2 4.25Å; C41-F44 WeakPolarHBondContact SG-CD2 3.47Å | ||
| 42 | P | 37.9 | Very low | 43.6 | Very low | 60 Ų | 60 | 77.4 Ų | 77.4 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.5 | -2 | 169.3 | 32.3 | -37.1 | 0 | 0 | 0 | 110.8 | Y40 K45 R46 | Y40-P42 VanDerWaalsContact C-CD 3.41Å; Y40-P42 HydrophobicContact CD1-CB 4.46Å; Y40-P42 HydrophobicContact CE1-CB 4.48Å; Y40-P42 WeakPolarHBondContact O-CD 3.31Å; P42-K45 CarbonylContact O-C 3.43Å; P42-K45 PolarHBondContact O-N 3.28Å; P42-R46 WeakPolarHBondContact O-CB 3.02Å; P42-R46 VanDerWaalsContact O-CG 3.29Å; P42-R46 WeakPolarHBondContact O-CG 3.43Å; P42-R46 PolarHBondContact O-N 2.99Å |
| 43 | Y | 40.5 | Very low | 44.8 | Very low | 58 Ų | 58 | 78.9 Ų | 78.9 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -71.4 | -38.7 | -178.5 | -148.2 | -99.4 | 0 | 0 | 0 | 113 | C41 K45 R46 A47 R53 H55 D139 | C41-Y43 PolarHBondContact O-N 3.39Å; C41-Y43 WeakPolarHBondContact SG-CB 3.49Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 2.94Å; Y43-R46 CarbonylContact O-C 3.5Å; Y43-R46 PolarHBondContact O-N 3.32Å; Y43-R46 VanDerWaalsContact O-N 3.14Å; Y43-A47 WeakPolarHBondContact O-CB 3.35Å; Y43-A47 PolarHBondContact O-N 3.31Å; Y43-R53 VanDerWaalsContact OH-CD 3.23Å; Y43-R53 WeakPolarHBondContact OH-CD 3.46Å; Y43-H55 AromaticContact CE1-CE1 3.73Å; Y43-H55 AromaticContact CE1-NE2 3.62Å; Y43-D139 VanDerWaalsContact CE1-CG 3.5Å; Y43-D139 WeakPolarHBondContact CE1-OD1 3.27Å; Y43-D139 WeakPolarHBondContact CE1-OD2 3.49Å |
| 44 | F | 40.9 | Very low | 46 | Very low | 101 Ų | 101 | 79.8 Ų | 79.8 | 44% | 0.443 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 171.5 | -63.5 | -82.6 | 0 | 0 | 0 | 111.5 | C41 A48 D139 | C41-F44 HydrophobicContact CB-CD2 3.94Å; C41-F44 HydrophobicContact CB-CE2 4.25Å; C41-F44 WeakPolarHBondContact SG-CD2 3.47Å; F44-A48 PolarHBondContact O-N 2.87Å; F44-D139 WeakPolarHBondContact CD1-O 3.29Å; F44-D139 WeakPolarHBondContact CE1-O 3.32Å |
| 45 | K | 43.5 | Very low | 47.1 | Very low | 130 Ų | 130 | 79.5 Ų | 79.5 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.6 | -35.8 | 169.3 | -70.5 | -172.3 | 176.2 | -177.1 | 0 | 112.3 | Y40 P42 Y43 A48 S49 | Y40-K45 PolarHBondContact OH-NZ 3.12Å; P42-K45 CarbonylContact O-C 3.43Å; P42-K45 PolarHBondContact O-N 3.28Å; Y43-K45 VanDerWaalsContact C-N 3.3Å; Y43-K45 PolarHBondContact O-N 2.94Å; K45-A48 WeakPolarHBondContact O-CB 3.43Å; K45-A48 PolarHBondContact O-N 2.85Å; K45-S49 PolarHBondContact O-N 2.89Å; K45-S49 PolarHBondContact O-OG 2.82Å |
| 46 | R | 43.3 | Very low | 48.5 | Very low | 138 Ų | 138 | 77.2 Ų | 77.2 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.6 | -35.5 | 175.5 | -81.7 | 179.7 | 173.9 | -174 | -1.2 | 111.9 | P42 Y43 A48 S49 H50 | P42-R46 WeakPolarHBondContact O-CB 3.02Å; P42-R46 VanDerWaalsContact O-CG 3.29Å; P42-R46 WeakPolarHBondContact O-CG 3.43Å; P42-R46 PolarHBondContact O-N 2.99Å; Y43-R46 CarbonylContact O-C 3.5Å; Y43-R46 PolarHBondContact O-N 3.32Å; Y43-R46 VanDerWaalsContact O-N 3.14Å; R46-A48 PolarHBondContact O-N 3.5Å; R46-S49 CarbonylContact O-C 3.5Å; R46-S49 WeakPolarHBondContact O-CA 3.48Å; R46-S49 PolarHBondContact O-N 3.25Å; R46-H50 PolarHBondContact O-N 2.68Å |
| 47 | A | 45.3 | Very low | 50.3 | Low | 6 Ų | 6 | 76.2 Ų | 76.2 | 5% | 0.05 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61 | -38.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y43 S49 G51 Y52 D139 | Y43-A47 WeakPolarHBondContact O-CB 3.35Å; Y43-A47 PolarHBondContact O-N 3.31Å; A47-S49 PolarHBondContact O-N 3.39Å; A47-G51 CarbonylContact O-C 3.57Å; A47-G51 WeakPolarHBondContact O-CA 3.33Å; A47-G51 PolarHBondContact O-N 2.83Å; A47-G51 VanDerWaalsContact O-N 3.14Å; A47-Y52 HydrophobicContact CB-CD1 3.9Å; A47-Y52 HydrophobicContact CB-CE1 4.18Å; A47-D139 HydrophobicContact CB-CB 3.64Å |
| 48 | A | 47.9 | Very low | 52.4 | Low | 82 Ų | 82 | 71.7 Ų | 71.7 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.5 | -22.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F44 K45 R46 | F44-A48 PolarHBondContact O-N 2.87Å; K45-A48 WeakPolarHBondContact O-CB 3.43Å; K45-A48 PolarHBondContact O-N 2.85Å; R46-A48 PolarHBondContact O-N 3.5Å |
| 49 | S | 53.8 | Low | 54.5 | Low | 88 Ų | 88 | 70.1 Ų | 70.1 | 62% | 0.615 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -101 | -26 | -175.8 | -51.9 | 0 | 0 | 0 | 0 | 114.8 | K45 R46 A47 | K45-S49 PolarHBondContact O-N 2.89Å; K45-S49 PolarHBondContact O-OG 2.82Å; R46-S49 CarbonylContact O-C 3.5Å; R46-S49 WeakPolarHBondContact O-CA 3.48Å; R46-S49 PolarHBondContact O-N 3.25Å; A47-S49 PolarHBondContact O-N 3.39Å |
| 50 | H | 55.2 | Low | 56.8 | Low | 159 Ų | 159 | 67.6 Ų | 67.6 | 74% | 0.736 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -130.4 | 8.5 | -171.3 | -64.3 | -57.7 | 0 | 0 | 0 | 113.8 | R46 | R46-H50 PolarHBondContact O-N 2.68Å |
| 51 | G | 61.3 | Low | 59.3 | Low | 42 Ų | 42 | 60.6 Ų | 60.6 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | trans | 86.3 | 156.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A47 | A47-G51 CarbonylContact O-C 3.57Å; A47-G51 WeakPolarHBondContact O-CA 3.33Å; A47-G51 PolarHBondContact O-N 2.83Å; A47-G51 VanDerWaalsContact O-N 3.14Å | ||
| 52 | Y | 60.8 | Low | 61.8 | Low | 124 Ų | 124 | 57.6 Ų | 57.6 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 128.3 | 179 | -59.5 | -66.6 | 0 | 0 | 0 | 110.8 | A47 W138 D139 N140 | A47-Y52 HydrophobicContact CB-CD1 3.9Å; A47-Y52 HydrophobicContact CB-CE1 4.18Å; Y52-W138 HydrophobicContact CD2-CE3 4.3Å; Y52-W138 HydrophobicContact CD2-CZ3 4.43Å; Y52-W138 HydrophobicContact CG-CE3 4.42Å; Y52-D139 HydrophobicContact CD1-CB 4.33Å; Y52-N140 HydrophobicContact CD1-CB 3.94Å; Y52-N140 HydrophobicContact CE1-CB 3.58Å |
| 53 | R | 65 | Low | 64.5 | Low | 78 Ų | 78 | 54.8 Ų | 54.8 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 153 | 166.7 | -55.4 | -155.2 | -174.6 | -170.2 | -14.8 | 110.5 | Y43 W138 D139 E168 | Y43-R53 VanDerWaalsContact OH-CD 3.23Å; Y43-R53 WeakPolarHBondContact OH-CD 3.46Å; R53-W138 CarbonylContact O-C 3.57Å; R53-W138 WeakPolarHBondContact O-CA 3.45Å; R53-D139 WeakPolarHBondContact CB-OD2 3.3Å; R53-D139 PolarHBondContact N-OD2 2.86Å; R53-D139 PolarHBondContact O-N 2.83Å; R53-D139 VanDerWaalsContact O-OD1 3.12Å; R53-E168 IonicContact CZ-OE1 3.09Å; R53-E168 IonicContact NH1-OE1 3.98Å; R53-E168 PolarHBondContact NH1-OE1 3.29Å; R53-E168 IonicContact NH1-OE2 2.69Å; R53-E168 IonicContact NH2-OE1 2.74Å; R53-E168 PolarHBondContact NH2-OE1 3.14Å; R53-E168 VanDerWaalsContact NH2-OE1 3.09Å |
| 54 | T | 68.4 | Low | 67.2 | Low | 46 Ų | 46 | 52.7 Ų | 52.7 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.1 | 169.8 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | Y136 L137 W147 | T54-Y136 HydrophobicContact CG2-CD1 3.99Å; T54-Y136 HydrophobicContact CG2-CG 4.46Å; T54-L137 CarbonylContact C-O 3.51Å; T54-L137 WeakPolarHBondContact CA-O 3.27Å; T54-W147 HydrophobicContact CG2-CZ3 3.99Å |
| 55 | H | 70 | Confident | 69.9 | Low | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 147.6 | 175.1 | -69.2 | -19.4 | 0 | 0 | 0 | 110.7 | Y43 Y57 Y136 L137 D139 T170 R172 | Y43-H55 AromaticContact CE1-CE1 3.73Å; Y43-H55 AromaticContact CE1-NE2 3.62Å; H55-Y57 HydrophobicContact CB-CD2 4.35Å; H55-Y57 HydrophobicContact CB-CE2 3.46Å; H55-Y57 VanDerWaalsContact CB-CE2 3.46Å; H55-Y136 CarbonylContact O-C 3.56Å; H55-Y136 VanDerWaalsContact O-CA 3.23Å; H55-Y136 WeakPolarHBondContact O-CA 3.34Å; H55-L137 PolarHBondContact N-O 2.78Å; H55-L137 PolarHBondContact O-N 3.07Å; H55-D139 IonicContact CD2-OD1 2.74Å; H55-D139 PolarHBondContact CD2-OD1 3.42Å; H55-D139 IonicContact CE1-OD1 3.88Å; H55-D139 PolarHBondContact CE1-OD1 2.79Å; H55-D139 IonicContact CG-OD1 3.33Å; H55-D139 IonicContact ND1-OD1 2.63Å; H55-D139 IonicContact NE2-OD1 3.36Å; H55-D139 PolarHBondContact NE2-OD1 3.29Å; H55-T170 CarbonylContact C-O 3.5Å; H55-T170 WeakPolarHBondContact CA-O 3.26Å; H55-R172 PolarHBondContact NE2-NH2 3.19Å |
| 56 | K | 73.2 | Confident | 72.5 | Confident | 56 Ų | 56 | 43.7 Ų | 43.7 | 24% | 0.243 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.3 | -179.5 | -46.8 | -175.9 | -169.8 | -175.6 | 0 | 109.1 | Y136 T170 A171 R172 | K56-Y136 HydrophobicContact CD-CD1 4.24Å; K56-Y136 HydrophobicContact CD-CE1 3.54Å; K56-Y136 HydrophobicContact CG-CD1 3.77Å; K56-Y136 HydrophobicContact CG-CE1 3.59Å; K56-Y136 HydrophobicContact CG-CG 4.46Å; K56-T170 PolarHBondContact N-O 2.84Å; K56-A171 HydrophobicContact CB-CB 4.46Å; K56-R172 PolarHBondContact O-N 3.4Å |
| 57 | Y | 74.2 | Confident | 75.1 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137.1 | 177.6 | -63.7 | -90.9 | 0 | 0 | 0 | 109.3 | F33 F34 H55 L134 V135 L137 R172 T174 | F33-Y57 HydrophobicContact CD1-CD1 4.07Å; F33-Y57 AromaticContact CD1-CE1 3.34Å; F33-Y57 HydrophobicContact CD1-CE1 3.34Å; F33-Y57 HydrophobicContact CD1-CE2 4.15Å; F33-Y57 AromaticContact CD1-CZ 3.4Å; F33-Y57 VanDerWaalsContact CD1-CZ 3.4Å; F33-Y57 WeakPolarHBondContact CD1-OH 3.35Å; F33-Y57 WeakPolarHBondContact CD2-OH 3.05Å; F33-Y57 AromaticContact CE1-CD1 3.79Å; F33-Y57 HydrophobicContact CE1-CD1 3.79Å; F33-Y57 AromaticContact CE1-CD2 3.76Å; F33-Y57 HydrophobicContact CE1-CD2 3.76Å; F33-Y57 AromaticContact CE1-CE1 3.25Å; F33-Y57 HydrophobicContact CE1-CE1 3.25Å; F33-Y57 AromaticContact CE1-CE2 3.24Å; F33-Y57 HydrophobicContact CE1-CE2 3.24Å; F33-Y57 HydrophobicContact CE1-CG 4.02Å; F33-Y57 AromaticContact CE1-CZ 2.96Å; F33-Y57 VanDerWaalsContact CE1-OH 3.27Å; F33-Y57 WeakPolarHBondContact CE1-OH 3.28Å; F33-Y57 HydrophobicContact CE2-CE2 4.09Å; F33-Y57 AromaticContact CE2-CZ 3.79Å; F33-Y57 WeakPolarHBondContact CE2-OH 3.42Å; F33-Y57 HydrophobicContact CG-CE1 4.16Å; F33-Y57 AromaticContact CZ-CD2 3.99Å; F33-Y57 HydrophobicContact CZ-CD2 3.99Å; F33-Y57 AromaticContact CZ-CE1 3.94Å; F33-Y57 HydrophobicContact CZ-CE1 3.94Å; F33-Y57 AromaticContact CZ-CE2 3.16Å; F33-Y57 HydrophobicContact CZ-CE2 3.16Å; F33-Y57 AromaticContact CZ-CZ 3.13Å; F33-Y57 WeakPolarHBondContact CZ-OH 3.32Å; F34-Y57 HydrophobicContact CD2-CD1 4.43Å; H55-Y57 HydrophobicContact CB-CD2 4.35Å; H55-Y57 HydrophobicContact CB-CE2 3.46Å; H55-Y57 VanDerWaalsContact CB-CE2 3.46Å; Y57-L134 CarbonylContact O-C 3.58Å; Y57-L134 VanDerWaalsContact O-CA 3.25Å; Y57-L134 WeakPolarHBondContact O-CA 3.41Å; Y57-V135 PolarHBondContact N-O 3.3Å; Y57-V135 PolarHBondContact O-N 3.15Å; Y57-L137 HydrophobicContact CD2-CB 4.32Å; Y57-L137 HydrophobicContact CD2-CD1 3.8Å; Y57-L137 HydrophobicContact CD2-CG 4.24Å; Y57-L137 HydrophobicContact CE2-CB 4.09Å; Y57-L137 HydrophobicContact CE2-CD1 3.99Å; Y57-L137 HydrophobicContact CE2-CG 4.43Å; Y57-R172 HydrophobicContact CD1-CB 4.23Å; Y57-R172 HydrophobicContact CE1-CB 4.1Å; Y57-T174 HydrophobicContact CD1-CG2 4.3Å |
| 58 | R | 77.2 | Confident | 77.5 | Confident | 16 Ų | 16 | 43.9 Ų | 43.9 | 6% | 0.06 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.1 | 176.9 | -173.6 | -173.9 | 83.9 | 179.3 | 1.9 | 109.1 | F2 A132 I133 L134 T174 | F2-R58 VanDerWaalsContact CB-NH2 3.32Å; F2-R58 HydrophobicContact CD1-CB 3.27Å; F2-R58 HydrophobicContact CD1-CG 4.17Å; F2-R58 HydrophobicContact CE1-CB 3.02Å; F2-R58 HydrophobicContact CE1-CG 4.19Å; F2-R58 HydrophobicContact CG-CB 4.22Å; F2-R58 HydrophobicContact CZ-CB 3.78Å; F2-R58 PolarHBondContact O-NH2 3.48Å; R58-A132 HydrophobicContact CG-CB 3.77Å; R58-I133 WeakPolarHBondContact CA-O 3.23Å; R58-L134 HydrophobicContact CB-CD2 3.71Å; R58-L134 HydrophobicContact CG-CD2 3.86Å; R58-T174 PolarHBondContact O-OG1 2.78Å |
| 59 | N | 79.8 | Confident | 79.9 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 144.8 | 171.8 | -160.5 | -20.3 | 0 | 0 | 0 | 110.2 | A17 F18 W61 I133 | A17-N59 WeakPolarHBondContact CA-OD1 3.25Å; F18-N59 HydrophobicContact CD1-CB 4.36Å; F18-N59 HydrophobicContact CE1-CB 3.68Å; F18-N59 VanDerWaalsContact CE1-CG 3.43Å; F18-N59 HydrophobicContact CZ-CB 4.01Å; F18-N59 PolarHBondContact N-OD1 2.94Å; F18-N59 VanDerWaalsContact N-OD1 3.11Å; F18-N59 PolarHBondContact O-ND2 3.48Å; N59-W61 VanDerWaalsContact C-N 3.3Å; N59-W61 PolarHBondContact OD1-N 3.18Å; N59-I133 HydrophobicContact CB-CB 4.17Å; N59-I133 PolarHBondContact N-O 2.89Å |
| 60 | A | 79.7 | Confident | 82 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | -19.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | L15 Y16 A17 L62 A85 | L15-A60 HydrophobicContact CD2-CB 3.56Å; L15-A60 HydrophobicContact CG-CB 3.71Å; Y16-A60 WeakPolarHBondContact O-CB 3.37Å; Y16-A60 PolarHBondContact O-N 3.09Å; A17-A60 HydrophobicContact CB-CB 3.74Å; A60-L62 PolarHBondContact O-N 3.09Å; A60-A85 WeakPolarHBondContact O-CB 3.33Å; A60-A85 PolarHBondContact O-N 3.1Å |
| 61 | W | 87.4 | Confident | 83.9 | Confident | 14 Ų | 14 | 41 Ų | 41 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 117.7 | 166.8 | -73.1 | 121.7 | 0 | 0 | 0 | 109.9 | A17 N59 L82 H84 Q89 D91 | A17-W61 VanDerWaalsContact CB-CD1 3.49Å; A17-W61 HydrophobicContact CB-CD2 3.96Å; A17-W61 HydrophobicContact CB-CG 3.86Å; A17-W61 HydrophobicContact CB-CZ2 4.29Å; A17-W61 VanDerWaalsContact CB-NE1 3.32Å; N59-W61 VanDerWaalsContact C-N 3.3Å; N59-W61 PolarHBondContact OD1-N 3.18Å; W61-L82 HydrophobicContact CB-CD1 4.35Å; W61-L82 HydrophobicContact CD2-CB 4.28Å; W61-L82 HydrophobicContact CD2-CD1 4.33Å; W61-L82 HydrophobicContact CE3-CB 3.66Å; W61-L82 HydrophobicContact CE3-CD1 4.5Å; W61-L82 HydrophobicContact CG-CD1 4.25Å; W61-L82 HydrophobicContact CZ3-CB 4.22Å; W61-H84 HydrophobicContact CE3-CB 4.19Å; W61-H84 HydrophobicContact CH2-CB 4.31Å; W61-H84 HydrophobicContact CZ3-CB 3.87Å; W61-Q89 HydrophobicContact CH2-CG 4.26Å; W61-Q89 WeakPolarHBondContact CZ3-O 3.48Å; W61-D91 HydrophobicContact CE3-CB 4.31Å; W61-D91 HydrophobicContact CH2-CB 3.43Å; W61-D91 VanDerWaalsContact CH2-CB 3.43Å; W61-D91 HydrophobicContact CZ2-CB 4.06Å; W61-D91 HydrophobicContact CZ3-CB 3.56Å |
| 62 | L | 91.4 | Very high | 85.6 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 142.1 | 172.6 | -51 | 177.4 | 0 | 0 | 0 | 109.2 | A60 V64 L82 Q83 A85 P130 L131 A132 F153 | A60-L62 PolarHBondContact O-N 3.09Å; L62-V64 HydrophobicContact CB-CG1 4.48Å; L62-L82 CarbonylContact O-C 3.59Å; L62-L82 WeakPolarHBondContact O-CA 3.24Å; L62-Q83 WeakPolarHBondContact CB-O 3.47Å; L62-Q83 PolarHBondContact N-O 3.43Å; L62-Q83 PolarHBondContact O-N 3.34Å; L62-A85 HydrophobicContact CD1-CB 3.77Å; L62-A85 HydrophobicContact CD2-CB 4.24Å; L62-A85 HydrophobicContact CG-CB 3.95Å; L62-P130 HydrophobicContact CB-CB 4.08Å; L62-P130 HydrophobicContact CD1-CB 3.92Å; L62-P130 HydrophobicContact CD1-CG 4.35Å; L62-L131 CarbonylContact C-O 3.54Å; L62-L131 WeakPolarHBondContact CA-O 3.5Å; L62-A132 HydrophobicContact CD2-CB 4.1Å; L62-F153 HydrophobicContact CD1-CE1 4.39Å; L62-F153 HydrophobicContact CD1-CE2 3.75Å; L62-F153 HydrophobicContact CD1-CZ 3.44Å; L62-F153 VanDerWaalsContact CD1-CZ 3.44Å; L62-F153 HydrophobicContact CD2-CE1 3.68Å; L62-F153 HydrophobicContact CD2-CZ 3.48Å; L62-F153 VanDerWaalsContact CD2-CZ 3.48Å; L62-F153 HydrophobicContact CG-CZ 4.1Å |
| 63 | I | 95.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 120.2 | 171.9 | -58.1 | 163.1 | 0 | 0 | 0 | 107.7 | V66 L80 H81 L82 I111 I120 P125 L131 I133 V150 | I63-V66 HydrophobicContact CG2-CG2 4.44Å; I63-L80 HydrophobicContact CD1-CD1 4.4Å; I63-H81 WeakPolarHBondContact CA-O 3.35Å; I63-L82 HydrophobicContact CG1-CD2 3.81Å; I63-I111 HydrophobicContact CD1-CG2 4.47Å; I63-I120 HydrophobicContact CD1-CD1 3.4Å; I63-I120 VanDerWaalsContact CD1-CD1 3.4Å; I63-I120 HydrophobicContact CD1-CG1 3.81Å; I63-I120 HydrophobicContact CG2-CG2 4.2Å; I63-P125 HydrophobicContact CG2-CB 3.97Å; I63-P125 HydrophobicContact CG2-CG 3.99Å; I63-P125 WeakPolarHBondContact O-CB 3.38Å; I63-L131 HydrophobicContact CB-CB 4.31Å; I63-L131 PolarHBondContact N-O 3.06Å; I63-L131 PolarHBondContact O-N 3.01Å; I63-I133 HydrophobicContact CD1-CD1 3.84Å; I63-I133 HydrophobicContact CD1-CG1 3.73Å; I63-I133 HydrophobicContact CG1-CD1 3.95Å; I63-I133 HydrophobicContact CG1-CG1 4.07Å; I63-V150 HydrophobicContact CD1-CG1 4.1Å |
| 64 | V | 97.2 | Very high | 88.6 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 9% | 0.085 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 4.5 | -176 | -62.8 | 0 | 0 | 0 | 0 | 113.2 | L62 H81 Q83 S126 K127 P130 | L62-V64 HydrophobicContact CB-CG1 4.48Å; V64-H81 HydrophobicContact CG2-CB 3.91Å; V64-H81 PolarHBondContact N-O 2.98Å; V64-Q83 HydrophobicContact CG1-CB 3.7Å; V64-Q83 HydrophobicContact CG2-CB 4.15Å; V64-S126 CarbonylContact O-C 3.38Å; V64-S126 WeakPolarHBondContact O-CA 3.35Å; V64-K127 HydrophobicContact CB-CG 4.3Å; V64-K127 PolarHBondContact O-N 3.19Å; V64-P130 HydrophobicContact CG1-CB 4.05Å |
| 65 | G | 97.9 | Very high | 89.9 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | 159.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H81 | G65-H81 PolarHBondContact O-N 3.27Å |
| 66 | V | 97.9 | Very high | 91.2 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 123.6 | 171.2 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | I63 I78 Q79 L80 I120 Y121 P125 | I63-V66 HydrophobicContact CG2-CG2 4.44Å; V66-I78 HydrophobicContact CG1-CD1 4.33Å; V66-Q79 WeakPolarHBondContact CA-O 3.21Å; V66-L80 HydrophobicContact CB-CD2 4.2Å; V66-L80 HydrophobicContact CG1-CD2 3.92Å; V66-L80 HydrophobicContact CG2-CD2 3.45Å; V66-L80 VanDerWaalsContact CG2-CD2 3.45Å; V66-I120 HydrophobicContact CG2-CG2 3.49Å; V66-I120 VanDerWaalsContact CG2-CG2 3.49Å; V66-Y121 HydrophobicContact CB-CE1 4.09Å; V66-Y121 HydrophobicContact CG1-CD1 4.45Å; V66-Y121 HydrophobicContact CG1-CE1 3.54Å; V66-P125 HydrophobicContact CG2-CG 3.82Å |
| 67 | D | 97.5 | Very high | 92.4 | Very high | 84 Ų | 84 | 44.4 Ų | 44.4 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 147.2 | 170.9 | -65.7 | -29.3 | 0 | 0 | 0 | 110.2 | I78 Q79 H81 | D67-I78 CarbonylContact O-C 3.59Å; D67-I78 VanDerWaalsContact O-CA 3.25Å; D67-I78 WeakPolarHBondContact O-CA 3.46Å; D67-I78 WeakPolarHBondContact O-CB 3.28Å; D67-Q79 PolarHBondContact N-O 3.23Å; D67-Q79 PolarHBondContact O-N 3.49Å; D67-H81 IonicContact OD2-CD2 3.74Å; D67-H81 IonicContact OD2-CE1 2.94Å; D67-H81 IonicContact OD2-NE2 3.11Å; D67-H81 PolarHBondContact OD2-NE2 3.16Å |
| 68 | T | 97 | Very high | 93.5 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.8 | 165.9 | -59 | 0 | 0 | 0 | 0 | 107.4 | E71 K76 | T68-E71 HydrophobicContact CG2-CB 4.02Å; T68-K76 HydrophobicContact CG2-CD 4.37Å; T68-K76 HydrophobicContact CG2-CG 3.93Å; T68-K76 VanDerWaalsContact OG1-CE 3.23Å; T68-K76 WeakPolarHBondContact OG1-CE 3.42Å; T68-K76 PolarHBondContact OG1-NZ 3.25Å |
| 69 | E | 96.9 | Very high | 94.5 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -40.8 | 179.5 | -67.1 | -175.9 | -177.1 | 0 | 0 | 111 | I77 Q79 R94 | E69-I77 HydrophobicContact CB-CB 4.38Å; E69-I77 HydrophobicContact CB-CG2 4.17Å; E69-I77 PolarHBondContact N-O 2.86Å; E69-Q79 HydrophobicContact CG-CB 4.34Å; E69-Q79 PolarHBondContact OE1-OE1 3.22Å; E69-R94 WeakPolarHBondContact OE1-CD 3.43Å; E69-R94 WeakPolarHBondContact OE1-CG 3.33Å; E69-R94 IonicContact OE2-NH1 2.68Å |
| 70 | S | 97.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 44.8 Ų | 44.8 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 149.4 | 176 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | K76 I77 | S70-K76 CarbonylContact O-C 3.2Å; S70-K76 WeakPolarHBondContact O-CA 3.21Å; S70-I77 PolarHBondContact N-O 3.32Å; S70-I77 PolarHBondContact O-N 3.02Å; S70-I77 WeakPolarHBondContact OG-CB 3.13Å; S70-I77 WeakPolarHBondContact OG-CG1 3.41Å |
| 71 | E | 96.7 | Very high | 96.2 | Very high | 126 Ų | 126 | 47.2 Ų | 47.2 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 126.5 | 176.2 | -172.7 | 156.3 | -156.8 | 0 | 0 | 109 | T68 K76 | T68-E71 HydrophobicContact CG2-CB 4.02Å; E71-K76 HydrophobicContact CB-CG 4.25Å; E71-K76 HydrophobicContact CG-CB 4.34Å; E71-K76 HydrophobicContact CG-CD 4.46Å; E71-K76 HydrophobicContact CG-CG 4.16Å; E71-K76 IonicContact OE1-NZ 4Å; E71-K76 PolarHBondContact OE1-NZ 3.49Å; E71-K76 VanDerWaalsContact OE1-NZ 3.12Å; E71-K76 IonicContact OE2-NZ 2.96Å; E71-K76 PolarHBondContact OE2-NZ 3.21Å |
| 72 | T | 95.6 | Very high | 96.6 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | trans | -125.9 | 176 | 174.7 | 67.4 | 0 | 0 | 0 | 0 | 108.1 | N74 E75 | T72-N74 PolarHBondContact O-N 2.78Å; T72-N74 VanDerWaalsContact O-N 3.15Å; T72-N74 PolarHBondContact OG1-N 2.99Å; T72-E75 PolarHBondContact N-O 2.68Å; T72-E75 PolarHBondContact OG1-N 2.97Å; T72-E75 VanDerWaalsContact OG1-N 3.08Å; T72-E75 PolarHBondContact OG1-O 2.98Å | ||
| 73 | S | 93.9 | Very high | 96.7 | Very high | 115 Ų | 115 | 48 Ų | 48 | 80% | 0.804 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -59.9 | -25.4 | 177.8 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 74 | N | 94.9 | Very high | 96.2 | Very high | 122 Ų | 122 | 48.9 Ų | 48.9 | 65% | 0.652 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -118.4 | -16.5 | -169.7 | -58.6 | -12.2 | 0 | 0 | 0 | 113.2 | T72 | T72-N74 PolarHBondContact O-N 2.78Å; T72-N74 VanDerWaalsContact O-N 3.15Å; T72-N74 PolarHBondContact OG1-N 2.99Å |
| 75 | E | 96.6 | Very high | 95.4 | Very high | 46 Ų | 46 | 49 Ų | 49 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | trans | -146.7 | 137.5 | -172.6 | -178 | 175.4 | 85 | 0 | 0 | 110.6 | T72 I77 R96 I97 R98 | T72-E75 PolarHBondContact N-O 2.68Å; T72-E75 PolarHBondContact OG1-N 2.97Å; T72-E75 VanDerWaalsContact OG1-N 3.08Å; T72-E75 PolarHBondContact OG1-O 2.98Å; E75-I77 HydrophobicContact CG-CD1 3.91Å; E75-R96 HydrophobicContact CG-CG 4.04Å; E75-R96 WeakPolarHBondContact OE2-CD 3.43Å; E75-R96 WeakPolarHBondContact OE2-CG 3.46Å; E75-R96 IonicContact OE2-NE 3.64Å; E75-R96 PolarHBondContact OE2-NE 3.29Å; E75-I97 WeakPolarHBondContact CA-O 3.35Å; E75-R98 HydrophobicContact CB-CG 4.38Å; E75-R98 HydrophobicContact CG-CG 4.35Å; E75-R98 IonicContact OE2-CZ 3.12Å; E75-R98 VanDerWaalsContact OE2-CZ 3.27Å; E75-R98 IonicContact OE2-NE 3.27Å; E75-R98 PolarHBondContact OE2-NE 3.34Å; E75-R98 IonicContact OE2-NH2 3.91Å; E75-R98 PolarHBondContact OE2-NH2 2.97Å | ||
| 76 | K | 97.5 | Very high | 94.2 | Very high | 40 Ų | 40 | 51 Ų | 51 | 17% | 0.174 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129.4 | 169.9 | -175.9 | -174.8 | -176.5 | 118 | 0 | 109.6 | T68 S70 E71 I78 I97 | T68-K76 HydrophobicContact CG2-CD 4.37Å; T68-K76 HydrophobicContact CG2-CG 3.93Å; T68-K76 VanDerWaalsContact OG1-CE 3.23Å; T68-K76 WeakPolarHBondContact OG1-CE 3.42Å; T68-K76 PolarHBondContact OG1-NZ 3.25Å; S70-K76 CarbonylContact O-C 3.2Å; S70-K76 WeakPolarHBondContact O-CA 3.21Å; E71-K76 HydrophobicContact CB-CG 4.25Å; E71-K76 HydrophobicContact CG-CB 4.34Å; E71-K76 HydrophobicContact CG-CD 4.46Å; E71-K76 HydrophobicContact CG-CG 4.16Å; E71-K76 IonicContact OE1-NZ 4Å; E71-K76 PolarHBondContact OE1-NZ 3.49Å; E71-K76 VanDerWaalsContact OE1-NZ 3.12Å; E71-K76 IonicContact OE2-NZ 2.96Å; E71-K76 PolarHBondContact OE2-NZ 3.21Å; K76-I78 HydrophobicContact CD-CG2 3.96Å; K76-I78 HydrophobicContact CG-CG2 3.86Å; K76-I97 HydrophobicContact CB-CB 4.22Å; K76-I97 HydrophobicContact CB-CD1 4.45Å; K76-I97 HydrophobicContact CD-CD1 4.12Å; K76-I97 HydrophobicContact CG-CD1 4.41Å; K76-I97 PolarHBondContact N-O 3.12Å; K76-I97 PolarHBondContact O-N 2.99Å |
| 77 | I | 98.1 | Very high | 93.3 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126 | 172 | -54.7 | -50.7 | 0 | 0 | 0 | 108.5 | E69 S70 E75 Y95 R96 I105 | E69-I77 HydrophobicContact CB-CB 4.38Å; E69-I77 HydrophobicContact CB-CG2 4.17Å; E69-I77 PolarHBondContact N-O 2.86Å; S70-I77 PolarHBondContact N-O 3.32Å; S70-I77 PolarHBondContact O-N 3.02Å; S70-I77 WeakPolarHBondContact OG-CB 3.13Å; S70-I77 WeakPolarHBondContact OG-CG1 3.41Å; E75-I77 HydrophobicContact CG-CD1 3.91Å; I77-Y95 WeakPolarHBondContact CA-O 3.37Å; I77-R96 HydrophobicContact CD1-CB 3.66Å; I77-R96 HydrophobicContact CD1-CG 3.79Å; I77-I105 HydrophobicContact CD1-CD1 3.89Å; I77-I105 HydrophobicContact CG2-CD1 3.88Å |
| 78 | I | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 156.6 | 179.8 | 69 | 157.9 | 0 | 0 | 0 | 110.7 | V66 D67 K76 L80 R94 Y95 I97 L117 Y121 | V66-I78 HydrophobicContact CG1-CD1 4.33Å; D67-I78 CarbonylContact O-C 3.59Å; D67-I78 VanDerWaalsContact O-CA 3.25Å; D67-I78 WeakPolarHBondContact O-CA 3.46Å; D67-I78 WeakPolarHBondContact O-CB 3.28Å; K76-I78 HydrophobicContact CD-CG2 3.96Å; K76-I78 HydrophobicContact CG-CG2 3.86Å; I78-L80 HydrophobicContact CD1-CD2 4.21Å; I78-R94 CarbonylContact O-C 3.5Å; I78-R94 VanDerWaalsContact O-CA 3.25Å; I78-R94 WeakPolarHBondContact O-CA 3.35Å; I78-Y95 HydrophobicContact CD1-CD2 4.45Å; I78-Y95 HydrophobicContact CG1-CD2 4.4Å; I78-Y95 PolarHBondContact N-O 3.03Å; I78-Y95 PolarHBondContact O-N 3.01Å; I78-I97 HydrophobicContact CB-CD1 4.49Å; I78-I97 HydrophobicContact CD1-CD1 4.03Å; I78-I97 HydrophobicContact CG1-CD1 3.99Å; I78-I97 HydrophobicContact CG2-CD1 3.68Å; I78-L117 HydrophobicContact CD1-CD1 3.41Å; I78-L117 VanDerWaalsContact CD1-CD1 3.41Å; I78-L117 HydrophobicContact CD1-CD2 3.56Å; I78-L117 HydrophobicContact CD1-CG 4.14Å; I78-Y121 WeakPolarHBondContact CG2-OH 3.28Å |
| 79 | Q | 97.7 | Very high | 92.2 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121.4 | 172.2 | -172.8 | 173.1 | -94.5 | 0 | 0 | 109.8 | V66 D67 E69 H81 M92 R94 | V66-Q79 WeakPolarHBondContact CA-O 3.21Å; D67-Q79 PolarHBondContact N-O 3.23Å; D67-Q79 PolarHBondContact O-N 3.49Å; E69-Q79 HydrophobicContact CG-CB 4.34Å; E69-Q79 PolarHBondContact OE1-OE1 3.22Å; Q79-H81 PolarHBondContact NE2-CE1 3.17Å; Q79-H81 PolarHBondContact NE2-NE2 2.78Å; Q79-M92 HydrophobicContact CG-CB 4.04Å; Q79-M92 HydrophobicContact CG-CG 4.47Å; Q79-M92 VanDerWaalsContact NE2-CE 3.32Å; Q79-R94 HydrophobicContact CB-CG 4.22Å; Q79-R94 HydrophobicContact CG-CG 4.08Å |
| 80 | L | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.8 | 166.4 | -61.8 | -171.1 | 0 | 0 | 0 | 109.3 | I63 V66 I78 M92 I93 Y95 V110 I111 L117 I120 | I63-L80 HydrophobicContact CD1-CD1 4.4Å; V66-L80 HydrophobicContact CB-CD2 4.2Å; V66-L80 HydrophobicContact CG1-CD2 3.92Å; V66-L80 HydrophobicContact CG2-CD2 3.45Å; V66-L80 VanDerWaalsContact CG2-CD2 3.45Å; I78-L80 HydrophobicContact CD1-CD2 4.21Å; L80-M92 VanDerWaalsContact O-CA 3.28Å; L80-M92 WeakPolarHBondContact O-CA 3.37Å; L80-I93 PolarHBondContact N-O 2.99Å; L80-I93 PolarHBondContact O-N 3.07Å; L80-Y95 HydrophobicContact CB-CE2 4.28Å; L80-Y95 HydrophobicContact CD1-CD2 4.2Å; L80-Y95 HydrophobicContact CD1-CE2 3.5Å; L80-Y95 HydrophobicContact CG-CD2 4.02Å; L80-Y95 HydrophobicContact CG-CE2 3.71Å; L80-V110 HydrophobicContact CD1-CG2 4.39Å; L80-I111 HydrophobicContact CD1-CD1 3.64Å; L80-I111 HydrophobicContact CD1-CG1 3.76Å; L80-L117 HydrophobicContact CD2-CD1 4.25Å; L80-I120 HydrophobicContact CD1-CD1 4.45Å |
| 81 | H | 97.9 | Very high | 92 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.1 | 171.6 | -65.4 | -89.6 | 0 | 0 | 0 | 109.6 | I63 V64 G65 D67 Q79 | I63-H81 WeakPolarHBondContact CA-O 3.35Å; V64-H81 HydrophobicContact CG2-CB 3.91Å; V64-H81 PolarHBondContact N-O 2.98Å; G65-H81 PolarHBondContact O-N 3.27Å; D67-H81 IonicContact OD2-CD2 3.74Å; D67-H81 IonicContact OD2-CE1 2.94Å; D67-H81 IonicContact OD2-NE2 3.11Å; D67-H81 PolarHBondContact OD2-NE2 3.16Å; Q79-H81 PolarHBondContact NE2-CE1 3.17Å; Q79-H81 PolarHBondContact NE2-NE2 2.78Å |
| 82 | L | 96 | Very high | 92 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.9 | -177.6 | -54.3 | 177.7 | 0 | 0 | 0 | 110.8 | W61 L62 I63 E90 D91 I93 V110 | W61-L82 HydrophobicContact CB-CD1 4.35Å; W61-L82 HydrophobicContact CD2-CB 4.28Å; W61-L82 HydrophobicContact CD2-CD1 4.33Å; W61-L82 HydrophobicContact CE3-CB 3.66Å; W61-L82 HydrophobicContact CE3-CD1 4.5Å; W61-L82 HydrophobicContact CG-CD1 4.25Å; W61-L82 HydrophobicContact CZ3-CB 4.22Å; L62-L82 CarbonylContact O-C 3.59Å; L62-L82 WeakPolarHBondContact O-CA 3.24Å; I63-L82 HydrophobicContact CG1-CD2 3.81Å; L82-E90 WeakPolarHBondContact O-CA 3.44Å; L82-D91 WeakPolarHBondContact CA-O 3.42Å; L82-D91 HydrophobicContact CB-CB 4.31Å; L82-D91 WeakPolarHBondContact CB-O 3.22Å; L82-D91 PolarHBondContact N-O 3.4Å; L82-D91 PolarHBondContact O-N 2.74Å; L82-I93 HydrophobicContact CD1-CD1 4.02Å; L82-I93 HydrophobicContact CD1-CG1 3.92Å; L82-V110 HydrophobicContact CD1-CG1 3.98Å; L82-V110 HydrophobicContact CD1-CG2 4.18Å; L82-V110 HydrophobicContact CD2-CG2 4.08Å |
| 83 | Q | 92 | Very high | 92 | Very high | 31 Ų | 31 | 53 Ų | 53 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.8 | 167.8 | -170.7 | -177.8 | 78.3 | 0 | 0 | 109.7 | L62 V64 A85 Q89 E90 | L62-Q83 WeakPolarHBondContact CB-O 3.47Å; L62-Q83 PolarHBondContact N-O 3.43Å; L62-Q83 PolarHBondContact O-N 3.34Å; V64-Q83 HydrophobicContact CG1-CB 3.7Å; V64-Q83 HydrophobicContact CG2-CB 4.15Å; Q83-A85 PolarHBondContact O-N 2.91Å; Q83-Q89 CarbonylContact C-O 3.48Å; Q83-Q89 WeakPolarHBondContact CA-O 3.1Å; Q83-E90 HydrophobicContact CG-CG 4.43Å |
| 84 | H | 86.5 | Confident | 92.1 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 123.2 | 175.1 | -172.2 | -64.9 | 0 | 0 | 0 | 109.7 | A17 W61 V86 T87 K88 Q89 | A17-H84 WeakPolarHBondContact CB-CD2 3.29Å; W61-H84 HydrophobicContact CE3-CB 4.19Å; W61-H84 HydrophobicContact CH2-CB 4.31Å; W61-H84 HydrophobicContact CZ3-CB 3.87Å; H84-V86 PolarHBondContact ND1-N 2.98Å; H84-V86 VanDerWaalsContact ND1-N 3.11Å; H84-V86 PolarHBondContact O-N 2.83Å; H84-T87 VanDerWaalsContact CB-OG1 3.27Å; H84-T87 WeakPolarHBondContact CB-OG1 3.25Å; H84-T87 PolarHBondContact ND1-N 3.38Å; H84-T87 VanDerWaalsContact ND1-N 3.17Å; H84-T87 PolarHBondContact ND1-OG1 3.44Å; H84-K88 VanDerWaalsContact O-CA 3.26Å; H84-K88 WeakPolarHBondContact O-CA 3.49Å; H84-K88 PolarHBondContact O-N 3.18Å; H84-Q89 HydrophobicContact CB-CB 4.09Å; H84-Q89 PolarHBondContact N-O 3.19Å |
| 85 | A | 80.1 | Confident | 92.2 | Very high | 16 Ų | 16 | 47 Ų | 47 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -37 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | L15 A60 L62 Q83 K88 | L15-A85 HydrophobicContact CD2-CB 4.17Å; A60-A85 WeakPolarHBondContact O-CB 3.33Å; A60-A85 PolarHBondContact O-N 3.1Å; L62-A85 HydrophobicContact CD1-CB 3.77Å; L62-A85 HydrophobicContact CD2-CB 4.24Å; L62-A85 HydrophobicContact CG-CB 3.95Å; Q83-A85 PolarHBondContact O-N 2.91Å; A85-K88 PolarHBondContact O-NZ 2.77Å |
| 86 | V | 73.5 | Confident | 92.2 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 33% | 0.327 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -68.5 | -178.6 | -170.8 | 0 | 0 | 0 | 0 | 113.3 | N4 L15 H84 K88 | N4-V86 VanDerWaalsContact CG-CG2 3.49Å; N4-V86 WeakPolarHBondContact ND2-CG1 3.47Å; N4-V86 VanDerWaalsContact ND2-CG2 3.25Å; N4-V86 WeakPolarHBondContact ND2-CG2 3.33Å; N4-V86 WeakPolarHBondContact OD1-CG2 3.4Å; L15-V86 HydrophobicContact CB-CG2 3.81Å; L15-V86 HydrophobicContact CD2-CG2 3.61Å; L15-V86 HydrophobicContact CG-CG2 4.34Å; H84-V86 PolarHBondContact ND1-N 2.98Å; H84-V86 VanDerWaalsContact ND1-N 3.11Å; H84-V86 PolarHBondContact O-N 2.83Å; V86-K88 PolarHBondContact O-N 3.27Å; V86-K88 VanDerWaalsContact O-N 3.17Å |
| 87 | T | 77.9 | Confident | 92.2 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 54% | 0.54 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12.5 | -172.5 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | H84 Q89 | H84-T87 VanDerWaalsContact CB-OG1 3.27Å; H84-T87 WeakPolarHBondContact CB-OG1 3.25Å; H84-T87 PolarHBondContact ND1-N 3.38Å; H84-T87 VanDerWaalsContact ND1-N 3.17Å; H84-T87 PolarHBondContact ND1-OG1 3.44Å; T87-Q89 PolarHBondContact O-N 3.5Å; T87-Q89 WeakPolarHBondContact OG1-CB 3.48Å; T87-Q89 PolarHBondContact OG1-N 3.37Å |
| 88 | K | 84.4 | Confident | 92.1 | Very high | 119 Ų | 119 | 52.1 Ų | 52.1 | 52% | 0.517 | 24% | 0.244 | S | C | . | . | trans | 60 | 10 | -172.7 | -49.6 | -53.6 | -174.1 | -175.9 | 0 | 114.1 | H84 A85 V86 E90 | H84-K88 VanDerWaalsContact O-CA 3.26Å; H84-K88 WeakPolarHBondContact O-CA 3.49Å; H84-K88 PolarHBondContact O-N 3.18Å; A85-K88 PolarHBondContact O-NZ 2.77Å; V86-K88 PolarHBondContact O-N 3.27Å; V86-K88 VanDerWaalsContact O-N 3.17Å; K88-E90 PolarHBondContact O-N 2.92Å | ||
| 89 | Q | 87.9 | Confident | 91.9 | Very high | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | trans | -54.8 | 131.9 | 172.4 | -179.6 | -179.7 | -10 | 0 | 0 | 109.4 | W61 Q83 H84 T87 | W61-Q89 HydrophobicContact CH2-CG 4.26Å; W61-Q89 WeakPolarHBondContact CZ3-O 3.48Å; Q83-Q89 CarbonylContact C-O 3.48Å; Q83-Q89 WeakPolarHBondContact CA-O 3.1Å; H84-Q89 HydrophobicContact CB-CB 4.09Å; H84-Q89 PolarHBondContact N-O 3.19Å; T87-Q89 PolarHBondContact O-N 3.5Å; T87-Q89 WeakPolarHBondContact OG1-CB 3.48Å; T87-Q89 PolarHBondContact OG1-N 3.37Å | ||
| 90 | E | 94.6 | Very high | 91.6 | Very high | 111 Ų | 111 | 64.6 Ų | 64.6 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 151.4 | 176.6 | -61.4 | -171.7 | 159.4 | 0 | 0 | 110.5 | L82 Q83 K88 K127 | L82-E90 WeakPolarHBondContact O-CA 3.44Å; Q83-E90 HydrophobicContact CG-CG 4.43Å; K88-E90 PolarHBondContact O-N 2.92Å; E90-K127 VanDerWaalsContact OE1-CE 3.24Å; E90-K127 WeakPolarHBondContact OE1-CE 3.29Å; E90-K127 IonicContact OE1-NZ 2.88Å; E90-K127 PolarHBondContact OE1-NZ 2.8Å |
| 91 | D | 95.3 | Very high | 91.3 | Very high | 47 Ų | 47 | 71.6 Ų | 71.6 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 170.2 | 179.6 | -153.8 | -34.3 | 0 | 0 | 0 | 109.2 | K19 W61 L82 | K19-D91 WeakPolarHBondContact CE-OD2 3.39Å; K19-D91 IonicContact NZ-OD1 3.79Å; K19-D91 PolarHBondContact NZ-OD1 3.46Å; K19-D91 IonicContact NZ-OD2 2.76Å; K19-D91 PolarHBondContact NZ-OD2 2.76Å; W61-D91 HydrophobicContact CE3-CB 4.31Å; W61-D91 HydrophobicContact CH2-CB 3.43Å; W61-D91 VanDerWaalsContact CH2-CB 3.43Å; W61-D91 HydrophobicContact CZ2-CB 4.06Å; W61-D91 HydrophobicContact CZ3-CB 3.56Å; L82-D91 WeakPolarHBondContact CA-O 3.42Å; L82-D91 HydrophobicContact CB-CB 4.31Å; L82-D91 WeakPolarHBondContact CB-O 3.22Å; L82-D91 PolarHBondContact N-O 3.4Å; L82-D91 PolarHBondContact O-N 2.74Å |
| 92 | M | 95.8 | Very high | 91 | Very high | 92 Ų | 92 | 70.1 Ų | 70.1 | 45% | 0.453 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 154.8 | 175.6 | 66.2 | -117.4 | -63.9 | 0 | 0 | 112.5 | Q79 L80 | Q79-M92 HydrophobicContact CG-CB 4.04Å; Q79-M92 HydrophobicContact CG-CG 4.47Å; Q79-M92 VanDerWaalsContact NE2-CE 3.32Å; L80-M92 VanDerWaalsContact O-CA 3.28Å; L80-M92 WeakPolarHBondContact O-CA 3.37Å |
| 93 | I | 95 | Very high | 90.8 | Very high | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127.9 | 169.3 | -57.1 | -173.6 | 0 | 0 | 0 | 108.7 | K19 L80 L82 Y95 Y108 V110 | K19-I93 HydrophobicContact CD-CD1 3.88Å; K19-I93 HydrophobicContact CD-CG1 4.48Å; K19-I93 HydrophobicContact CG-CD1 4.22Å; L80-I93 PolarHBondContact N-O 2.99Å; L80-I93 PolarHBondContact O-N 3.07Å; L82-I93 HydrophobicContact CD1-CD1 4.02Å; L82-I93 HydrophobicContact CD1-CG1 3.92Å; I93-Y95 HydrophobicContact CB-CE2 3.83Å; I93-Y95 HydrophobicContact CG2-CD2 4.17Å; I93-Y95 HydrophobicContact CG2-CE1 4.25Å; I93-Y95 HydrophobicContact CG2-CE2 3.45Å; I93-Y95 VanDerWaalsContact CG2-CE2 3.45Å; I93-Y108 WeakPolarHBondContact CG2-O 3.25Å; I93-V110 HydrophobicContact CD1-CB 4.25Å; I93-V110 HydrophobicContact CD1-CG1 3.66Å; I93-V110 HydrophobicContact CD1-CG2 4.07Å |
| 94 | R | 97 | Very high | 90.8 | Very high | 111 Ų | 111 | 74.1 Ų | 74.1 | 42% | 0.419 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 147.2 | 175.2 | -68.3 | -176.1 | -63.7 | 171.9 | -4.8 | 110.6 | E69 I78 Q79 I105 | E69-R94 WeakPolarHBondContact OE1-CD 3.43Å; E69-R94 WeakPolarHBondContact OE1-CG 3.33Å; E69-R94 IonicContact OE2-NH1 2.68Å; I78-R94 CarbonylContact O-C 3.5Å; I78-R94 VanDerWaalsContact O-CA 3.25Å; I78-R94 WeakPolarHBondContact O-CA 3.35Å; Q79-R94 HydrophobicContact CB-CG 4.22Å; Q79-R94 HydrophobicContact CG-CG 4.08Å; R94-I105 HydrophobicContact CB-CB 4.01Å; R94-I105 HydrophobicContact CB-CD1 4.35Å; R94-I105 PolarHBondContact O-N 2.9Å |
| 95 | Y | 97.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.8 | 175.9 | -60.7 | -96.5 | 0 | 0 | 0 | 110.3 | I77 I78 L80 I93 L102 E103 P104 T109 V110 I111 | I77-Y95 WeakPolarHBondContact CA-O 3.37Å; I78-Y95 HydrophobicContact CD1-CD2 4.45Å; I78-Y95 HydrophobicContact CG1-CD2 4.4Å; I78-Y95 PolarHBondContact N-O 3.03Å; I78-Y95 PolarHBondContact O-N 3.01Å; L80-Y95 HydrophobicContact CB-CE2 4.28Å; L80-Y95 HydrophobicContact CD1-CD2 4.2Å; L80-Y95 HydrophobicContact CD1-CE2 3.5Å; L80-Y95 HydrophobicContact CG-CD2 4.02Å; L80-Y95 HydrophobicContact CG-CE2 3.71Å; I93-Y95 HydrophobicContact CB-CE2 3.83Å; I93-Y95 HydrophobicContact CG2-CD2 4.17Å; I93-Y95 HydrophobicContact CG2-CE1 4.25Å; I93-Y95 HydrophobicContact CG2-CE2 3.45Å; I93-Y95 VanDerWaalsContact CG2-CE2 3.45Å; Y95-L102 HydrophobicContact CD1-CD1 3.88Å; Y95-L102 HydrophobicContact CD1-CD2 3.82Å; Y95-L102 HydrophobicContact CD1-CG 3.6Å; Y95-L102 HydrophobicContact CE1-CD2 4.02Å; Y95-L102 HydrophobicContact CE1-CG 4.27Å; Y95-L102 HydrophobicContact CG-CD1 3.87Å; Y95-L102 HydrophobicContact CG-CD2 4.43Å; Y95-L102 HydrophobicContact CG-CG 4.14Å; Y95-E103 CarbonylContact C-O 3.58Å; Y95-E103 VanDerWaalsContact CA-O 3.26Å; Y95-E103 WeakPolarHBondContact CA-O 3.48Å; Y95-P104 HydrophobicContact CD1-CB 4.08Å; Y95-P104 HydrophobicContact CE1-CB 3.98Å; Y95-T109 VanDerWaalsContact CE1-OG1 3.31Å; Y95-T109 WeakPolarHBondContact CE1-OG1 3.41Å; Y95-T109 PolarHBondContact OH-OG1 3.08Å; Y95-T109 VanDerWaalsContact OH-OG1 3.07Å; Y95-V110 PolarHBondContact OH-N 2.75Å; Y95-I111 HydrophobicContact CE1-CG1 3.9Å; Y95-I111 HydrophobicContact CE2-CG1 4.14Å; Y95-I111 WeakPolarHBondContact OH-CG1 3.44Å; Y95-I111 PolarHBondContact OH-N 3.07Å |
| 96 | R | 96.9 | Very high | 91.7 | Very high | 81 Ų | 81 | 77.2 Ų | 77.2 | 31% | 0.306 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.2 | 163.4 | 175.3 | -176.5 | -70.8 | 128.8 | 4.1 | 108.8 | E75 I77 R98 E103 I105 | E75-R96 HydrophobicContact CG-CG 4.04Å; E75-R96 WeakPolarHBondContact OE2-CD 3.43Å; E75-R96 WeakPolarHBondContact OE2-CG 3.46Å; E75-R96 IonicContact OE2-NE 3.64Å; E75-R96 PolarHBondContact OE2-NE 3.29Å; I77-R96 HydrophobicContact CD1-CB 3.66Å; I77-R96 HydrophobicContact CD1-CG 3.79Å; R96-R98 HydrophobicContact CG-CG 4.24Å; R96-E103 HydrophobicContact CB-CB 4.27Å; R96-E103 PolarHBondContact N-O 2.96Å; R96-E103 IonicContact NH1-OE2 2.98Å; R96-E103 PolarHBondContact O-N 3.09Å; R96-I105 HydrophobicContact CB-CD1 4.02Å; R96-I105 HydrophobicContact CB-CG1 4.09Å |
| 97 | I | 96.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 80.8 Ų | 80.8 | 6% | 0.062 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.1 | 176.6 | -56.6 | 161.8 | 0 | 0 | 0 | 108.3 | E75 K76 I78 K101 L102 Y114 L117 | E75-I97 WeakPolarHBondContact CA-O 3.35Å; K76-I97 HydrophobicContact CB-CB 4.22Å; K76-I97 HydrophobicContact CB-CD1 4.45Å; K76-I97 HydrophobicContact CD-CD1 4.12Å; K76-I97 HydrophobicContact CG-CD1 4.41Å; K76-I97 PolarHBondContact N-O 3.12Å; K76-I97 PolarHBondContact O-N 2.99Å; I78-I97 HydrophobicContact CB-CD1 4.49Å; I78-I97 HydrophobicContact CD1-CD1 4.03Å; I78-I97 HydrophobicContact CG1-CD1 3.99Å; I78-I97 HydrophobicContact CG2-CD1 3.68Å; I97-K101 VanDerWaalsContact CA-O 3.29Å; I97-K101 WeakPolarHBondContact CA-O 3.4Å; I97-L102 HydrophobicContact CD1-CD1 4.29Å; I97-L102 HydrophobicContact CG1-CD1 3.64Å; I97-Y114 HydrophobicContact CD1-CE2 4.38Å; I97-Y114 HydrophobicContact CG2-CD2 3.92Å; I97-Y114 HydrophobicContact CG2-CE2 3.63Å; I97-L117 HydrophobicContact CD1-CD2 3.42Å; I97-L117 VanDerWaalsContact CD1-CD2 3.42Å; I97-L117 HydrophobicContact CG1-CD2 4.22Å |
| 98 | R | 96.5 | Very high | 92.7 | Very high | 116 Ų | 116 | 82.5 Ų | 82.5 | 44% | 0.438 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 128 | 171.1 | -63.5 | -177.2 | -179.8 | -179.4 | 1.9 | 108.7 | E75 R96 K100 K101 | E75-R98 HydrophobicContact CB-CG 4.38Å; E75-R98 HydrophobicContact CG-CG 4.35Å; E75-R98 IonicContact OE2-CZ 3.12Å; E75-R98 VanDerWaalsContact OE2-CZ 3.27Å; E75-R98 IonicContact OE2-NE 3.27Å; E75-R98 PolarHBondContact OE2-NE 3.34Å; E75-R98 IonicContact OE2-NH2 3.91Å; E75-R98 PolarHBondContact OE2-NH2 2.97Å; R96-R98 HydrophobicContact CG-CG 4.24Å; R98-K100 VanDerWaalsContact C-N 3.25Å; R98-K100 PolarHBondContact O-N 2.81Å; R98-K100 VanDerWaalsContact O-N 3.14Å; R98-K101 PolarHBondContact N-O 3.12Å; R98-K101 VanDerWaalsContact N-O 3.14Å; R98-K101 WeakPolarHBondContact O-CA 3.23Å; R98-K101 VanDerWaalsContact O-CB 3.28Å; R98-K101 WeakPolarHBondContact O-CB 3.4Å; R98-K101 PolarHBondContact O-N 3.48Å |
| 99 | D | 93.6 | Very high | 92.8 | Very high | 149 Ų | 149 | 77 Ų | 77 | 80% | 0.797 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 45.4 | 177.5 | -53.9 | -37.7 | 0 | 0 | 0 | 113.9 | K101 | D99-K101 PolarHBondContact O-N 2.76Å; D99-K101 VanDerWaalsContact O-N 3.09Å |
| 100 | K | 91 | Very high | 92.7 | Very high | 141 Ų | 141 | 71.7 Ų | 71.7 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 15.7 | -174.9 | -53.7 | -172.5 | 177.4 | -166 | 0 | 115.3 | R98 Y114 | R98-K100 VanDerWaalsContact C-N 3.25Å; R98-K100 PolarHBondContact O-N 2.81Å; R98-K100 VanDerWaalsContact O-N 3.14Å; K100-Y114 HydrophobicContact CB-CD1 3.68Å; K100-Y114 HydrophobicContact CB-CD2 4.49Å; K100-Y114 HydrophobicContact CB-CE1 3.97Å; K100-Y114 HydrophobicContact CB-CG 3.96Å; K100-Y114 HydrophobicContact CD-CD1 4.17Å; K100-Y114 HydrophobicContact CD-CE1 3.98Å; K100-Y114 HydrophobicContact CG-CD1 3.94Å; K100-Y114 HydrophobicContact CG-CE1 3.71Å; K100-Y114 WeakPolarHBondContact O-CB 3.34Å |
| 101 | K | 92.3 | Very high | 92.4 | Very high | 146 Ų | 146 | 66.5 Ų | 66.5 | 64% | 0.635 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.3 | 166.6 | -63.1 | -179.4 | 179 | 174.4 | 0 | 109.2 | I97 R98 D99 | I97-K101 VanDerWaalsContact CA-O 3.29Å; I97-K101 WeakPolarHBondContact CA-O 3.4Å; R98-K101 PolarHBondContact N-O 3.12Å; R98-K101 VanDerWaalsContact N-O 3.14Å; R98-K101 WeakPolarHBondContact O-CA 3.23Å; R98-K101 VanDerWaalsContact O-CB 3.28Å; R98-K101 WeakPolarHBondContact O-CB 3.4Å; R98-K101 PolarHBondContact O-N 3.48Å; D99-K101 PolarHBondContact O-N 2.76Å; D99-K101 VanDerWaalsContact O-N 3.09Å |
| 102 | L | 90.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 67.8 Ų | 67.8 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 117.3 | -179.9 | -170.4 | 73.1 | 0 | 0 | 0 | 109.5 | Y95 I97 I111 L117 | Y95-L102 HydrophobicContact CD1-CD1 3.88Å; Y95-L102 HydrophobicContact CD1-CD2 3.82Å; Y95-L102 HydrophobicContact CD1-CG 3.6Å; Y95-L102 HydrophobicContact CE1-CD2 4.02Å; Y95-L102 HydrophobicContact CE1-CG 4.27Å; Y95-L102 HydrophobicContact CG-CD1 3.87Å; Y95-L102 HydrophobicContact CG-CD2 4.43Å; Y95-L102 HydrophobicContact CG-CG 4.14Å; I97-L102 HydrophobicContact CD1-CD1 4.29Å; I97-L102 HydrophobicContact CG1-CD1 3.64Å; L102-I111 HydrophobicContact CD2-CD1 3.45Å; L102-I111 VanDerWaalsContact CD2-CD1 3.45Å; L102-I111 HydrophobicContact CD2-CG1 3.67Å; L102-L117 HydrophobicContact CD1-CD2 3.92Å |
| 103 | E | 92.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 65.4 Ų | 65.4 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.8 | 179.2 | -68 | 177.6 | -179 | 0 | 0 | 109.8 | Y95 R96 I105 | Y95-E103 CarbonylContact C-O 3.58Å; Y95-E103 VanDerWaalsContact CA-O 3.26Å; Y95-E103 WeakPolarHBondContact CA-O 3.48Å; R96-E103 HydrophobicContact CB-CB 4.27Å; R96-E103 PolarHBondContact N-O 2.96Å; R96-E103 IonicContact NH1-OE2 2.98Å; R96-E103 PolarHBondContact O-N 3.09Å; E103-I105 PolarHBondContact O-N 3.47Å |
| 104 | P | 92.4 | Very high | 90.9 | Very high | 32 Ų | 32 | 67.7 Ų | 67.7 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 132.9 | 173.6 | 27.5 | -34.5 | 0 | 0 | 0 | 111 | A22 Y95 Y108 | A22-P104 HydrophobicContact CB-CB 4.29Å; A22-P104 HydrophobicContact CB-CG 3.54Å; Y95-P104 HydrophobicContact CD1-CB 4.08Å; Y95-P104 HydrophobicContact CE1-CB 3.98Å; P104-Y108 WeakPolarHBondContact CB-O 3.18Å |
| 105 | I | 94 | Very high | 90.7 | Very high | 50 Ų | 50 | 64.9 Ų | 64.9 | 26% | 0.256 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 104.3 | 170.4 | -63.4 | 166.4 | 0 | 0 | 0 | 107.8 | I77 R94 R96 E103 | I77-I105 HydrophobicContact CD1-CD1 3.89Å; I77-I105 HydrophobicContact CG2-CD1 3.88Å; R94-I105 HydrophobicContact CB-CB 4.01Å; R94-I105 HydrophobicContact CB-CD1 4.35Å; R94-I105 PolarHBondContact O-N 2.9Å; R96-I105 HydrophobicContact CB-CD1 4.02Å; R96-I105 HydrophobicContact CB-CG1 4.09Å; E103-I105 PolarHBondContact O-N 3.47Å |
| 106 | G | 90.5 | Very high | 90.4 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 124.1 | -162.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A22 | A22-G106 WeakPolarHBondContact CB-O 3.46Š|
| 107 | N | 86.6 | Confident | 90.3 | Very high | 129 Ų | 129 | 61 Ų | 61 | 69% | 0.69 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -88.5 | -9.5 | -172.3 | -66.7 | -25.3 | 0 | 0 | 0 | 114.1 | P21 A22 | P21-N107 CarbonylContact C-O 3.49Å; P21-N107 WeakPolarHBondContact CA-O 3.37Å; A22-N107 PolarHBondContact N-O 2.85Å |
| 108 | Y | 85.6 | Confident | 90.1 | Very high | 124 Ų | 124 | 64.6 Ų | 64.6 | 49% | 0.486 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.5 | -167.4 | -63.8 | -69.4 | 0 | 0 | 0 | 112.9 | K19 I20 I93 P104 | K19-Y108 HydrophobicContact CB-CD1 4Å; K19-Y108 HydrophobicContact CB-CG 4.01Å; K19-Y108 HydrophobicContact CD-CG 4.26Å; I20-Y108 CarbonylContact O-C 3.54Å; I20-Y108 WeakPolarHBondContact O-CA 3.4Å; I93-Y108 WeakPolarHBondContact CG2-O 3.25Å; P104-Y108 WeakPolarHBondContact CB-O 3.18Å |
| 109 | T | 87.1 | Confident | 90.1 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154.3 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | K19 I20 Y95 I111 | K19-T109 CarbonylContact C-O 3.53Å; I20-T109 HydrophobicContact CB-CG2 3.9Å; I20-T109 HydrophobicContact CG2-CG2 4.41Å; I20-T109 PolarHBondContact N-O 3.49Å; I20-T109 PolarHBondContact O-N 3.42Å; Y95-T109 VanDerWaalsContact CE1-OG1 3.31Å; Y95-T109 WeakPolarHBondContact CE1-OG1 3.41Å; Y95-T109 PolarHBondContact OH-OG1 3.08Å; Y95-T109 VanDerWaalsContact OH-OG1 3.07Å; T109-I111 PolarHBondContact OG1-N 3.34Å; T109-I111 PolarHBondContact OG1-O 2.78Å |
| 110 | V | 86.2 | Confident | 90.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -116.7 | -19.8 | 166.2 | -67.6 | 0 | 0 | 0 | 0 | 112.5 | K19 L80 L82 I93 Y95 I133 Q148 | K19-V110 HydrophobicContact CB-CG1 4.44Å; K19-V110 HydrophobicContact CG-CG1 4.12Å; L80-V110 HydrophobicContact CD1-CG2 4.39Å; L82-V110 HydrophobicContact CD1-CG1 3.98Å; L82-V110 HydrophobicContact CD1-CG2 4.18Å; L82-V110 HydrophobicContact CD2-CG2 4.08Å; I93-V110 HydrophobicContact CD1-CB 4.25Å; I93-V110 HydrophobicContact CD1-CG1 3.66Å; I93-V110 HydrophobicContact CD1-CG2 4.07Å; Y95-V110 PolarHBondContact OH-N 2.75Å; V110-I133 HydrophobicContact CB-CD1 3.62Å; V110-I133 HydrophobicContact CG1-CD1 4.49Å; V110-I133 HydrophobicContact CG2-CD1 3.66Å; V110-Q148 PolarHBondContact O-NE2 3.12Å |
| 111 | I | 87.2 | Confident | 90.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | -123.3 | 137.6 | 174.4 | 58.7 | 160.5 | 0 | 0 | 0 | 111.8 | I63 L80 Y95 L102 T109 V116 L117 I120 I133 | I63-I111 HydrophobicContact CD1-CG2 4.47Å; L80-I111 HydrophobicContact CD1-CD1 3.64Å; L80-I111 HydrophobicContact CD1-CG1 3.76Å; Y95-I111 HydrophobicContact CE1-CG1 3.9Å; Y95-I111 HydrophobicContact CE2-CG1 4.14Å; Y95-I111 WeakPolarHBondContact OH-CG1 3.44Å; Y95-I111 PolarHBondContact OH-N 3.07Å; L102-I111 HydrophobicContact CD2-CD1 3.45Å; L102-I111 VanDerWaalsContact CD2-CD1 3.45Å; L102-I111 HydrophobicContact CD2-CG1 3.67Å; T109-I111 PolarHBondContact OG1-N 3.34Å; T109-I111 PolarHBondContact OG1-O 2.78Å; I111-V116 HydrophobicContact CB-CB 4.49Å; I111-V116 HydrophobicContact CB-CG1 4.3Å; I111-V116 HydrophobicContact CG2-CB 4.5Å; I111-V116 HydrophobicContact CG2-CG1 3.8Å; I111-L117 HydrophobicContact CD1-CB 4.07Å; I111-L117 HydrophobicContact CD1-CD1 4.33Å; I111-I120 HydrophobicContact CD1-CD1 3.89Å; I111-I120 HydrophobicContact CG2-CD1 4.05Å; I111-I133 HydrophobicContact CG2-CD1 4.35Å | ||
| 112 | K | 79.9 | Confident | 90.6 | Very high | 73 Ų | 73 | 47.7 Ų | 47.7 | 32% | 0.317 | 25% | 0.253 | S | S | . | . | trans | -99.1 | -35.6 | -173.3 | -168.4 | 60.2 | 166.2 | -176.7 | 0 | 113.3 | A24 Y27 | A24-K112 PolarHBondContact O-NZ 3.07Å; Y27-K112 HydrophobicContact CE1-CB 4.01Å; Y27-K112 HydrophobicContact CE1-CG 4.49Å | ||
| 113 | N | 85.1 | Confident | 90.8 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 23% | 0.225 | 26% | 0.259 | C | S | . | . | trans | -121.3 | 151.1 | -169.4 | -53.9 | -49.5 | 0 | 0 | 0 | 111.9 | Y27 T115 V116 | Y27-N113 PolarHBondContact OH-ND2 2.77Å; N113-T115 VanDerWaalsContact C-N 3.31Å; N113-T115 PolarHBondContact O-N 3.28Å; N113-V116 HydrophobicContact CB-CG2 4.16Å; N113-V116 WeakPolarHBondContact O-CB 2.8Å; N113-V116 PolarHBondContact O-N 2.82Å | ||
| 114 | Y | 90.7 | Very high | 90.9 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.6 | -30.5 | 178.6 | -177 | -97.1 | 0 | 0 | 0 | 113.1 | I97 K100 V116 L117 E118 | I97-Y114 HydrophobicContact CD1-CE2 4.38Å; I97-Y114 HydrophobicContact CG2-CD2 3.92Å; I97-Y114 HydrophobicContact CG2-CE2 3.63Å; K100-Y114 HydrophobicContact CB-CD1 3.68Å; K100-Y114 HydrophobicContact CB-CD2 4.49Å; K100-Y114 HydrophobicContact CB-CE1 3.97Å; K100-Y114 HydrophobicContact CB-CG 3.96Å; K100-Y114 HydrophobicContact CD-CD1 4.17Å; K100-Y114 HydrophobicContact CD-CE1 3.98Å; K100-Y114 HydrophobicContact CG-CD1 3.94Å; K100-Y114 HydrophobicContact CG-CE1 3.71Å; K100-Y114 WeakPolarHBondContact O-CB 3.34Å; Y114-V116 PolarHBondContact O-N 2.87Å; Y114-L117 HydrophobicContact CD2-CD2 4.04Å; Y114-L117 HydrophobicContact CE2-CD2 4.06Å; Y114-L117 CarbonylContact O-C 3.57Å; Y114-L117 WeakPolarHBondContact O-CA 3.45Å; Y114-L117 VanDerWaalsContact O-CB 3.27Å; Y114-L117 WeakPolarHBondContact O-CB 3.44Å; Y114-L117 PolarHBondContact O-N 3.11Å; Y114-E118 HydrophobicContact CD1-CG 3.99Å; Y114-E118 HydrophobicContact CE1-CG 3.66Å; Y114-E118 WeakPolarHBondContact CE1-OE1 3Å; Y114-E118 PolarHBondContact O-N 2.97Å |
| 115 | T | 91.1 | Very high | 91.1 | Very high | 51 Ų | 51 | 53.2 Ų | 53.2 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 173.7 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | N113 L117 E118 E119 | N113-T115 VanDerWaalsContact C-N 3.31Å; N113-T115 PolarHBondContact O-N 3.28Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 2.83Å; T115-E118 PolarHBondContact O-N 2.89Å; T115-E119 PolarHBondContact O-N 3.34Å |
| 116 | V | 91.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 173.4 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | I111 N113 Y114 E119 I120 Q148 V150 | I111-V116 HydrophobicContact CB-CB 4.49Å; I111-V116 HydrophobicContact CB-CG1 4.3Å; I111-V116 HydrophobicContact CG2-CB 4.5Å; I111-V116 HydrophobicContact CG2-CG1 3.8Å; N113-V116 HydrophobicContact CB-CG2 4.16Å; N113-V116 WeakPolarHBondContact O-CB 2.8Å; N113-V116 PolarHBondContact O-N 2.82Å; Y114-V116 PolarHBondContact O-N 2.87Å; V116-E119 WeakPolarHBondContact O-CB 3.23Å; V116-E119 PolarHBondContact O-N 2.85Å; V116-I120 HydrophobicContact CG1-CD1 4.3Å; V116-I120 WeakPolarHBondContact O-CD1 3.43Å; V116-I120 VanDerWaalsContact O-CG1 3.24Å; V116-I120 WeakPolarHBondContact O-CG1 3.06Å; V116-I120 PolarHBondContact O-N 3.36Å; V116-Q148 HydrophobicContact CG1-CB 4.07Å; V116-Q148 HydrophobicContact CG2-CB 3.63Å; V116-Q148 WeakPolarHBondContact CG2-O 2.96Å; V116-V150 HydrophobicContact CG1-CG1 4.17Å |
| 117 | L | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 175.7 | 179.1 | 64.3 | 0 | 0 | 0 | 111.7 | I78 L80 I97 L102 I111 Y114 T115 E119 I120 Y121 | I78-L117 HydrophobicContact CD1-CD1 3.41Å; I78-L117 VanDerWaalsContact CD1-CD1 3.41Å; I78-L117 HydrophobicContact CD1-CD2 3.56Å; I78-L117 HydrophobicContact CD1-CG 4.14Å; L80-L117 HydrophobicContact CD2-CD1 4.25Å; I97-L117 HydrophobicContact CD1-CD2 3.42Å; I97-L117 VanDerWaalsContact CD1-CD2 3.42Å; I97-L117 HydrophobicContact CG1-CD2 4.22Å; L102-L117 HydrophobicContact CD1-CD2 3.92Å; I111-L117 HydrophobicContact CD1-CB 4.07Å; I111-L117 HydrophobicContact CD1-CD1 4.33Å; Y114-L117 HydrophobicContact CD2-CD2 4.04Å; Y114-L117 HydrophobicContact CE2-CD2 4.06Å; Y114-L117 CarbonylContact O-C 3.57Å; Y114-L117 WeakPolarHBondContact O-CA 3.45Å; Y114-L117 VanDerWaalsContact O-CB 3.27Å; Y114-L117 WeakPolarHBondContact O-CB 3.44Å; Y114-L117 PolarHBondContact O-N 3.11Å; T115-L117 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 2.83Å; L117-E119 VanDerWaalsContact C-N 3.34Å; L117-I120 WeakPolarHBondContact O-CB 2.94Å; L117-I120 PolarHBondContact O-N 2.93Å; L117-Y121 HydrophobicContact CD1-CD2 4.09Å; L117-Y121 HydrophobicContact CD1-CE2 3.71Å; L117-Y121 HydrophobicContact CD2-CE2 3.89Å; L117-Y121 HydrophobicContact CG-CD2 3.88Å; L117-Y121 HydrophobicContact CG-CE2 3.57Å; L117-Y121 WeakPolarHBondContact O-CD2 3.35Å; L117-Y121 PolarHBondContact O-N 2.9Å |
| 118 | E | 94.4 | Very high | 91.7 | Very high | 86 Ų | 86 | 58 Ų | 58 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 171.9 | -68.1 | 176.9 | 140.3 | 0 | 0 | 111.2 | Y114 T115 I120 Y121 A122 | Y114-E118 HydrophobicContact CD1-CG 3.99Å; Y114-E118 HydrophobicContact CE1-CG 3.66Å; Y114-E118 WeakPolarHBondContact CE1-OE1 3Å; Y114-E118 PolarHBondContact O-N 2.97Å; T115-E118 PolarHBondContact O-N 2.89Å; E118-I120 VanDerWaalsContact C-N 3.28Å; E118-I120 PolarHBondContact O-N 2.74Å; E118-Y121 PolarHBondContact O-N 3.14Å; E118-A122 WeakPolarHBondContact O-CB 3.47Å; E118-A122 PolarHBondContact O-N 2.76Å |
| 119 | E | 94.5 | Very high | 92 | Very high | 43 Ų | 43 | 54.8 Ų | 54.8 | 20% | 0.201 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 173.9 | -77.7 | -167.8 | -149.6 | 0 | 0 | 112.6 | T115 V116 L117 R123 H149 V150 R151 | T115-E119 PolarHBondContact O-N 3.34Å; V116-E119 WeakPolarHBondContact O-CB 3.23Å; V116-E119 PolarHBondContact O-N 2.85Å; L117-E119 VanDerWaalsContact C-N 3.34Å; E119-R123 WeakPolarHBondContact O-CB 3.44Å; E119-R123 WeakPolarHBondContact O-CD 3.33Å; E119-R123 WeakPolarHBondContact O-CG 3.39Å; E119-R123 PolarHBondContact O-N 2.92Å; E119-R123 PolarHBondContact O-NH1 3.42Å; E119-R123 VanDerWaalsContact O-NH1 3.16Å; E119-R123 IonicContact OE2-NH1 3.68Å; E119-H149 IonicContact OE1-CE1 3.58Å; E119-H149 IonicContact OE1-CG 3.84Å; E119-H149 IonicContact OE1-ND1 3.71Å; E119-H149 PolarHBondContact OE1-ND1 2.94Å; E119-H149 IonicContact OE2-ND1 2.73Å; E119-V150 HydrophobicContact CB-CG2 3.51Å; E119-V150 PolarHBondContact OE2-N 3.11Å; E119-R151 IonicContact OE2-NH1 2.92Å; E119-R151 PolarHBondContact OE2-NH1 2.83Å |
| 120 | I | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -51.4 | 176.9 | -70.2 | 158.7 | 0 | 0 | 0 | 110 | I63 V66 L80 I111 V116 L117 E118 A122 R123 K124 P125 L131 V150 | I63-I120 HydrophobicContact CD1-CD1 3.4Å; I63-I120 VanDerWaalsContact CD1-CD1 3.4Å; I63-I120 HydrophobicContact CD1-CG1 3.81Å; I63-I120 HydrophobicContact CG2-CG2 4.2Å; V66-I120 HydrophobicContact CG2-CG2 3.49Å; V66-I120 VanDerWaalsContact CG2-CG2 3.49Å; L80-I120 HydrophobicContact CD1-CD1 4.45Å; I111-I120 HydrophobicContact CD1-CD1 3.89Å; I111-I120 HydrophobicContact CG2-CD1 4.05Å; V116-I120 HydrophobicContact CG1-CD1 4.3Å; V116-I120 WeakPolarHBondContact O-CD1 3.43Å; V116-I120 VanDerWaalsContact O-CG1 3.24Å; V116-I120 WeakPolarHBondContact O-CG1 3.06Å; V116-I120 PolarHBondContact O-N 3.36Å; L117-I120 WeakPolarHBondContact O-CB 2.94Å; L117-I120 PolarHBondContact O-N 2.93Å; E118-I120 VanDerWaalsContact C-N 3.28Å; E118-I120 PolarHBondContact O-N 2.74Å; I120-A122 VanDerWaalsContact C-N 3.32Å; I120-A122 PolarHBondContact O-N 2.8Å; I120-R123 PolarHBondContact O-N 2.89Å; I120-R123 VanDerWaalsContact O-N 3.1Å; I120-K124 PolarHBondContact O-N 3.29Å; I120-P125 HydrophobicContact CG2-CG 3.87Å; I120-P125 VanDerWaalsContact O-CD 3.3Å; I120-P125 WeakPolarHBondContact O-CD 3.16Å; I120-L131 HydrophobicContact CG2-CD1 4.3Å; I120-V150 HydrophobicContact CD1-CG1 4.16Å; I120-V150 HydrophobicContact CG1-CB 4.24Å; I120-V150 HydrophobicContact CG1-CG1 3.66Å; I120-V150 HydrophobicContact CG1-CG2 3.8Å |
| 121 | Y | 96.1 | Very high | 92.7 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 179.2 | -79.3 | -54.3 | 0 | 0 | 0 | 112.2 | V66 I78 L117 E118 R123 K124 | V66-Y121 HydrophobicContact CB-CE1 4.09Å; V66-Y121 HydrophobicContact CG1-CD1 4.45Å; V66-Y121 HydrophobicContact CG1-CE1 3.54Å; I78-Y121 WeakPolarHBondContact CG2-OH 3.28Å; L117-Y121 HydrophobicContact CD1-CD2 4.09Å; L117-Y121 HydrophobicContact CD1-CE2 3.71Å; L117-Y121 HydrophobicContact CD2-CE2 3.89Å; L117-Y121 HydrophobicContact CG-CD2 3.88Å; L117-Y121 HydrophobicContact CG-CE2 3.57Å; L117-Y121 WeakPolarHBondContact O-CD2 3.35Å; L117-Y121 PolarHBondContact O-N 2.9Å; E118-Y121 PolarHBondContact O-N 3.14Å; Y121-R123 PolarHBondContact O-N 2.78Å; Y121-K124 PolarHBondContact O-N 2.8Å |
| 122 | A | 95.6 | Very high | 92.8 | Very high | 77 Ų | 77 | 55.7 Ų | 55.7 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.9 | -28.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | E118 I120 | E118-A122 WeakPolarHBondContact O-CB 3.47Å; E118-A122 PolarHBondContact O-N 2.76Å; I120-A122 VanDerWaalsContact C-N 3.32Å; I120-A122 PolarHBondContact O-N 2.8Å |
| 123 | R | 95.2 | Very high | 93.2 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -95.2 | -7.2 | -175.7 | -74.3 | 172.5 | 174.3 | 70.6 | 3.6 | 114.9 | E119 I120 Y121 N129 L131 V150 | E119-R123 WeakPolarHBondContact O-CB 3.44Å; E119-R123 WeakPolarHBondContact O-CD 3.33Å; E119-R123 WeakPolarHBondContact O-CG 3.39Å; E119-R123 PolarHBondContact O-N 2.92Å; E119-R123 PolarHBondContact O-NH1 3.42Å; E119-R123 VanDerWaalsContact O-NH1 3.16Å; E119-R123 IonicContact OE2-NH1 3.68Å; I120-R123 PolarHBondContact O-N 2.89Å; I120-R123 VanDerWaalsContact O-N 3.1Å; Y121-R123 PolarHBondContact O-N 2.78Å; R123-N129 PolarHBondContact O-ND2 3.29Å; R123-N129 VanDerWaalsContact O-ND2 3.09Å; R123-L131 HydrophobicContact CB-CD1 3.66Å; R123-L131 HydrophobicContact CB-CD2 3.86Å; R123-L131 HydrophobicContact CB-CG 4.41Å; R123-V150 PolarHBondContact NE-O 3.2Å |
| 124 | K | 94.9 | Very high | 93.1 | Very high | 168 Ų | 168 | 50.3 Ų | 50.3 | 73% | 0.73 | 26% | 0.255 | S | S | * | . | trans | 49.7 | 68.9 | 174.4 | -57.2 | 179.5 | -177 | 179.9 | 0 | 112.2 | I120 Y121 N129 | I120-K124 PolarHBondContact O-N 3.29Å; Y121-K124 PolarHBondContact O-N 2.8Å; K124-N129 PolarHBondContact O-ND2 2.53Å | ||
| 125 | P | 96.7 | Very high | 92.5 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | trans | -60.2 | 140 | 179.6 | 26.3 | -35.2 | 0 | 0 | 0 | 111.1 | I63 V66 I120 N129 L131 | I63-P125 HydrophobicContact CG2-CB 3.97Å; I63-P125 HydrophobicContact CG2-CG 3.99Å; I63-P125 WeakPolarHBondContact O-CB 3.38Å; V66-P125 HydrophobicContact CG2-CG 3.82Å; I120-P125 HydrophobicContact CG2-CG 3.87Å; I120-P125 VanDerWaalsContact O-CD 3.3Å; I120-P125 WeakPolarHBondContact O-CD 3.16Å; P125-N129 WeakPolarHBondContact CA-O 3.47Å; P125-L131 HydrophobicContact CB-CD1 3.78Å; P125-L131 HydrophobicContact CB-CG 3.86Å; P125-L131 HydrophobicContact CG-CD1 4.15Å | ||
| 126 | S | 96.3 | Very high | 91.8 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | trans | -144.9 | 174.4 | 170.6 | 73.8 | 0 | 0 | 0 | 0 | 109.8 | V64 D128 N129 P130 | V64-S126 CarbonylContact O-C 3.38Å; V64-S126 WeakPolarHBondContact O-CA 3.35Å; S126-D128 PolarHBondContact O-N 2.63Å; S126-D128 PolarHBondContact OG-N 3.26Å; S126-N129 PolarHBondContact N-O 2.94Å; S126-N129 VanDerWaalsContact N-O 3.11Å; S126-N129 CarbonylContact O-C 3.47Å; S126-N129 PolarHBondContact O-N 2.74Å; S126-N129 PolarHBondContact OG-N 2.86Å; S126-P130 WeakPolarHBondContact O-CA 3.49Å; S126-P130 VanDerWaalsContact O-N 3.15Å | ||
| 127 | K | 93.7 | Very high | 90.7 | Very high | 126 Ų | 126 | 46.8 Ų | 46.8 | 55% | 0.548 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -60.7 | -32.2 | 171.1 | -71.6 | -173.4 | 171.7 | -171.9 | 0 | 112.3 | V64 E90 | V64-K127 HydrophobicContact CB-CG 4.3Å; V64-K127 PolarHBondContact O-N 3.19Å; E90-K127 VanDerWaalsContact OE1-CE 3.24Å; E90-K127 WeakPolarHBondContact OE1-CE 3.29Å; E90-K127 IonicContact OE1-NZ 2.88Å; E90-K127 PolarHBondContact OE1-NZ 2.8Å |
| 128 | D | 93.4 | Very high | 89.2 | Confident | 160 Ų | 160 | 50.6 Ų | 50.6 | 86% | 0.856 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -84.2 | -20.7 | 177.2 | -57.7 | -39.7 | 0 | 0 | 0 | 112.9 | S126 P130 | S126-D128 PolarHBondContact O-N 2.63Å; S126-D128 PolarHBondContact OG-N 3.26Å; D128-P130 VanDerWaalsContact C-CD 3.47Å |
| 129 | N | 93.2 | Very high | 87.5 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -128 | 67.6 | 176.6 | -176.8 | 39.8 | 0 | 0 | 0 | 111.1 | R123 K124 P125 S126 T152 | R123-N129 PolarHBondContact O-ND2 3.29Å; R123-N129 VanDerWaalsContact O-ND2 3.09Å; K124-N129 PolarHBondContact O-ND2 2.53Å; P125-N129 WeakPolarHBondContact CA-O 3.47Å; S126-N129 PolarHBondContact N-O 2.94Å; S126-N129 VanDerWaalsContact N-O 3.11Å; S126-N129 CarbonylContact O-C 3.47Å; S126-N129 PolarHBondContact O-N 2.74Å; S126-N129 PolarHBondContact OG-N 2.86Å; N129-T152 WeakPolarHBondContact OD1-CG2 3.49Å |
| 130 | P | 93.3 | Very high | 85.6 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 16% | 0.156 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 139.6 | -179.5 | 29.1 | -35.3 | 0 | 0 | 0 | 111.1 | L62 V64 S126 D128 F153 | L62-P130 HydrophobicContact CB-CB 4.08Å; L62-P130 HydrophobicContact CD1-CB 3.92Å; L62-P130 HydrophobicContact CD1-CG 4.35Å; V64-P130 HydrophobicContact CG1-CB 4.05Å; S126-P130 WeakPolarHBondContact O-CA 3.49Å; S126-P130 VanDerWaalsContact O-N 3.15Å; D128-P130 VanDerWaalsContact C-CD 3.47Å; P130-F153 HydrophobicContact CG-CD2 4.34Å; P130-F153 HydrophobicContact CG-CE2 4.41Å |
| 131 | L | 94.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.3 | 175.8 | -56.3 | -179.4 | 0 | 0 | 0 | 110.9 | L62 I63 I120 R123 P125 V150 T152 | L62-L131 CarbonylContact C-O 3.54Å; L62-L131 WeakPolarHBondContact CA-O 3.5Å; I63-L131 HydrophobicContact CB-CB 4.31Å; I63-L131 PolarHBondContact N-O 3.06Å; I63-L131 PolarHBondContact O-N 3.01Å; I120-L131 HydrophobicContact CG2-CD1 4.3Å; R123-L131 HydrophobicContact CB-CD1 3.66Å; R123-L131 HydrophobicContact CB-CD2 3.86Å; R123-L131 HydrophobicContact CB-CG 4.41Å; P125-L131 HydrophobicContact CB-CD1 3.78Å; P125-L131 HydrophobicContact CB-CG 3.86Å; P125-L131 HydrophobicContact CG-CD1 4.15Å; L131-V150 HydrophobicContact CB-CB 4.28Å; L131-V150 HydrophobicContact CD1-CB 4.44Å; L131-V150 HydrophobicContact CD1-CG2 4.4Å; L131-T152 HydrophobicContact CD2-CG2 3.67Å |
| 132 | A | 89.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 130.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R58 L62 V150 R151 F153 L156 | R58-A132 HydrophobicContact CG-CB 3.77Å; L62-A132 HydrophobicContact CD2-CB 4.1Å; A132-V150 WeakPolarHBondContact O-CA 3.37Å; A132-R151 WeakPolarHBondContact CB-O 3.47Å; A132-R151 PolarHBondContact N-O 3.48Å; A132-R151 PolarHBondContact O-N 3.35Å; A132-R151 VanDerWaalsContact O-N 3.07Å; A132-F153 HydrophobicContact CB-CD1 4.15Å; A132-F153 HydrophobicContact CB-CE1 3.85Å; A132-L156 HydrophobicContact CB-CD1 3.74Å |
| 133 | I | 87 | Confident | 79.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.1 | 174.8 | -53.9 | 170.9 | 0 | 0 | 0 | 108.4 | R58 N59 I63 V110 I111 Q148 V150 | R58-I133 WeakPolarHBondContact CA-O 3.23Å; N59-I133 HydrophobicContact CB-CB 4.17Å; N59-I133 PolarHBondContact N-O 2.89Å; I63-I133 HydrophobicContact CD1-CD1 3.84Å; I63-I133 HydrophobicContact CD1-CG1 3.73Å; I63-I133 HydrophobicContact CG1-CD1 3.95Å; I63-I133 HydrophobicContact CG1-CG1 4.07Å; V110-I133 HydrophobicContact CB-CD1 3.62Å; V110-I133 HydrophobicContact CG1-CD1 4.49Å; V110-I133 HydrophobicContact CG2-CD1 3.66Å; I111-I133 HydrophobicContact CG2-CD1 4.35Å; I133-Q148 HydrophobicContact CG2-CG 4.42Å; I133-V150 HydrophobicContact CG1-CG1 4.44Å |
| 134 | L | 83.6 | Confident | 77.3 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.1 | 175.6 | -58.5 | 176.5 | 0 | 0 | 0 | 110 | F2 Y57 R58 Y136 Q148 H149 R151 L156 | F2-L134 HydrophobicContact CZ-CD2 4.31Å; Y57-L134 CarbonylContact O-C 3.58Å; Y57-L134 VanDerWaalsContact O-CA 3.25Å; Y57-L134 WeakPolarHBondContact O-CA 3.41Å; R58-L134 HydrophobicContact CB-CD2 3.71Å; R58-L134 HydrophobicContact CG-CD2 3.86Å; L134-Y136 HydrophobicContact CB-CD2 4.44Å; L134-Y136 HydrophobicContact CB-CE2 3.87Å; L134-Y136 HydrophobicContact CD1-CE2 4.28Å; L134-Q148 VanDerWaalsContact O-CA 3.27Å; L134-Q148 WeakPolarHBondContact O-CA 3Å; L134-H149 HydrophobicContact CB-CB 4.42Å; L134-H149 PolarHBondContact N-O 2.84Å; L134-H149 PolarHBondContact O-N 2.94Å; L134-R151 HydrophobicContact CD1-CB 4.03Å; L134-R151 HydrophobicContact CD1-CG 3.48Å; L134-R151 VanDerWaalsContact CD1-CG 3.48Å; L134-L156 HydrophobicContact CD1-CD2 3.83Å; L134-L156 HydrophobicContact CD2-CD1 4.16Å; L134-L156 HydrophobicContact CD2-CD2 4.13Å |
| 135 | V | 79.1 | Confident | 75.1 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.6 | 167.1 | -168.3 | 0 | 0 | 0 | 0 | 108.5 | F18 Y27 F28 Y57 L137 Q148 | F18-V135 HydrophobicContact CZ-CG2 4.42Å; Y27-V135 HydrophobicContact CD1-CG1 4.2Å; Y27-V135 HydrophobicContact CG-CG1 4.29Å; F28-V135 HydrophobicContact CE2-CB 3.73Å; F28-V135 HydrophobicContact CE2-CG1 3.73Å; F28-V135 HydrophobicContact CE2-CG2 3.84Å; F28-V135 HydrophobicContact CZ-CB 4.18Å; F28-V135 HydrophobicContact CZ-CG2 4.06Å; Y57-V135 PolarHBondContact N-O 3.3Å; Y57-V135 PolarHBondContact O-N 3.15Å; V135-L137 HydrophobicContact CG1-CD2 4.05Å; V135-L137 HydrophobicContact CG1-CG 4.1Å; V135-Q148 HydrophobicContact CG2-CG 3.96Å |
| 136 | Y | 75.6 | Confident | 73.2 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 13% | 0.125 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 129.2 | 177.8 | -67.9 | -118.8 | 0 | 0 | 0 | 108.6 | T54 H55 K56 L134 W147 H149 | T54-Y136 HydrophobicContact CG2-CD1 3.99Å; T54-Y136 HydrophobicContact CG2-CG 4.46Å; H55-Y136 CarbonylContact O-C 3.56Å; H55-Y136 VanDerWaalsContact O-CA 3.23Å; H55-Y136 WeakPolarHBondContact O-CA 3.34Å; K56-Y136 HydrophobicContact CD-CD1 4.24Å; K56-Y136 HydrophobicContact CD-CE1 3.54Å; K56-Y136 HydrophobicContact CG-CD1 3.77Å; K56-Y136 HydrophobicContact CG-CE1 3.59Å; K56-Y136 HydrophobicContact CG-CG 4.46Å; L134-Y136 HydrophobicContact CB-CD2 4.44Å; L134-Y136 HydrophobicContact CB-CE2 3.87Å; L134-Y136 HydrophobicContact CD1-CE2 4.28Å; Y136-W147 AromaticContact CD1-CE3 3.89Å; Y136-W147 HydrophobicContact CD1-CE3 3.89Å; Y136-W147 HydrophobicContact CD1-CZ3 4.18Å; Y136-W147 HydrophobicContact CD2-CB 4.48Å; Y136-W147 AromaticContact CG-CE3 3.74Å; Y136-W147 HydrophobicContact CG-CE3 3.74Å; Y136-W147 HydrophobicContact CG-CZ3 4.45Å; Y136-W147 PolarHBondContact N-O 3.09Å; Y136-H149 AromaticContact CD2-CD2 3.79Å; Y136-H149 HydrophobicContact CE2-CB 4.2Å; Y136-H149 AromaticContact CE2-CD2 3.46Å; Y136-H149 VanDerWaalsContact CE2-CD2 3.46Å; Y136-H149 WeakPolarHBondContact CE2-CD2 3.43Å |
| 137 | L | 69.2 | Low | 71.9 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.9 | -175.4 | -63.2 | 170 | 0 | 0 | 0 | 109.3 | F28 F33 T54 H55 Y57 V135 M141 P143 | F28-L137 HydrophobicContact CD2-CD1 3.53Å; F28-L137 HydrophobicContact CD2-CD2 4.46Å; F28-L137 HydrophobicContact CE2-CD1 3.58Å; F28-L137 HydrophobicContact CE2-CG 4.48Å; F28-L137 HydrophobicContact CG-CD1 4.41Å; F28-L137 HydrophobicContact CZ-CD1 4.47Å; F33-L137 HydrophobicContact CE1-CD1 3.42Å; F33-L137 VanDerWaalsContact CE1-CD1 3.42Å; F33-L137 HydrophobicContact CE2-CD1 4.46Å; F33-L137 HydrophobicContact CZ-CB 3.86Å; F33-L137 HydrophobicContact CZ-CD1 3.22Å; F33-L137 HydrophobicContact CZ-CG 4.16Å; T54-L137 CarbonylContact C-O 3.51Å; T54-L137 WeakPolarHBondContact CA-O 3.27Å; H55-L137 PolarHBondContact N-O 2.78Å; H55-L137 PolarHBondContact O-N 3.07Å; Y57-L137 HydrophobicContact CD2-CB 4.32Å; Y57-L137 HydrophobicContact CD2-CD1 3.8Å; Y57-L137 HydrophobicContact CD2-CG 4.24Å; Y57-L137 HydrophobicContact CE2-CB 4.09Å; Y57-L137 HydrophobicContact CE2-CD1 3.99Å; Y57-L137 HydrophobicContact CE2-CG 4.43Å; V135-L137 HydrophobicContact CG1-CD2 4.05Å; V135-L137 HydrophobicContact CG1-CG 4.1Å; L137-M141 HydrophobicContact CD1-CE 4.48Å; L137-M141 HydrophobicContact CD1-SD 3.9Å; L137-P143 HydrophobicContact CD2-CB 4.08Å |
| 138 | W | 62.1 | Low | 71.4 | Confident | 79 Ų | 79 | 48.4 Ų | 48.4 | 30% | 0.299 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 162.1 | 167.7 | -83.4 | -6.8 | 0 | 0 | 0 | 111.9 | Y52 R53 N140 M141 E142 | Y52-W138 HydrophobicContact CD2-CE3 4.3Å; Y52-W138 HydrophobicContact CD2-CZ3 4.43Å; Y52-W138 HydrophobicContact CG-CE3 4.42Å; R53-W138 CarbonylContact O-C 3.57Å; R53-W138 WeakPolarHBondContact O-CA 3.45Å; W138-N140 WeakPolarHBondContact CB-OD1 3.4Å; W138-N140 PolarHBondContact O-N 2.92Å; W138-M141 WeakPolarHBondContact O-CA 3.24Å; W138-M141 PolarHBondContact O-N 2.9Å; W138-E142 PolarHBondContact N-O 2.95Å |
| 139 | D | 57.5 | Low | 71.1 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.032 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31.5 | 172.1 | -65.9 | -18.3 | 0 | 0 | 0 | 112.1 | Y43 F44 A47 Y52 R53 H55 M141 | Y43-D139 VanDerWaalsContact CE1-CG 3.5Å; Y43-D139 WeakPolarHBondContact CE1-OD1 3.27Å; Y43-D139 WeakPolarHBondContact CE1-OD2 3.49Å; F44-D139 WeakPolarHBondContact CD1-O 3.29Å; F44-D139 WeakPolarHBondContact CE1-O 3.32Å; A47-D139 HydrophobicContact CB-CB 3.64Å; Y52-D139 HydrophobicContact CD1-CB 4.33Å; R53-D139 WeakPolarHBondContact CB-OD2 3.3Å; R53-D139 PolarHBondContact N-OD2 2.86Å; R53-D139 PolarHBondContact O-N 2.83Å; R53-D139 VanDerWaalsContact O-OD1 3.12Å; H55-D139 IonicContact CD2-OD1 2.74Å; H55-D139 PolarHBondContact CD2-OD1 3.42Å; H55-D139 IonicContact CE1-OD1 3.88Å; H55-D139 PolarHBondContact CE1-OD1 2.79Å; H55-D139 IonicContact CG-OD1 3.33Å; H55-D139 IonicContact ND1-OD1 2.63Å; H55-D139 IonicContact NE2-OD1 3.36Å; H55-D139 PolarHBondContact NE2-OD1 3.29Å; D139-M141 PolarHBondContact O-N 3.13Å |
| 140 | N | 55.9 | Low | 71 | Confident | 40 Ų | 40 | 40 Ų | 40 | 21% | 0.214 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 8.8 | 175.2 | 69.1 | -8.8 | 0 | 0 | 0 | 114 | Y52 W138 E142 | Y52-N140 HydrophobicContact CD1-CB 3.94Å; Y52-N140 HydrophobicContact CE1-CB 3.58Å; W138-N140 WeakPolarHBondContact CB-OD1 3.4Å; W138-N140 PolarHBondContact O-N 2.92Å; N140-E142 WeakPolarHBondContact ND2-CG 3.36Å; N140-E142 PolarHBondContact ND2-OE1 3.31Å; N140-E142 PolarHBondContact ND2-OE2 3.28Å; N140-E142 PolarHBondContact O-N 3.27Å; N140-E142 WeakPolarHBondContact OD1-CB 3.2Å; N140-E142 PolarHBondContact OD1-N 3.06Å |
| 141 | M | 54.7 | Low | 70.9 | Confident | 23 Ų | 23 | 41.6 Ų | 41.6 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | trans | 66.9 | 6.3 | -178.2 | -96.7 | -65.6 | -138.7 | 0 | 0 | 116.1 | F28 P31 F33 L137 W138 D139 | F28-M141 HydrophobicContact CB-CE 4.27Å; P31-M141 HydrophobicContact CB-CB 4.31Å; P31-M141 HydrophobicContact CB-CE 4.2Å; P31-M141 HydrophobicContact CB-CG 3.74Å; P31-M141 HydrophobicContact CG-CB 3.79Å; P31-M141 HydrophobicContact CG-CG 3.75Å; F33-M141 HydrophobicContact CD1-CE 3.33Å; F33-M141 HydrophobicContact CD1-SD 4.23Å; F33-M141 HydrophobicContact CD2-CE 3.35Å; F33-M141 HydrophobicContact CD2-CG 3.5Å; F33-M141 HydrophobicContact CD2-SD 3.59Å; F33-M141 VanDerWaalsContact CD2-SD 3.59Å; F33-M141 HydrophobicContact CE1-CE 3.2Å; F33-M141 HydrophobicContact CE1-SD 3.62Å; F33-M141 HydrophobicContact CE2-CB 4.44Å; F33-M141 HydrophobicContact CE2-CE 3.31Å; F33-M141 HydrophobicContact CE2-CG 3.18Å; F33-M141 HydrophobicContact CE2-SD 2.94Å; F33-M141 WeakPolarHBondContact CE2-SD 3.46Å; F33-M141 HydrophobicContact CG-CE 3.41Å; F33-M141 VanDerWaalsContact CG-CE 3.41Å; F33-M141 HydrophobicContact CG-CG 4.5Å; F33-M141 HydrophobicContact CG-SD 4.22Å; F33-M141 HydrophobicContact CZ-CE 3.23Å; F33-M141 HydrophobicContact CZ-CG 3.9Å; F33-M141 HydrophobicContact CZ-SD 2.96Å; F33-M141 WeakPolarHBondContact CZ-SD 3.08Å; L137-M141 HydrophobicContact CD1-CE 4.48Å; L137-M141 HydrophobicContact CD1-SD 3.9Å; W138-M141 WeakPolarHBondContact O-CA 3.24Å; W138-M141 PolarHBondContact O-N 2.9Å; D139-M141 PolarHBondContact O-N 3.13Å | ||
| 142 | E | 50.8 | Low | 70.6 | Confident | 107 Ų | 107 | 42.5 Ų | 42.5 | 50% | 0.5 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -74.4 | 130.7 | 175.3 | -68.5 | 176.6 | 174.4 | 0 | 0 | 109.7 | W138 N140 | W138-E142 PolarHBondContact N-O 2.95Å; N140-E142 WeakPolarHBondContact ND2-CG 3.36Å; N140-E142 PolarHBondContact ND2-OE1 3.31Å; N140-E142 PolarHBondContact ND2-OE2 3.28Å; N140-E142 PolarHBondContact O-N 3.27Å; N140-E142 WeakPolarHBondContact OD1-CB 3.2Å; N140-E142 PolarHBondContact OD1-N 3.06Å |
| 143 | P | 49.7 | Very low | 70.2 | Confident | 62 Ų | 62 | 46 Ų | 46 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 141.3 | 173.2 | 29.5 | -32.3 | 0 | 0 | 0 | 111.3 | Y27 L137 | Y27-P143 HydrophobicContact CD2-CB 3.24Å; Y27-P143 HydrophobicContact CD2-CG 3.89Å; Y27-P143 HydrophobicContact CE2-CB 3.62Å; Y27-P143 HydrophobicContact CE2-CG 4.32Å; Y27-P143 HydrophobicContact CG-CB 4.29Å; L137-P143 HydrophobicContact CD2-CB 4.08Å |
| 144 | Q | 52.6 | Low | 70 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 147.2 | 166.3 | -70.8 | -114.5 | -9.3 | 0 | 0 | 110.6 | E146 W147 | Q144-E146 PolarHBondContact O-N 3.48Å; Q144-W147 HydrophobicContact CB-CB 4.43Å; Q144-W147 HydrophobicContact CB-CD2 3.6Å; Q144-W147 HydrophobicContact CB-CE3 4.2Å; Q144-W147 HydrophobicContact CB-CG 3.79Å; Q144-W147 HydrophobicContact CB-CZ2 4.14Å; Q144-W147 HydrophobicContact CG-CD2 4.25Å; Q144-W147 HydrophobicContact CG-CE3 4.42Å; Q144-W147 HydrophobicContact CG-CH2 4.29Å; Q144-W147 HydrophobicContact CG-CZ2 4.21Å; Q144-W147 HydrophobicContact CG-CZ3 4.43Å |
| 145 | H | 48.1 | Very low | 70.1 | Confident | 176 Ų | 176 | 53.5 Ų | 53.5 | 82% | 0.815 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 123.9 | 176.7 | -71.5 | -67.5 | 0 | 0 | 0 | 111.6 | W147 | H145-W147 PolarHBondContact O-NE1 2.74Å; H145-W147 VanDerWaalsContact O-NE1 3.12Å |
| 146 | E | 56.6 | Low | 70.2 | Confident | 112 Ų | 112 | 54 Ų | 54 | 52% | 0.523 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.1 | 4.8 | 173.5 | -53.4 | -165.1 | 143.5 | 0 | 0 | 119.3 | Q144 Q148 | Q144-E146 PolarHBondContact O-N 3.48Å; E146-Q148 VanDerWaalsContact C-N 3.29Å; E146-Q148 PolarHBondContact O-N 3.41Å |
| 147 | W | 70.3 | Confident | 70.2 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 31% | 0.307 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 35.3 | -163.2 | -66 | 19.5 | 0 | 0 | 0 | 116.7 | T54 Y136 Q144 H145 | T54-W147 HydrophobicContact CG2-CZ3 3.99Å; Y136-W147 AromaticContact CD1-CE3 3.89Å; Y136-W147 HydrophobicContact CD1-CE3 3.89Å; Y136-W147 HydrophobicContact CD1-CZ3 4.18Å; Y136-W147 HydrophobicContact CD2-CB 4.48Å; Y136-W147 AromaticContact CG-CE3 3.74Å; Y136-W147 HydrophobicContact CG-CE3 3.74Å; Y136-W147 HydrophobicContact CG-CZ3 4.45Å; Y136-W147 PolarHBondContact N-O 3.09Å; Q144-W147 HydrophobicContact CB-CB 4.43Å; Q144-W147 HydrophobicContact CB-CD2 3.6Å; Q144-W147 HydrophobicContact CB-CE3 4.2Å; Q144-W147 HydrophobicContact CB-CG 3.79Å; Q144-W147 HydrophobicContact CB-CZ2 4.14Å; Q144-W147 HydrophobicContact CG-CD2 4.25Å; Q144-W147 HydrophobicContact CG-CE3 4.42Å; Q144-W147 HydrophobicContact CG-CH2 4.29Å; Q144-W147 HydrophobicContact CG-CZ2 4.21Å; Q144-W147 HydrophobicContact CG-CZ3 4.43Å; H145-W147 PolarHBondContact O-NE1 2.74Å; H145-W147 VanDerWaalsContact O-NE1 3.12Å |
| 148 | Q | 82 | Confident | 70.7 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.4 | 155.8 | -90 | 175.8 | -12.7 | 0 | 0 | 108.1 | Y27 V110 V116 I133 L134 V135 E146 | Y27-Q148 HydrophobicContact CD1-CG 4.18Å; Y27-Q148 HydrophobicContact CE1-CG 3.88Å; V110-Q148 PolarHBondContact O-NE2 3.12Å; V116-Q148 HydrophobicContact CG1-CB 4.07Å; V116-Q148 HydrophobicContact CG2-CB 3.63Å; V116-Q148 WeakPolarHBondContact CG2-O 2.96Å; I133-Q148 HydrophobicContact CG2-CG 4.42Å; L134-Q148 VanDerWaalsContact O-CA 3.27Å; L134-Q148 WeakPolarHBondContact O-CA 3Å; V135-Q148 HydrophobicContact CG2-CG 3.96Å; E146-Q148 VanDerWaalsContact C-N 3.29Å; E146-Q148 PolarHBondContact O-N 3.41Å |
| 149 | H | 87.8 | Confident | 71.3 | Confident | 40 Ų | 40 | 59 Ų | 59 | 19% | 0.185 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 152.3 | 175 | -71 | -67.8 | 0 | 0 | 0 | 109.3 | E119 L134 Y136 | E119-H149 IonicContact OE1-CE1 3.58Å; E119-H149 IonicContact OE1-CG 3.84Å; E119-H149 IonicContact OE1-ND1 3.71Å; E119-H149 PolarHBondContact OE1-ND1 2.94Å; E119-H149 IonicContact OE2-ND1 2.73Å; L134-H149 HydrophobicContact CB-CB 4.42Å; L134-H149 PolarHBondContact N-O 2.84Å; L134-H149 PolarHBondContact O-N 2.94Å; Y136-H149 AromaticContact CD2-CD2 3.79Å; Y136-H149 HydrophobicContact CE2-CB 4.2Å; Y136-H149 AromaticContact CE2-CD2 3.46Å; Y136-H149 VanDerWaalsContact CE2-CD2 3.46Å; Y136-H149 WeakPolarHBondContact CE2-CD2 3.43Å |
| 150 | V | 91 | Very high | 71.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.6 | 170.8 | -70 | 0 | 0 | 0 | 0 | 110.4 | I63 V116 E119 I120 R123 L131 A132 I133 | I63-V150 HydrophobicContact CD1-CG1 4.1Å; V116-V150 HydrophobicContact CG1-CG1 4.17Å; E119-V150 HydrophobicContact CB-CG2 3.51Å; E119-V150 PolarHBondContact OE2-N 3.11Å; I120-V150 HydrophobicContact CD1-CG1 4.16Å; I120-V150 HydrophobicContact CG1-CB 4.24Å; I120-V150 HydrophobicContact CG1-CG1 3.66Å; I120-V150 HydrophobicContact CG1-CG2 3.8Å; R123-V150 PolarHBondContact NE-O 3.2Å; L131-V150 HydrophobicContact CB-CB 4.28Å; L131-V150 HydrophobicContact CD1-CB 4.44Å; L131-V150 HydrophobicContact CD1-CG2 4.4Å; A132-V150 WeakPolarHBondContact O-CA 3.37Å; I133-V150 HydrophobicContact CG1-CG1 4.44Å |
| 151 | R | 90.7 | Very high | 72.4 | Confident | 56 Ų | 56 | 64 Ų | 64 | 21% | 0.211 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.8 | 175.9 | -63.5 | -64.6 | 177.7 | -88.2 | -3 | 109.5 | E119 A132 L134 E155 L156 | E119-R151 IonicContact OE2-NH1 2.92Å; E119-R151 PolarHBondContact OE2-NH1 2.83Å; A132-R151 WeakPolarHBondContact CB-O 3.47Å; A132-R151 PolarHBondContact N-O 3.48Å; A132-R151 PolarHBondContact O-N 3.35Å; A132-R151 VanDerWaalsContact O-N 3.07Å; L134-R151 HydrophobicContact CD1-CB 4.03Å; L134-R151 HydrophobicContact CD1-CG 3.48Å; L134-R151 VanDerWaalsContact CD1-CG 3.48Å; R151-E155 WeakPolarHBondContact CA-OE2 3.45Å; R151-E155 HydrophobicContact CB-CB 4.27Å; R151-L156 HydrophobicContact CB-CD1 4.4Å; R151-L156 HydrophobicContact CB-CD2 4.08Å; R151-L156 HydrophobicContact CB-CG 3.89Å; R151-L156 HydrophobicContact CG-CD2 4.41Å |
| 152 | T | 89.4 | Confident | 73.1 | Confident | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 159.8 | 166.2 | 65.5 | 0 | 0 | 0 | 0 | 109.7 | N129 L131 A154 E155 L156 | N129-T152 WeakPolarHBondContact OD1-CG2 3.49Å; L131-T152 HydrophobicContact CD2-CG2 3.67Å; T152-A154 PolarHBondContact O-N 2.88Å; T152-E155 PolarHBondContact N-OE2 3.34Å; T152-E155 PolarHBondContact O-N 3.42Å; T152-E155 WeakPolarHBondContact OG1-CB 3.28Å; T152-E155 VanDerWaalsContact OG1-CG 3.25Å; T152-E155 WeakPolarHBondContact OG1-CG 3.38Å; T152-E155 PolarHBondContact OG1-N 2.69Å; T152-E155 VanDerWaalsContact OG1-N 3.07Å; T152-E155 PolarHBondContact OG1-OE2 2.91Å; T152-E155 VanDerWaalsContact OG1-OE2 3.08Å; T152-L156 PolarHBondContact O-N 2.91Å; T152-L156 VanDerWaalsContact O-N 3.13Å |
| 153 | F | 80.4 | Confident | 73.8 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -30.5 | 170.9 | -73 | -16.1 | 0 | 0 | 0 | 113 | L62 P130 A132 E155 L156 L157 | L62-F153 HydrophobicContact CD1-CE1 4.39Å; L62-F153 HydrophobicContact CD1-CE2 3.75Å; L62-F153 HydrophobicContact CD1-CZ 3.44Å; L62-F153 VanDerWaalsContact CD1-CZ 3.44Å; L62-F153 HydrophobicContact CD2-CE1 3.68Å; L62-F153 HydrophobicContact CD2-CZ 3.48Å; L62-F153 VanDerWaalsContact CD2-CZ 3.48Å; L62-F153 HydrophobicContact CG-CZ 4.1Å; P130-F153 HydrophobicContact CG-CD2 4.34Å; P130-F153 HydrophobicContact CG-CE2 4.41Å; A132-F153 HydrophobicContact CB-CD1 4.15Å; A132-F153 HydrophobicContact CB-CE1 3.85Å; F153-E155 VanDerWaalsContact C-N 3.33Å; F153-E155 PolarHBondContact O-N 2.74Å; F153-L156 HydrophobicContact CD1-CD1 4.31Å; F153-L156 PolarHBondContact O-N 3.23Å; F153-L157 WeakPolarHBondContact O-CB 3.39Å; F153-L157 PolarHBondContact O-N 3.35Å |
| 154 | A | 82.9 | Confident | 74.3 | Confident | 78 Ų | 78 | 60.6 Ų | 60.6 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T152 P158 | T152-A154 PolarHBondContact O-N 2.88Å; A154-P158 WeakPolarHBondContact O-CD 3.26Å |
| 155 | E | 86.8 | Confident | 74.2 | Confident | 82 Ų | 82 | 69.2 Ų | 69.2 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70 | -34 | 175.2 | -72.2 | 168.6 | 125.7 | 0 | 0 | 112.6 | R151 T152 F153 | R151-E155 WeakPolarHBondContact CA-OE2 3.45Å; R151-E155 HydrophobicContact CB-CB 4.27Å; T152-E155 PolarHBondContact N-OE2 3.34Å; T152-E155 PolarHBondContact O-N 3.42Å; T152-E155 WeakPolarHBondContact OG1-CB 3.28Å; T152-E155 VanDerWaalsContact OG1-CG 3.25Å; T152-E155 WeakPolarHBondContact OG1-CG 3.38Å; T152-E155 PolarHBondContact OG1-N 2.69Å; T152-E155 VanDerWaalsContact OG1-N 3.07Å; T152-E155 PolarHBondContact OG1-OE2 2.91Å; T152-E155 VanDerWaalsContact OG1-OE2 3.08Å; F153-E155 VanDerWaalsContact C-N 3.33Å; F153-E155 PolarHBondContact O-N 2.74Å |
| 156 | L | 80 | Confident | 74.6 | Confident | 11 Ų | 11 | 64.6 Ų | 64.6 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -75.1 | -35.2 | 178.9 | -73.4 | 179.1 | 0 | 0 | 0 | 112.7 | F2 A132 L134 R151 T152 F153 V159 D160 | F2-L156 HydrophobicContact CE2-CD2 4.46Å; A132-L156 HydrophobicContact CB-CD1 3.74Å; L134-L156 HydrophobicContact CD1-CD2 3.83Å; L134-L156 HydrophobicContact CD2-CD1 4.16Å; L134-L156 HydrophobicContact CD2-CD2 4.13Å; R151-L156 HydrophobicContact CB-CD1 4.4Å; R151-L156 HydrophobicContact CB-CD2 4.08Å; R151-L156 HydrophobicContact CB-CG 3.89Å; R151-L156 HydrophobicContact CG-CD2 4.41Å; T152-L156 PolarHBondContact O-N 2.91Å; T152-L156 VanDerWaalsContact O-N 3.13Å; F153-L156 HydrophobicContact CD1-CD1 4.31Å; F153-L156 PolarHBondContact O-N 3.23Å; L156-V159 WeakPolarHBondContact O-CB 3.44Å; L156-V159 PolarHBondContact O-N 2.78Å; L156-D160 WeakPolarHBondContact O-CB 3.04Å; L156-D160 PolarHBondContact O-N 2.88Å |
| 157 | L | 76 | Confident | 74.3 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 45% | 0.445 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.7 | -43.1 | -170.3 | -176.1 | 66.6 | 0 | 0 | 0 | 114.6 | F153 D160 K161 | F153-L157 WeakPolarHBondContact O-CB 3.39Å; F153-L157 PolarHBondContact O-N 3.35Å; L157-D160 PolarHBondContact O-N 3.49Å; L157-K161 HydrophobicContact CD1-CD 4.45Å; L157-K161 HydrophobicContact CD1-CG 4.4Å; L157-K161 HydrophobicContact CG-CD 4.3Å; L157-K161 WeakPolarHBondContact O-CB 2.96Å; L157-K161 WeakPolarHBondContact O-CG 3.39Å; L157-K161 PolarHBondContact O-N 2.9Å |
| 158 | P | 79 | Confident | 73.4 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.6 | -21.9 | 33.5 | 0 | 0 | 0 | 112.7 | A154 D160 K161 S162 | A154-P158 WeakPolarHBondContact O-CD 3.26Å; P158-D160 VanDerWaalsContact C-N 3.33Å; P158-K161 PolarHBondContact O-N 3.36Å; P158-S162 PolarHBondContact O-N 3.35Å |
| 159 | V | 75.1 | Confident | 72.2 | Confident | 50 Ų | 50 | 74 Ų | 74 | 30% | 0.303 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 177.3 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | L156 S162 Q163 | L156-V159 WeakPolarHBondContact O-CB 3.44Å; L156-V159 PolarHBondContact O-N 2.78Å; V159-S162 PolarHBondContact O-N 2.94Å; V159-S162 PolarHBondContact O-OG 2.92Å; V159-Q163 HydrophobicContact CG1-CG 4.36Å; V159-Q163 WeakPolarHBondContact O-CB 3.29Å; V159-Q163 VanDerWaalsContact O-CG 3.29Å; V159-Q163 WeakPolarHBondContact O-CG 3.35Å; V159-Q163 PolarHBondContact O-N 3.14Å |
| 160 | D | 68.3 | Low | 70.9 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 178.1 | -67.4 | -13.1 | 0 | 0 | 0 | 111.6 | M1 F2 L156 L157 P158 Q163 A164 | M1-D160 HydrophobicContact CG-CB 4.36Å; F2-D160 VanDerWaalsContact CD2-CG 3.44Å; F2-D160 WeakPolarHBondContact CD2-OD1 3.32Å; F2-D160 WeakPolarHBondContact CD2-OD2 3.01Å; F2-D160 WeakPolarHBondContact CE2-OD1 3.34Å; L156-D160 WeakPolarHBondContact O-CB 3.04Å; L156-D160 PolarHBondContact O-N 2.88Å; L157-D160 PolarHBondContact O-N 3.49Å; P158-D160 VanDerWaalsContact C-N 3.33Å; D160-Q163 PolarHBondContact O-N 2.7Å; D160-A164 VanDerWaalsContact O-CB 3.29Å; D160-A164 WeakPolarHBondContact O-CB 3.32Å; D160-A164 PolarHBondContact O-N 3.11Å |
| 161 | K | 69.3 | Low | 69.3 | Low | 133 Ų | 133 | 73.4 Ų | 73.4 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 178.6 | -77 | 178 | 177.4 | -179.8 | 0 | 112.1 | L157 P158 | L157-K161 HydrophobicContact CD1-CD 4.45Å; L157-K161 HydrophobicContact CD1-CG 4.4Å; L157-K161 HydrophobicContact CG-CD 4.3Å; L157-K161 WeakPolarHBondContact O-CB 2.96Å; L157-K161 WeakPolarHBondContact O-CG 3.39Å; L157-K161 PolarHBondContact O-N 2.9Å; P158-K161 PolarHBondContact O-N 3.36Å |
| 162 | S | 68.9 | Low | 67.8 | Low | 66 Ų | 66 | 72.9 Ų | 72.9 | 46% | 0.462 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.3 | -40.3 | 179.7 | 93.7 | 0 | 0 | 0 | 0 | 111.3 | P158 V159 N166 | P158-S162 PolarHBondContact O-N 3.35Å; V159-S162 PolarHBondContact O-N 2.94Å; V159-S162 PolarHBondContact O-OG 2.92Å; S162-N166 VanDerWaalsContact O-CG 3.26Å; S162-N166 PolarHBondContact O-ND2 3.02Å |
| 163 | Q | 65.4 | Low | 66.1 | Low | 28 Ų | 28 | 72.4 Ų | 72.4 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -84.4 | -15.9 | -176.6 | -63.5 | -170.1 | -0.7 | 0 | 0 | 114.2 | V159 D160 R165 N166 T170 | V159-Q163 HydrophobicContact CG1-CG 4.36Å; V159-Q163 WeakPolarHBondContact O-CB 3.29Å; V159-Q163 VanDerWaalsContact O-CG 3.29Å; V159-Q163 WeakPolarHBondContact O-CG 3.35Å; V159-Q163 PolarHBondContact O-N 3.14Å; D160-Q163 PolarHBondContact O-N 2.7Å; Q163-R165 PolarHBondContact O-N 3.47Å; Q163-N166 PolarHBondContact O-N 3.35Å; Q163-T170 VanDerWaalsContact CD-OG1 3.29Å; Q163-T170 PolarHBondContact NE2-OG1 3.24Å; Q163-T170 PolarHBondContact OE1-OG1 3.42Å; Q163-T170 VanDerWaalsContact OE1-OG1 3.12Å |
| 164 | A | 59 | Low | 64.8 | Low | 28 Ų | 28 | 68.9 Ų | 68.9 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.9 | -38.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 D160 | M1-A164 HydrophobicContact CE-CB 4.08Å; M1-A164 HydrophobicContact CG-CB 3.7Å; M1-A164 HydrophobicContact SD-CB 3.48Å; M1-A164 WeakPolarHBondContact SD-CB 3.48Å; D160-A164 VanDerWaalsContact O-CB 3.29Å; D160-A164 WeakPolarHBondContact O-CB 3.32Å; D160-A164 PolarHBondContact O-N 3.11Å |
| 165 | R | 52.3 | Low | 63.2 | Low | 231 Ų | 231 | 65.4 Ų | 65.4 | 87% | 0.872 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -94.9 | -14.4 | -173.8 | -62.1 | -178.2 | 179.8 | -179.2 | -1.1 | 113.5 | Q163 | Q163-R165 PolarHBondContact O-N 3.47Å |
| 166 | N | 54.6 | Low | 61.3 | Low | 80 Ų | 80 | 63.4 Ų | 63.4 | 43% | 0.428 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -86.6 | 144.7 | -176.8 | -71.1 | -14.4 | 0 | 0 | 0 | 111.8 | S162 Q163 E168 R169 | S162-N166 VanDerWaalsContact O-CG 3.26Å; S162-N166 PolarHBondContact O-ND2 3.02Å; Q163-N166 PolarHBondContact O-N 3.35Å; N166-E168 PolarHBondContact O-N 3.43Å; N166-R169 WeakPolarHBondContact O-CG 3.42Å |
| 167 | W | 51.3 | Low | 59.6 | Low | 196 Ų | 196 | 63.3 Ų | 63.3 | 74% | 0.742 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -65.4 | -27.2 | 172.1 | 66 | -87.5 | 0 | 0 | 0 | 111.8 | R169 | W167-R169 VanDerWaalsContact C-N 3.27Å; W167-R169 PolarHBondContact O-N 3.36Å |
| 168 | E | 51.5 | Low | 57.8 | Low | 78 Ų | 78 | 63.5 Ų | 63.5 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | trans | -81.4 | 65.9 | 173.3 | -51.8 | -163.3 | 134.6 | 0 | 0 | 111.4 | R53 N166 T170 | R53-E168 IonicContact CZ-OE1 3.09Å; R53-E168 IonicContact NH1-OE1 3.98Å; R53-E168 PolarHBondContact NH1-OE1 3.29Å; R53-E168 IonicContact NH1-OE2 2.69Å; R53-E168 IonicContact NH2-OE1 2.74Å; R53-E168 PolarHBondContact NH2-OE1 3.14Å; R53-E168 VanDerWaalsContact NH2-OE1 3.09Å; N166-E168 PolarHBondContact O-N 3.43Å; E168-T170 PolarHBondContact O-N 2.99Å | ||
| 169 | R | 56.4 | Low | 55.8 | Low | 118 Ų | 118 | 60.7 Ų | 60.7 | 45% | 0.445 | 29% | 0.292 | S | S | . | . | trans | -69.2 | 78.2 | 177.4 | -63.3 | -178.6 | 176.9 | -175.7 | -2 | 111 | N166 W167 R172 | N166-R169 WeakPolarHBondContact O-CG 3.42Å; W167-R169 VanDerWaalsContact C-N 3.27Å; W167-R169 PolarHBondContact O-N 3.36Å; R169-R172 PolarHBondContact O-NE 3.02Å | ||
| 170 | T | 61.5 | Low | 54.3 | Low | 23 Ų | 23 | 59.7 Ų | 59.7 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | trans | -82.7 | -31.2 | 179.6 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | H55 K56 Q163 E168 | H55-T170 CarbonylContact C-O 3.5Å; H55-T170 WeakPolarHBondContact CA-O 3.26Å; K56-T170 PolarHBondContact N-O 2.84Å; Q163-T170 VanDerWaalsContact CD-OG1 3.29Å; Q163-T170 PolarHBondContact NE2-OG1 3.24Å; Q163-T170 PolarHBondContact OE1-OG1 3.42Å; Q163-T170 VanDerWaalsContact OE1-OG1 3.12Å; E168-T170 PolarHBondContact O-N 2.99Å | ||
| 171 | A | 56.9 | Low | 52.9 | Low | 4 Ų | 4 | 67.1 Ų | 67.1 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1 F2 K56 | M1-A171 PolarHBondContact N-O 3.02Å; F2-A171 HydrophobicContact CE2-CB 3.84Å; F2-A171 HydrophobicContact CZ-CB 3.86Å; K56-A171 HydrophobicContact CB-CB 4.46Å |
| 172 | R | 58.2 | Low | 51.7 | Low | 46 Ų | 46 | 63 Ų | 63 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.5 | -170 | -59.7 | -173.8 | 178.5 | -152.1 | 7.7 | 111.7 | F2 Y35 H55 K56 Y57 R169 | F2-R172 WeakPolarHBondContact CD1-O 3.45Å; F2-R172 VanDerWaalsContact CE1-C 3.47Å; F2-R172 WeakPolarHBondContact CE1-O 2.98Å; Y35-R172 VanDerWaalsContact CD2-NH1 3.26Å; H55-R172 PolarHBondContact NE2-NH2 3.19Å; K56-R172 PolarHBondContact O-N 3.4Å; Y57-R172 HydrophobicContact CD1-CB 4.23Å; Y57-R172 HydrophobicContact CE1-CB 4.1Å; R169-R172 PolarHBondContact O-NE 3.02Å |
| 173 | A | 53.8 | Low | 50.6 | Low | 8 Ų | 8 | 61.5 Ų | 61.5 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 140.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L15 C175 | L15-A173 HydrophobicContact CD1-CB 3.78Å; A173-C175 VanDerWaalsContact CB-SG 3.59Å; A173-C175 PolarHBondContact O-N 3.43Å |
| 174 | T | 54.3 | Low | 49.8 | Very low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -72.3 | 74 | 162.5 | 46.7 | 0 | 0 | 0 | 0 | 109.2 | Y16 F18 F34 Y57 R58 | Y16-T174 WeakPolarHBondContact CB-O 3.27Å; Y16-T174 PolarHBondContact N-O 2.95Å; Y16-T174 PolarHBondContact O-OG1 3.42Å; F18-T174 HydrophobicContact CD1-CG2 4.43Å; F18-T174 HydrophobicContact CE1-CG2 3.98Å; F34-T174 HydrophobicContact CD2-CG2 3.73Å; F34-T174 HydrophobicContact CE2-CG2 3.57Å; F34-T174 HydrophobicContact CZ-CG2 4.49Å; Y57-T174 HydrophobicContact CD1-CG2 4.3Å; R58-T174 PolarHBondContact O-OG1 2.78Å | ||
| 175 | C | 49.2 | Very low | 49.5 | Very low | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.034 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.9 | 173.5 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | C7 K14 F34 A173 F177 | C7-C175 VanDerWaalsContact CA-SG 3.59Å; C7-C175 HydrophobicContact CB-CB 4.03Å; C7-C175 WeakPolarHBondContact CB-SG 3.25Å; C7-C175 WeakPolarHBondContact SG-CB 3.39Å; C7-C175 CovalentContact SG-SG 2.05Å; C7-C175 PolarHBondContact SG-SG 3.39Å; K14-C175 CarbonylContact O-C 3.56Å; K14-C175 VanDerWaalsContact O-CA 3.31Å; K14-C175 WeakPolarHBondContact O-CA 2.73Å; F34-C175 VanDerWaalsContact CA-O 3.25Å; F34-C175 WeakPolarHBondContact CA-O 3.41Å; F34-C175 WeakPolarHBondContact CB-O 3Å; F34-C175 VanDerWaalsContact CD1-C 3.48Å; F34-C175 WeakPolarHBondContact CD1-O 3.03Å; F34-C175 VanDerWaalsContact CG-O 3.3Å; F34-C175 WeakPolarHBondContact CG-O 3.3Å; A173-C175 VanDerWaalsContact CB-SG 3.59Å; A173-C175 PolarHBondContact O-N 3.43Å; C175-F177 HydrophobicContact CB-CD2 4.49Å; C175-F177 HydrophobicContact CB-CE2 3.58Å; C175-F177 HydrophobicContact CB-CZ 3.62Å |
| 176 | V | 47 | Very low | 49.5 | Very low | 41 Ų | 41 | 56.8 Ų | 56.8 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.7 | 164.5 | 168.8 | 0 | 0 | 0 | 0 | 109.3 | K14 Y16 F34 | K14-V176 PolarHBondContact N-O 2.96Å; K14-V176 PolarHBondContact O-N 2.84Å; Y16-V176 HydrophobicContact CD1-CG2 3.69Å; Y16-V176 HydrophobicContact CD2-CB 4.41Å; Y16-V176 HydrophobicContact CD2-CG2 3.67Å; Y16-V176 HydrophobicContact CE1-CG2 4.35Å; Y16-V176 HydrophobicContact CE2-CG2 4.38Å; Y16-V176 HydrophobicContact CG-CB 4.28Å; Y16-V176 HydrophobicContact CG-CG2 3.3Å; F34-V176 HydrophobicContact CD1-CB 4.46Å; F34-V176 HydrophobicContact CD1-CG2 3.7Å; F34-V176 HydrophobicContact CE1-CB 4.4Å; F34-V176 HydrophobicContact CE1-CG2 3.23Å; F34-V176 HydrophobicContact CZ-CG2 4.26Å |
| 177 | F | 43.6 | Very low | 49.3 | Very low | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | trans | -108.4 | 146 | 165.7 | -54.3 | -85.8 | 0 | 0 | 0 | 109.1 | L10 G13 Y35 P36 C175 S179 L180 | L10-F177 HydrophobicContact CB-CD1 4.21Å; L10-F177 HydrophobicContact CB-CE1 3.56Å; L10-F177 HydrophobicContact CB-CZ 4.39Å; L10-F177 HydrophobicContact CD1-CD1 4.27Å; L10-F177 HydrophobicContact CD1-CE1 3.31Å; L10-F177 HydrophobicContact CD1-CE2 4.3Å; L10-F177 HydrophobicContact CD1-CZ 3.34Å; L10-F177 HydrophobicContact CG-CE1 4.11Å; G13-F177 VanDerWaalsContact CA-CD1 3.43Å; Y35-F177 WeakPolarHBondContact O-CD2 3.24Å; Y35-F177 WeakPolarHBondContact O-CE2 3.4Å; P36-F177 HydrophobicContact CB-CE2 4.35Å; P36-F177 HydrophobicContact CB-CZ 4.1Å; C175-F177 HydrophobicContact CB-CD2 4.49Å; C175-F177 HydrophobicContact CB-CE2 3.58Å; C175-F177 HydrophobicContact CB-CZ 3.62Å; F177-S179 PolarHBondContact O-N 3.36Å; F177-S179 VanDerWaalsContact O-N 3.15Å; F177-L180 HydrophobicContact CB-CD1 4.18Å; F177-L180 HydrophobicContact CB-CG 3.99Å; F177-L180 HydrophobicContact CD2-CD1 3.68Å; F177-L180 HydrophobicContact CD2-CG 4.27Å; F177-L180 HydrophobicContact CG-CD1 4.42Å; F177-L180 VanDerWaalsContact O-CB 3.24Å; F177-L180 WeakPolarHBondContact O-CB 3.31Å; F177-L180 PolarHBondContact O-N 3.49Å | ||
| 178 | P | 37.7 | Very low | 49.3 | Very low | 88 Ų | 88 | 48.9 Ų | 48.9 | 57% | 0.571 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -57 | -28.6 | 179.1 | -24.6 | 33.2 | 0 | 0 | 0 | 114 | N12 L180 | N12-P178 HydrophobicContact CB-CG 3.78Å; P178-L180 PolarHBondContact O-N 3.44Å |
| 179 | S | 37.3 | Very low | 48.9 | Very low | 26 Ų | 26 | 51 Ų | 51 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -61.7 | -21.8 | 172.6 | 49.1 | 0 | 0 | 0 | 0 | 114 | F177 F187 | F177-S179 PolarHBondContact O-N 3.36Å; F177-S179 VanDerWaalsContact O-N 3.15Å; S179-F187 VanDerWaalsContact CB-CE1 3.45Å |
| 180 | L | 44.1 | Very low | 48.4 | Very low | 29 Ų | 29 | 54.9 Ų | 54.9 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -89.8 | -0.2 | -169.2 | -63.2 | -176.2 | 0 | 0 | 0 | 116 | T32 F34 F177 P178 K182 | T32-L180 WeakPolarHBondContact CG2-O 3.42Å; F34-L180 HydrophobicContact CD1-CD1 4.36Å; F177-L180 HydrophobicContact CB-CD1 4.18Å; F177-L180 HydrophobicContact CB-CG 3.99Å; F177-L180 HydrophobicContact CD2-CD1 3.68Å; F177-L180 HydrophobicContact CD2-CG 4.27Å; F177-L180 HydrophobicContact CG-CD1 4.42Å; F177-L180 VanDerWaalsContact O-CB 3.24Å; F177-L180 WeakPolarHBondContact O-CB 3.31Å; F177-L180 PolarHBondContact O-N 3.49Å; P178-L180 PolarHBondContact O-N 3.44Å; L180-K182 PolarHBondContact O-N 2.97Å |
| 181 | R | 38.1 | Very low | 48 | Very low | 173 Ų | 173 | 57.6 Ų | 57.6 | 65% | 0.653 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -64.7 | 2.5 | 168.8 | -67.2 | -169.4 | 178.9 | -174.8 | 4.2 | 112.2 | F204 | R181-F204 HydrophobicContact CB-CD1 3.14Å; R181-F204 HydrophobicContact CB-CE1 3.34Å; R181-F204 HydrophobicContact CB-CG 4.12Å; R181-F204 HydrophobicContact CB-CZ 4.43Å; R181-F204 HydrophobicContact CG-CD1 4.18Å; R181-F204 HydrophobicContact CG-CE1 3.94Å; R181-F204 CarbonylContact O-C 3.57Å; R181-F204 WeakPolarHBondContact O-CA 3.36Å; R181-F204 WeakPolarHBondContact O-CB 3.37Å; R181-F204 VanDerWaalsContact O-CD1 3.26Å; R181-F204 WeakPolarHBondContact O-CD1 3.24Å |
| 182 | K | 45.1 | Very low | 47.7 | Very low | 46 Ų | 46 | 58.6 Ų | 58.6 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -120.3 | 115.4 | -169.3 | -41.1 | -166.4 | 173 | -178.1 | 0 | 109.8 | L180 C184 G192 C194 T203 F204 | L180-K182 PolarHBondContact O-N 2.97Å; K182-C184 WeakPolarHBondContact CB-SG 2.96Å; K182-C184 PolarHBondContact O-N 3.29Å; K182-G192 PolarHBondContact NZ-O 3.03Å; K182-C194 HydrophobicContact CB-CB 3.99Å; K182-C194 WeakPolarHBondContact CB-SG 3.49Å; K182-C194 HydrophobicContact CD-CB 3.32Å; K182-C194 HydrophobicContact CG-CB 4.3Å; K182-T203 WeakPolarHBondContact CD-O 3.25Å; K182-T203 WeakPolarHBondContact CE-O 3.23Å; K182-T203 WeakPolarHBondContact CG-O 2.97Å; K182-F204 HydrophobicContact CG-CD1 4.5Å |
| 183 | L | 45.6 | Very low | 47.6 | Very low | 35 Ų | 35 | 62.3 Ų | 62.3 | 18% | 0.183 | 32% | 0.319 | C | S | . | . | trans | -69.4 | 70.3 | 166.5 | -75.2 | 164.2 | 0 | 0 | 0 | 109.9 | P30 T32 F200 F204 C205 | P30-L183 HydrophobicContact CB-CD1 3.98Å; P30-L183 HydrophobicContact CB-CD2 4.32Å; P30-L183 HydrophobicContact CG-CD1 3.57Å; P30-L183 HydrophobicContact CG-CD2 4.23Å; P30-L183 HydrophobicContact CG-CG 4.13Å; T32-L183 HydrophobicContact CG2-CD2 4.37Å; T32-L183 HydrophobicContact CG2-CG 4.47Å; L183-F200 HydrophobicContact CD1-CD1 4.42Å; L183-F200 HydrophobicContact CD1-CE1 4.3Å; L183-F204 PolarHBondContact N-O 3.04Å; L183-C205 HydrophobicContact CB-CB 3.82Å; L183-C205 VanDerWaalsContact O-CB 3.28Å; L183-C205 WeakPolarHBondContact O-CB 3.43Å; L183-C205 PolarHBondContact O-SG 3.25Å | ||
| 184 | C | 49.2 | Very low | 47.9 | Very low | 31 Ų | 31 | 63.4 Ų | 63.4 | 21% | 0.209 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 135.1 | -176.4 | -52.4 | 0 | 0 | 0 | 0 | 111.8 | K182 S186 F187 C194 I195 | K182-C184 WeakPolarHBondContact CB-SG 2.96Å; K182-C184 PolarHBondContact O-N 3.29Å; C184-S186 VanDerWaalsContact C-N 3.27Å; C184-S186 WeakPolarHBondContact CB-O 3.36Å; C184-F187 HydrophobicContact CB-CB 4.32Å; C184-C194 WeakPolarHBondContact CA-SG 2.97Å; C184-C194 HydrophobicContact CB-CB 4.22Å; C184-C194 WeakPolarHBondContact CB-SG 3.33Å; C184-C194 WeakPolarHBondContact SG-CB 3.44Å; C184-C194 CovalentContact SG-SG 2.01Å; C184-C194 PolarHBondContact SG-SG 2.78Å; C184-I195 CarbonylContact C-O 3.51Å; C184-I195 VanDerWaalsContact CA-O 3.24Å; C184-I195 WeakPolarHBondContact CA-O 3.24Å |
| 185 | E | 52.6 | Low | 48.3 | Very low | 107 Ų | 107 | 68.1 Ų | 68.1 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | -40.9 | 153.5 | 180 | 175.7 | -172.1 | 0 | 0 | 110.3 | I195 | E185-I195 WeakPolarHBondContact CB-O 3.26Å; E185-I195 PolarHBondContact N-O 2.89Å |
| 186 | S | 51.2 | Low | 48.9 | Very low | 49 Ų | 49 | 69.2 Ų | 69.2 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 143.6 | 172.7 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | C184 I195 | C184-S186 VanDerWaalsContact C-N 3.27Å; C184-S186 WeakPolarHBondContact CB-O 3.36Å; S186-I195 PolarHBondContact N-O 2.91Å; S186-I195 PolarHBondContact O-N 3.11Å; S186-I195 WeakPolarHBondContact OG-CB 3.08Å; S186-I195 WeakPolarHBondContact OG-CD1 3.14Å |
| 187 | F | 50.3 | Low | 49.3 | Very low | 42 Ų | 42 | 71.6 Ų | 71.6 | 18% | 0.184 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 132.2 | -179.2 | -179 | -100.7 | 0 | 0 | 0 | 110.8 | P38 S179 C184 E189 G192 E193 C194 | P38-F187 HydrophobicContact CB-CB 4.49Å; P38-F187 HydrophobicContact CB-CD1 3.73Å; P38-F187 HydrophobicContact CB-CE1 4.39Å; P38-F187 HydrophobicContact CB-CG 4.4Å; P38-F187 HydrophobicContact CG-CD1 3.96Å; P38-F187 HydrophobicContact CG-CE1 4.18Å; S179-F187 VanDerWaalsContact CB-CE1 3.45Å; C184-F187 HydrophobicContact CB-CB 4.32Å; F187-E189 HydrophobicContact CD1-CG 4.27Å; F187-E189 HydrophobicContact CE1-CG 4.49Å; F187-G192 WeakPolarHBondContact CE2-O 3.4Å; F187-E193 WeakPolarHBondContact CA-O 3.29Å; F187-E193 WeakPolarHBondContact CD2-O 3.04Å; F187-C194 HydrophobicContact CD2-CB 4.42Å |
| 188 | N | 50.9 | Low | 50.1 | Low | 69 Ų | 69 | 76.8 Ų | 76.8 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | trans | -90.1 | 110.2 | 173.4 | -177.2 | -25.8 | 0 | 0 | 0 | 109.7 | K190 T191 G192 E193 | N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 3.17Å; N188-K190 PolarHBondContact OD1-N 3.06Å; N188-T191 VanDerWaalsContact CB-OG1 3.31Å; N188-T191 WeakPolarHBondContact CB-OG1 3.1Å; N188-T191 PolarHBondContact ND2-OG1 3Å; N188-T191 PolarHBondContact O-N 3.31Å; N188-T191 PolarHBondContact OD1-N 3.33Å; N188-G192 WeakPolarHBondContact O-CA 3.14Å; N188-G192 PolarHBondContact O-N 3.17Å; N188-E193 HydrophobicContact CB-CB 4.3Å; N188-E193 PolarHBondContact N-O 3.06Å | ||
| 189 | E | 43.5 | Very low | 50.9 | Low | 121 Ų | 121 | 75.3 Ų | 75.3 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29 | -176.9 | -59 | -168.1 | 155 | 0 | 0 | 114.1 | P38 F187 | P38-E189 WeakPolarHBondContact CD-OE1 3.25Å; P38-E189 HydrophobicContact CG-CG 4.08Å; P38-E189 WeakPolarHBondContact CG-OE1 3.47Å; P38-E189 VanDerWaalsContact O-OE1 3.12Å; F187-E189 HydrophobicContact CD1-CG 4.27Å; F187-E189 HydrophobicContact CE1-CG 4.49Å |
| 190 | K | 45.6 | Very low | 51.9 | Low | 201 Ų | 201 | 77.4 Ų | 77.4 | 87% | 0.874 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -39.7 | -179.2 | -71.8 | -174.5 | 178 | -177.8 | 0 | 112.4 | N188 | N188-K190 VanDerWaalsContact C-N 3.29Å; N188-K190 PolarHBondContact O-N 3.17Å; N188-K190 PolarHBondContact OD1-N 3.06Å |
| 191 | T | 53.9 | Low | 52.7 | Low | 80 Ų | 80 | 80.5 Ų | 80.5 | 49% | 0.491 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -18.5 | -174.2 | 65 | 0 | 0 | 0 | 0 | 113.2 | N188 E193 | N188-T191 VanDerWaalsContact CB-OG1 3.31Å; N188-T191 WeakPolarHBondContact CB-OG1 3.1Å; N188-T191 PolarHBondContact ND2-OG1 3Å; N188-T191 PolarHBondContact O-N 3.31Å; N188-T191 PolarHBondContact OD1-N 3.33Å; T191-E193 PolarHBondContact O-N 2.95Å; T191-E193 WeakPolarHBondContact OG1-CB 3.12Å; T191-E193 VanDerWaalsContact OG1-CG 3.29Å; T191-E193 WeakPolarHBondContact OG1-CG 3.48Å; T191-E193 PolarHBondContact OG1-N 3.01Å; T191-E193 PolarHBondContact OG1-OE2 2.81Å |
| 192 | G | 50.4 | Low | 53.3 | Low | 25 Ų | 25 | 74.9 Ų | 74.9 | 26% | 0.258 | 42% | 0.424 | S | S | . | . | trans | 74.7 | 8.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K182 F187 N188 | K182-G192 PolarHBondContact NZ-O 3.03Å; F187-G192 WeakPolarHBondContact CE2-O 3.4Å; N188-G192 WeakPolarHBondContact O-CA 3.14Å; N188-G192 PolarHBondContact O-N 3.17Å | ||
| 193 | E | 57.2 | Low | 53.7 | Low | 123 Ų | 123 | 77.3 Ų | 77.3 | 58% | 0.575 | 44% | 0.443 | S | S | * | . | trans | -74.8 | 149.5 | 179.2 | -69.9 | 169.2 | 143.5 | 0 | 0 | 111.9 | F187 N188 T191 | F187-E193 WeakPolarHBondContact CA-O 3.29Å; F187-E193 WeakPolarHBondContact CD2-O 3.04Å; N188-E193 HydrophobicContact CB-CB 4.3Å; N188-E193 PolarHBondContact N-O 3.06Å; T191-E193 PolarHBondContact O-N 2.95Å; T191-E193 WeakPolarHBondContact OG1-CB 3.12Å; T191-E193 VanDerWaalsContact OG1-CG 3.29Å; T191-E193 WeakPolarHBondContact OG1-CG 3.48Å; T191-E193 PolarHBondContact OG1-N 3.01Å; T191-E193 PolarHBondContact OG1-OE2 2.81Å | ||
| 194 | C | 59.6 | Low | 53.9 | Low | 32 Ų | 32 | 79 Ų | 79 | 22% | 0.216 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.9 | -175.9 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | K182 C184 F187 C205 | K182-C194 HydrophobicContact CB-CB 3.99Å; K182-C194 WeakPolarHBondContact CB-SG 3.49Å; K182-C194 HydrophobicContact CD-CB 3.32Å; K182-C194 HydrophobicContact CG-CB 4.3Å; C184-C194 WeakPolarHBondContact CA-SG 2.97Å; C184-C194 HydrophobicContact CB-CB 4.22Å; C184-C194 WeakPolarHBondContact CB-SG 3.33Å; C184-C194 WeakPolarHBondContact SG-CB 3.44Å; C184-C194 CovalentContact SG-SG 2.01Å; C184-C194 PolarHBondContact SG-SG 2.78Å; F187-C194 HydrophobicContact CD2-CB 4.42Å; C194-C205 PolarHBondContact SG-SG 2.72Å |
| 195 | I | 63.3 | Low | 54.1 | Low | 99 Ų | 99 | 77.6 Ų | 77.6 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.4 | 168.7 | -57.5 | -174.5 | 0 | 0 | 0 | 107.1 | C184 E185 S186 | C184-I195 CarbonylContact C-O 3.51Å; C184-I195 VanDerWaalsContact CA-O 3.24Å; C184-I195 WeakPolarHBondContact CA-O 3.24Å; E185-I195 WeakPolarHBondContact CB-O 3.26Å; E185-I195 PolarHBondContact N-O 2.89Å; S186-I195 PolarHBondContact N-O 2.91Å; S186-I195 PolarHBondContact O-N 3.11Å; S186-I195 WeakPolarHBondContact OG-CB 3.08Å; S186-I195 WeakPolarHBondContact OG-CD1 3.14Å |
| 196 | C | 60.6 | Low | 53.9 | Low | 28 Ų | 28 | 78.7 Ų | 78.7 | 19% | 0.189 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 152.1 | -179.7 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | F200 C205 | C196-F200 HydrophobicContact CB-CB 4.04Å; C196-F200 VanDerWaalsContact CB-O 3.29Å; C196-F200 WeakPolarHBondContact CB-O 3.38Å; C196-C205 WeakPolarHBondContact CA-SG 3.38Å; C196-C205 HydrophobicContact CB-CB 3.68Å; C196-C205 WeakPolarHBondContact CB-SG 3.2Å; C196-C205 WeakPolarHBondContact SG-CA 3.44Å; C196-C205 WeakPolarHBondContact SG-CB 3.05Å; C196-C205 CovalentContact SG-SG 2.04Å; C196-C205 PolarHBondContact SG-SG 2.01Å |
| 197 | H | 56 | Low | 54 | Low | 91 Ų | 91 | 84.6 Ų | 84.6 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 151.1 | 167.7 | -75.1 | -74.1 | 0 | 0 | 0 | 111.7 | G199 F200 | H197-G199 PolarHBondContact O-N 2.73Å; H197-F200 HydrophobicContact CB-CD2 3.81Å; H197-F200 HydrophobicContact CB-CE2 4.32Å; H197-F200 WeakPolarHBondContact O-CB 3.47Å; H197-F200 PolarHBondContact O-N 3.11Å |
| 198 | P | 60.8 | Low | 54 | Low | 117 Ų | 117 | 83.7 Ų | 83.7 | 76% | 0.76 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 129.1 | 174 | -27.5 | 34.7 | 0 | 0 | 0 | 112.5 | ||
| 199 | G | 54.6 | Low | 53.5 | Low | 58 Ų | 58 | 88 Ų | 88 | 60% | 0.598 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -4.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | H197 G208 | H197-G199 PolarHBondContact O-N 2.73Å; G199-G208 PolarHBondContact O-N 2.91Å |
| 200 | F | 56.8 | Low | 53.6 | Low | 70 Ų | 70 | 85.1 Ų | 85.1 | 31% | 0.307 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.6 | 171.9 | -62.3 | -98.3 | 0 | 0 | 0 | 109.8 | L183 C196 H197 C205 E206 K207 | L183-F200 HydrophobicContact CD1-CD1 4.42Å; L183-F200 HydrophobicContact CD1-CE1 4.3Å; C196-F200 HydrophobicContact CB-CB 4.04Å; C196-F200 VanDerWaalsContact CB-O 3.29Å; C196-F200 WeakPolarHBondContact CB-O 3.38Å; H197-F200 HydrophobicContact CB-CD2 3.81Å; H197-F200 HydrophobicContact CB-CE2 4.32Å; H197-F200 WeakPolarHBondContact O-CB 3.47Å; H197-F200 PolarHBondContact O-N 3.11Å; F200-C205 HydrophobicContact CB-CB 4.22Å; F200-C205 VanDerWaalsContact CD1-O 3.23Å; F200-C205 WeakPolarHBondContact CD1-O 3.31Å; F200-E206 VanDerWaalsContact CA-O 3.26Å; F200-E206 WeakPolarHBondContact CA-O 3.17Å; F200-K207 HydrophobicContact CD1-CB 4.17Å; F200-K207 HydrophobicContact CE1-CB 3.97Å |
| 201 | T | 61.1 | Low | 53.6 | Low | 93 Ų | 93 | 82.3 Ų | 82.3 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 169.9 | -178.6 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | E206 | T201-E206 PolarHBondContact N-O 2.91Å; T201-E206 PolarHBondContact O-N 2.85Å; T201-E206 VanDerWaalsContact O-N 3.14Å |
| 202 | G | 52.1 | Low | 53.4 | Low | 56 Ų | 56 | 83.9 Ų | 83.9 | 58% | 0.577 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 175 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | F204 C205 | G202-F204 PolarHBondContact O-N 3.23Å; G202-C205 PolarHBondContact O-N 3.39Å; G202-C205 VanDerWaalsContact O-N 3.13Å |
| 203 | T | 51.8 | Low | 53.1 | Low | 97 Ų | 97 | 86.4 Ų | 86.4 | 60% | 0.595 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.5 | -174.9 | -51.8 | 0 | 0 | 0 | 0 | 113.5 | K182 | K182-T203 WeakPolarHBondContact CD-O 3.25Å; K182-T203 WeakPolarHBondContact CE-O 3.23Å; K182-T203 WeakPolarHBondContact CG-O 2.97Å |
| 204 | F | 51 | Low | 52.2 | Low | 71 Ų | 71 | 85.4 Ų | 85.4 | 31% | 0.311 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 6.5 | -175.2 | -59.4 | -44.4 | 0 | 0 | 0 | 114 | R181 K182 L183 G202 E206 | R181-F204 HydrophobicContact CB-CD1 3.14Å; R181-F204 HydrophobicContact CB-CE1 3.34Å; R181-F204 HydrophobicContact CB-CG 4.12Å; R181-F204 HydrophobicContact CB-CZ 4.43Å; R181-F204 HydrophobicContact CG-CD1 4.18Å; R181-F204 HydrophobicContact CG-CE1 3.94Å; R181-F204 CarbonylContact O-C 3.57Å; R181-F204 WeakPolarHBondContact O-CA 3.36Å; R181-F204 WeakPolarHBondContact O-CB 3.37Å; R181-F204 VanDerWaalsContact O-CD1 3.26Å; R181-F204 WeakPolarHBondContact O-CD1 3.24Å; K182-F204 HydrophobicContact CG-CD1 4.5Å; L183-F204 PolarHBondContact N-O 3.04Å; G202-F204 PolarHBondContact O-N 3.23Å; F204-E206 VanDerWaalsContact C-N 3.27Å; F204-E206 HydrophobicContact CB-CG 4.1Å; F204-E206 PolarHBondContact O-N 3.42Å |
| 205 | C | 52.8 | Low | 51.2 | Low | 1 Ų | 1 | 88.4 Ų | 88.4 | 1% | 0.007 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 51.3 | -173.7 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | L183 C194 C196 F200 G202 | L183-C205 HydrophobicContact CB-CB 3.82Å; L183-C205 VanDerWaalsContact O-CB 3.28Å; L183-C205 WeakPolarHBondContact O-CB 3.43Å; L183-C205 PolarHBondContact O-SG 3.25Å; C194-C205 PolarHBondContact SG-SG 2.72Å; C196-C205 WeakPolarHBondContact CA-SG 3.38Å; C196-C205 HydrophobicContact CB-CB 3.68Å; C196-C205 WeakPolarHBondContact CB-SG 3.2Å; C196-C205 WeakPolarHBondContact SG-CA 3.44Å; C196-C205 WeakPolarHBondContact SG-CB 3.05Å; C196-C205 CovalentContact SG-SG 2.04Å; C196-C205 PolarHBondContact SG-SG 2.01Å; F200-C205 HydrophobicContact CB-CB 4.22Å; F200-C205 VanDerWaalsContact CD1-O 3.23Å; F200-C205 WeakPolarHBondContact CD1-O 3.31Å; G202-C205 PolarHBondContact O-N 3.39Å; G202-C205 VanDerWaalsContact O-N 3.13Å |
| 206 | E | 49.4 | Very low | 50.5 | Low | 129 Ų | 129 | 87.8 Ų | 87.8 | 60% | 0.603 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 154.4 | 173.4 | -66.9 | 172.6 | -166.2 | 0 | 0 | 108.9 | F200 T201 F204 G208 | F200-E206 VanDerWaalsContact CA-O 3.26Å; F200-E206 WeakPolarHBondContact CA-O 3.17Å; T201-E206 PolarHBondContact N-O 2.91Å; T201-E206 PolarHBondContact O-N 2.85Å; T201-E206 VanDerWaalsContact O-N 3.14Å; F204-E206 VanDerWaalsContact C-N 3.27Å; F204-E206 HydrophobicContact CB-CG 4.1Å; F204-E206 PolarHBondContact O-N 3.42Å; E206-G208 PolarHBondContact O-N 3.28Å |
| 207 | K | 52.4 | Low | 49.3 | Very low | 174 Ų | 174 | 89.3 Ų | 89.3 | 76% | 0.757 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 110.8 | 175.4 | -173.2 | 174.8 | -176.6 | 175.7 | 0 | 107.1 | F200 K209 | F200-K207 HydrophobicContact CD1-CB 4.17Å; F200-K207 HydrophobicContact CE1-CB 3.97Å; K207-K209 PolarHBondContact O-N 2.04Å; K207-K209 VanDerWaalsContact O-N 3.15Å |
| 208 | G | 49.8 | Very low | 48.3 | Very low | 22 Ų | 22 | 91.3 Ų | 91.3 | 23% | 0.227 | 51% | 0.507 | C | S | . | . | trans | -59.3 | 124.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | G199 E206 S210 | G199-G208 PolarHBondContact O-N 2.91Å; E206-G208 PolarHBondContact O-N 3.28Å; G208-S210 PolarHBondContact O-N 3.13Å | ||
| 209 | K | 41.2 | Very low | 47.2 | Very low | 159 Ų | 159 | 91.6 Ų | 91.6 | 69% | 0.691 | 50% | 0.5 | S | S | * | . | trans | -52.6 | 122.1 | 159.9 | -71.8 | -178.8 | -178.3 | 176.1 | 0 | 104.9 | K207 L211 | K207-K209 PolarHBondContact O-N 2.04Å; K207-K209 VanDerWaalsContact O-N 3.15Å; K209-L211 PolarHBondContact O-N 3.33Å | ||
| 210 | S | 44.3 | Very low | 46.6 | Very low | 61 Ų | 61 | 96.5 Ų | 96.5 | 43% | 0.427 | 51% | 0.505 | S | S | . | . | trans | -44.2 | 136.6 | 176.3 | 162.7 | 0 | 0 | 0 | 0 | 108.6 | G208 I212 T213 H214 | G208-S210 PolarHBondContact O-N 3.13Å; S210-I212 CarbonylContact O-C 3.42Å; S210-I212 PolarHBondContact O-N 3.02Å; S210-I212 WeakPolarHBondContact OG-CB 3.38Å; S210-I212 PolarHBondContact OG-N 2.78Å; S210-T213 WeakPolarHBondContact O-CA 3.43Å; S210-T213 WeakPolarHBondContact O-CB 3.44Å; S210-T213 PolarHBondContact O-N 3.35Å; S210-H214 PolarHBondContact O-N 3.21Å | ||
| 211 | L | 46.8 | Very low | 46 | Very low | 142 Ų | 142 | 97.8 Ų | 97.8 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -46.3 | -31.4 | 173 | -97.2 | 149 | 0 | 0 | 0 | 111.4 | K209 H214 L215 | K209-L211 PolarHBondContact O-N 3.33Å; L211-H214 PolarHBondContact O-N 2.76Å; L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 2.98Å; L211-L215 WeakPolarHBondContact O-CD1 3.4Å; L211-L215 WeakPolarHBondContact O-CG 3.39Å; L211-L215 PolarHBondContact O-N 2.96Å |
| 212 | I | 48.9 | Very low | 44.8 | Very low | 113 Ų | 113 | 96.9 Ų | 96.9 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -45.4 | 174.5 | -55.2 | 175.3 | 0 | 0 | 0 | 111.7 | S210 H214 L215 I216 | S210-I212 CarbonylContact O-C 3.42Å; S210-I212 PolarHBondContact O-N 3.02Å; S210-I212 WeakPolarHBondContact OG-CB 3.38Å; S210-I212 PolarHBondContact OG-N 2.78Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.22Å; I212-L215 PolarHBondContact O-N 2.05Å; I212-I216 HydrophobicContact CG2-CD1 3.79Å; I212-I216 HydrophobicContact CG2-CG1 4.38Å; I212-I216 WeakPolarHBondContact O-CB 3.16Å; I212-I216 WeakPolarHBondContact O-CG1 3.38Å; I212-I216 PolarHBondContact O-N 3.46Å |
| 213 | T | 44 | Very low | 44.1 | Very low | 79 Ų | 79 | 100 Ų | 100 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -34.9 | 177.7 | -37.4 | 0 | 0 | 0 | 0 | 111.3 | S210 S217 | S210-T213 WeakPolarHBondContact O-CA 3.43Å; S210-T213 WeakPolarHBondContact O-CB 3.44Å; S210-T213 PolarHBondContact O-N 3.35Å; T213-S217 WeakPolarHBondContact O-CB 3.35Å; T213-S217 PolarHBondContact O-N 2.94Å |
| 214 | H | 38.5 | Very low | 43.3 | Very low | 102 Ų | 102 | 100.2 Ų | 100.2 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.7 | -39.2 | 176.1 | -131.7 | -2.6 | 0 | 0 | 0 | 112.2 | S210 L211 I212 S217 F218 | S210-H214 PolarHBondContact O-N 3.21Å; L211-H214 PolarHBondContact O-N 2.76Å; I212-H214 VanDerWaalsContact C-N 3.29Å; I212-H214 PolarHBondContact O-N 3.22Å; H214-S217 WeakPolarHBondContact O-CB 3.38Å; H214-S217 PolarHBondContact O-N 2.72Å; H214-F218 WeakPolarHBondContact O-CB 3.39Å; H214-F218 PolarHBondContact O-N 3.28Å |
| 215 | L | 39.5 | Very low | 42.3 | Very low | 94 Ų | 94 | 105 Ų | 105 | 49% | 0.492 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 171.9 | -83.6 | 160.3 | 0 | 0 | 0 | 112 | L211 I212 S217 F218 M219 | L211-L215 VanDerWaalsContact O-CB 3.28Å; L211-L215 WeakPolarHBondContact O-CB 2.98Å; L211-L215 WeakPolarHBondContact O-CD1 3.4Å; L211-L215 WeakPolarHBondContact O-CG 3.39Å; L211-L215 PolarHBondContact O-N 2.96Å; I212-L215 PolarHBondContact O-N 2.05Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 3.31Å; L215-F218 PolarHBondContact O-N 2.89Å; L215-M219 WeakPolarHBondContact O-CB 3.45Å; L215-M219 VanDerWaalsContact O-CG 3.28Å; L215-M219 WeakPolarHBondContact O-CG 3.47Å; L215-M219 PolarHBondContact O-N 3.15Å |
| 216 | I | 48.2 | Very low | 41.1 | Very low | 86 Ų | 86 | 112.6 Ų | 112.6 | 44% | 0.441 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.9 | -41.1 | 174.2 | -68.5 | 166.6 | 0 | 0 | 0 | 110.4 | I212 K220 | I212-I216 HydrophobicContact CG2-CD1 3.79Å; I212-I216 HydrophobicContact CG2-CG1 4.38Å; I212-I216 WeakPolarHBondContact O-CB 3.16Å; I212-I216 WeakPolarHBondContact O-CG1 3.38Å; I212-I216 PolarHBondContact O-N 3.46Å; I216-K220 HydrophobicContact CG2-CD 4.36Å; I216-K220 WeakPolarHBondContact O-CB 3.31Å; I216-K220 WeakPolarHBondContact O-CG 3.33Å; I216-K220 PolarHBondContact O-N 2.75Å |
| 217 | S | 35.7 | Very low | 40.1 | Very low | 61 Ų | 61 | 111.1 Ų | 111.1 | 43% | 0.427 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.7 | -44.3 | 174.4 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | T213 H214 L215 K220 T221 | T213-S217 WeakPolarHBondContact O-CB 3.35Å; T213-S217 PolarHBondContact O-N 2.94Å; H214-S217 WeakPolarHBondContact O-CB 3.38Å; H214-S217 PolarHBondContact O-N 2.72Å; L215-S217 VanDerWaalsContact C-N 3.33Å; L215-S217 PolarHBondContact O-N 3.31Å; S217-K220 PolarHBondContact O-N 3Å; S217-T221 PolarHBondContact O-N 2.88Å; S217-T221 PolarHBondContact O-OG1 3.28Å |
| 218 | F | 34.9 | Very low | 38.9 | Very low | 132 Ų | 132 | 110.9 Ų | 110.9 | 58% | 0.579 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -48.1 | 177.9 | -116.1 | -89.2 | 0 | 0 | 0 | 111.3 | H214 L215 K220 T221 S222 | H214-F218 WeakPolarHBondContact O-CB 3.39Å; H214-F218 PolarHBondContact O-N 3.28Å; L215-F218 PolarHBondContact O-N 2.89Å; F218-K220 VanDerWaalsContact C-N 3.32Å; F218-K220 PolarHBondContact O-N 3.16Å; F218-T221 WeakPolarHBondContact CA-OG1 3.31Å; F218-T221 CarbonylContact O-C 3.54Å; F218-T221 PolarHBondContact O-N 3.32Å; F218-T221 VanDerWaalsContact O-N 3.12Å; F218-T221 PolarHBondContact O-OG1 3.48Å; F218-S222 WeakPolarHBondContact O-CB 3.29Å; F218-S222 PolarHBondContact O-N 3.02Å; F218-S222 PolarHBondContact O-OG 3.22Å |
| 219 | M | 38.1 | Very low | 37.9 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 61% | 0.611 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.3 | -39.3 | 176.2 | -72.8 | -178 | 176 | 0 | 0 | 111.7 | L215 S222 V223 | L215-M219 WeakPolarHBondContact O-CB 3.45Å; L215-M219 VanDerWaalsContact O-CG 3.28Å; L215-M219 WeakPolarHBondContact O-CG 3.47Å; L215-M219 PolarHBondContact O-N 3.15Å; M219-S222 PolarHBondContact O-N 2.71Å; M219-V223 VanDerWaalsContact O-CG2 3.22Å; M219-V223 WeakPolarHBondContact O-CG2 3.34Å; M219-V223 PolarHBondContact O-N 2.98Å; M219-V223 VanDerWaalsContact O-N 3.12Å |
| 220 | K | 42.2 | Very low | 37.2 | Very low | 161 Ų | 161 | 114.4 Ų | 114.4 | 70% | 0.7 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.3 | -36.4 | 173.9 | -78.6 | -175.6 | 177.1 | -172.5 | 0 | 113 | I216 S217 F218 | I216-K220 HydrophobicContact CG2-CD 4.36Å; I216-K220 WeakPolarHBondContact O-CB 3.31Å; I216-K220 WeakPolarHBondContact O-CG 3.33Å; I216-K220 PolarHBondContact O-N 2.75Å; S217-K220 PolarHBondContact O-N 3Å; F218-K220 VanDerWaalsContact C-N 3.32Å; F218-K220 PolarHBondContact O-N 3.16Å |
| 221 | T | 42.4 | Very low | 36.5 | Very low | 96 Ų | 96 | 119.4 Ų | 119.4 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.6 | -26.9 | 174.6 | 39.1 | 0 | 0 | 0 | 0 | 113.5 | S217 F218 | S217-T221 PolarHBondContact O-N 2.88Å; S217-T221 PolarHBondContact O-OG1 3.28Å; F218-T221 WeakPolarHBondContact CA-OG1 3.31Å; F218-T221 CarbonylContact O-C 3.54Å; F218-T221 PolarHBondContact O-N 3.32Å; F218-T221 VanDerWaalsContact O-N 3.12Å; F218-T221 PolarHBondContact O-OG1 3.48Å |
| 222 | S | 37.3 | Very low | 35.7 | Very low | 74 Ų | 74 | 118.4 Ų | 118.4 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -89.2 | -12.4 | -177.8 | -56.1 | 0 | 0 | 0 | 0 | 114.6 | F218 M219 V224 | F218-S222 WeakPolarHBondContact O-CB 3.29Å; F218-S222 PolarHBondContact O-N 3.02Å; F218-S222 PolarHBondContact O-OG 3.22Å; M219-S222 PolarHBondContact O-N 2.71Å; S222-V224 VanDerWaalsContact C-N 3.31Å |
| 223 | V | 36.8 | Very low | 34.9 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 74% | 0.739 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -86.9 | -1.8 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 112.5 | M219 | M219-V223 VanDerWaalsContact O-CG2 3.22Å; M219-V223 WeakPolarHBondContact O-CG2 3.34Å; M219-V223 PolarHBondContact O-N 2.98Å; M219-V223 VanDerWaalsContact O-N 3.12Å |
| 224 | V | 34.2 | Very low | 34.3 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 62% | 0.618 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -101.2 | 117.7 | 169 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | S222 | S222-V224 VanDerWaalsContact C-N 3.31Š|
| 225 | Q | 31.7 | Very low | 33.8 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | 85.2 | 64.2 | 178.8 | -60.2 | 161.3 | -47.4 | 0 | 0 | 116.2 | ||||
| 226 | L | 27 | Very low | 33.4 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -81.8 | 114.1 | 132.7 | -116.8 | 85.4 | 0 | 0 | 0 | 107 | L228 | L226-L228 PolarHBondContact O-N 2.84Š| ||
| 227 | P | 29 | Very low | 32.7 | Very low | 98 Ų | 98 | 133 Ų | 133 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -64.6 | 135.9 | 172.7 | -3 | 15.7 | 0 | 0 | 0 | 108.9 | L229 | P227-L229 PolarHBondContact O-N 3.48Š| ||
| 228 | L | 26.8 | Very low | 32.5 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | trans | -57.2 | 83.8 | 163.9 | -81.2 | 145.4 | 0 | 0 | 0 | 109.4 | L226 C230 | L226-L228 PolarHBondContact O-N 2.84Å; L228-C230 PolarHBondContact O-N 2.83Å; L228-C230 VanDerWaalsContact O-N 3.09Å | ||
| 229 | L | 28.9 | Very low | 32.3 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -80.1 | 82.5 | 161.9 | -92.4 | 153.3 | 0 | 0 | 0 | 107.2 | P227 H231 | P227-L229 PolarHBondContact O-N 3.48Å; L229-H231 VanDerWaalsContact C-N 3.29Å; L229-H231 PolarHBondContact O-N 3.33Å | ||
| 230 | C | 25.7 | Very low | 32.3 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | -52.9 | 96.5 | 152.1 | -77.8 | 0 | 0 | 0 | 0 | 108.1 | L228 | L228-C230 PolarHBondContact O-N 2.83Å; L228-C230 VanDerWaalsContact O-N 3.09Å | ||
| 231 | H | 30.7 | Very low | 31.9 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -132.9 | 105.9 | 152.8 | -98.8 | 30 | 0 | 0 | 0 | 108.7 | L229 I233 | L229-H231 VanDerWaalsContact C-N 3.29Å; L229-H231 PolarHBondContact O-N 3.33Å; H231-I233 PolarHBondContact O-N 2.81Å | ||
| 232 | S | 28.7 | Very low | 31.3 | Very low | 122 Ų | 122 | 153.1 Ų | 153.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -48.5 | 115.2 | 168.5 | -27.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 233 | I | 32 | Very low | 31 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -119.5 | 114.9 | 158.7 | -62.2 | 179.6 | 0 | 0 | 0 | 106.4 | H231 | H231-I233 PolarHBondContact O-N 2.81Š| ||
| 234 | Q | 32.2 | Very low | 30.6 | Very low | 181 Ų | 181 | 159.5 Ų | 159.5 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -58.6 | 139.6 | -177.4 | -74.2 | 169.3 | -61.5 | 0 | 0 | 111.5 | T236 | Q234-T236 PolarHBondContact O-N 3.17Š| ||
| 235 | M | 26.9 | Very low | 30.4 | Very low | 168 Ų | 168 | 163.1 Ų | 163.1 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | trans | -55.5 | 126.3 | 163.4 | -67.7 | 175.3 | -154.5 | 0 | 0 | 110.3 | I237 | M235-I237 HydrophobicContact CB-CG1 4.49Å; M235-I237 HydrophobicContact SD-CD1 4.48Å | ||
| 236 | T | 32.1 | Very low | 30.3 | Very low | 138 Ų | 138 | 162.7 Ų | 162.7 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -113.5 | 100.3 | 151 | -50.7 | 0 | 0 | 0 | 0 | 107 | Q234 T238 | Q234-T236 PolarHBondContact O-N 3.17Å; T236-T238 PolarHBondContact O-N 3.29Å | ||
| 237 | I | 32.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 162.8 Ų | 162.8 | 66% | 0.662 | 83% | 0.827 | S | S | * | * | trans | -69.2 | 122.4 | 175 | -70.7 | 168.1 | 0 | 0 | 0 | 108.5 | M235 R239 | M235-I237 HydrophobicContact CB-CG1 4.49Å; M235-I237 HydrophobicContact SD-CD1 4.48Å; I237-R239 PolarHBondContact O-N 3.44Å | ||
| 238 | T | 31.4 | Very low | 30.7 | Very low | 136 Ų | 136 | 167.8 Ų | 167.8 | 83% | 0.834 | 84% | 0.842 | S | S | * | * | trans | -64.4 | 124.8 | 166.8 | -28.1 | 0 | 0 | 0 | 0 | 109.2 | T236 | T236-T238 PolarHBondContact O-N 3.29Š| ||
| 239 | R | 32.5 | Very low | 31 | Very low | 233 Ų | 233 | 167.6 Ų | 167.6 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | trans | -113.6 | 116.4 | 167.7 | -90.2 | -171.7 | 174.1 | -173.8 | -0 | 109.4 | I237 | I237-R239 PolarHBondContact O-N 3.44Š| ||
| 240 | R | 38.3 | Very low | 31.2 | Very low | 320 Ų | 320 | 169.5 Ų | 169.5 | 100% | 1.208 | 84% | 0.844 | S | S | * | * | trans | 68.3 | 0 | 167.9 | -71.3 | -174.5 | 178.1 | -176.3 | -0.7 | 117.2 |
Retrieved 240 of 240 residues in 47.8 ms
(Link to these results)