| 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 | 62.4 | Low | 91.5 | Very high | 205 Ų | 205 | 33.1 Ų | 33.1 | 100% | 1.01 | 17% | 0.171 | S | C | * | . | 0 | 129.3 | 0 | -65.6 | -176.2 | -148.4 | 0 | 0 | 108.3 | M47 | M1-M47 HydrophobicContact SD-CG 4.37Š| |||
| 2 | A | 85.8 | Confident | 91.9 | Very high | 43 Ų | 43 | 30.4 Ų | 30.4 | 36% | 0.355 | 16% | 0.157 | S | C | . | . | trans | -83.1 | 148.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q190 | A2-Q190 VanDerWaalsContact CB-CD 3.48Å; A2-Q190 HydrophobicContact CB-CG 3.76Å; A2-Q190 VanDerWaalsContact CB-NE2 3.32Å | ||
| 3 | Y | 91.1 | Very high | 92.3 | Very high | 51 Ų | 51 | 28.2 Ų | 28.2 | 20% | 0.2 | 15% | 0.146 | C | C | . | . | trans | -133.7 | 154.6 | 175.8 | 50.6 | -92.4 | 0 | 0 | 0 | 108.9 | Y5 L6 Q54 K56 G188 | Y3-Y5 WeakPolarHBondContact CD2-O 3.44Å; Y3-L6 HydrophobicContact CD2-CB 4.14Å; Y3-L6 HydrophobicContact CE2-CB 3.66Å; Y3-L6 HydrophobicContact CE2-CD1 4.38Å; Y3-Q54 CarbonylContact C-O 3.55Å; Y3-Q54 WeakPolarHBondContact CA-O 3.15Å; Y3-Q54 WeakPolarHBondContact CB-O 2.96Å; Y3-K56 HydrophobicContact CD1-CB 4.03Å; Y3-K56 HydrophobicContact CD1-CD 4.12Å; Y3-K56 HydrophobicContact CD2-CB 4.44Å; Y3-K56 HydrophobicContact CE1-CD 3.99Å; Y3-K56 HydrophobicContact CG-CB 4Å; Y3-G188 VanDerWaalsContact CE2-CA 3.42Å; Y3-G188 CarbonylContact O-C 3.54Å; Y3-G188 VanDerWaalsContact O-CA 3.26Å; Y3-G188 WeakPolarHBondContact O-CA 3.49Å | ||
| 4 | A | 92.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 28 Ų | 28 | 5% | 0.05 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -80.6 | -41.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111 | K53 Q54 G188 | A4-K53 HydrophobicContact CB-CB 4.04Å; A4-K53 HydrophobicContact CB-CD 4.26Å; A4-K53 HydrophobicContact CB-CG 4.36Å; A4-Q54 PolarHBondContact N-O 3.12Å; A4-G188 PolarHBondContact O-N 3.03Å |
| 5 | Y | 94.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.6 | 178.8 | -58.3 | -81.4 | 0 | 0 | 0 | 111.5 | Y3 F7 K53 I55 K56 Y168 I171 I185 K186 H191 | Y3-Y5 WeakPolarHBondContact CD2-O 3.44Å; Y5-F7 HydrophobicContact CG-CE1 4.15Å; Y5-K53 HydrophobicContact CE2-CD 4.18Å; Y5-I55 WeakPolarHBondContact O-CA 3.32Å; Y5-K56 PolarHBondContact O-N 3.21Å; Y5-Y168 HydrophobicContact CD2-CD2 4.38Å; Y5-Y168 HydrophobicContact CD2-CE2 4.33Å; Y5-Y168 HydrophobicContact CE2-CD2 4.28Å; Y5-Y168 AromaticContact CE2-CE2 3.88Å; Y5-Y168 HydrophobicContact CE2-CE2 3.88Å; Y5-I171 HydrophobicContact CD1-CD1 4.46Å; Y5-I171 HydrophobicContact CE1-CG2 4.39Å; Y5-I185 HydrophobicContact CD1-CG2 4.12Å; Y5-K186 CarbonylContact C-O 3.52Å; Y5-K186 WeakPolarHBondContact CA-O 3.44Å; Y5-H191 AromaticContact CE2-CD2 3.77Å; Y5-H191 AromaticContact CE2-NE2 3.69Å; Y5-H191 AromaticContact CZ-CD2 3.58Å; Y5-H191 AromaticContact CZ-NE2 3.52Å; Y5-H191 PolarHBondContact OH-NE2 2.79Å |
| 6 | L | 95.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.4 | 166.6 | 177.6 | 163.2 | 0 | 0 | 0 | 108.2 | Y3 K56 Q58 I185 K186 | Y3-L6 HydrophobicContact CD2-CB 4.14Å; Y3-L6 HydrophobicContact CE2-CB 3.66Å; Y3-L6 HydrophobicContact CE2-CD1 4.38Å; L6-K56 CarbonylContact C-O 3.52Å; L6-K56 VanDerWaalsContact CA-O 3.25Å; L6-K56 WeakPolarHBondContact CA-O 3.46Å; L6-K56 HydrophobicContact CB-CB 4.41Å; L6-K56 HydrophobicContact CD1-CD 4.33Å; L6-K56 HydrophobicContact CG-CB 4.45Å; L6-Q58 HydrophobicContact CD1-CG 4.16Å; L6-Q58 HydrophobicContact CD2-CB 4.46Å; L6-Q58 HydrophobicContact CD2-CG 4.19Å; L6-Q58 HydrophobicContact CG-CG 4.17Å; L6-I185 WeakPolarHBondContact O-CA 3.16Å; L6-K186 HydrophobicContact CB-CB 4.26Å; L6-K186 PolarHBondContact N-O 3.28Å; L6-K186 PolarHBondContact O-N 2.9Å |
| 7 | F | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.9 | 175.7 | -59.4 | -20.8 | 0 | 0 | 0 | 110.3 | Y5 Y9 I55 K56 L57 Q58 A164 I167 I171 I185 | Y5-F7 HydrophobicContact CG-CE1 4.15Å; F7-Y9 HydrophobicContact CB-CD1 4.21Å; F7-Y9 HydrophobicContact CB-CE1 3.85Å; F7-I55 HydrophobicContact CD2-CG2 3.69Å; F7-I55 HydrophobicContact CE2-CD1 3.9Å; F7-I55 HydrophobicContact CE2-CG2 3.79Å; F7-I55 HydrophobicContact CG-CG2 4.08Å; F7-I55 HydrophobicContact CZ-CD1 4.04Å; F7-I55 HydrophobicContact CZ-CG2 4.24Å; F7-K56 PolarHBondContact N-O 3.4Å; F7-L57 HydrophobicContact CB-CD2 3.96Å; F7-L57 HydrophobicContact CD2-CD2 4.07Å; F7-L57 HydrophobicContact CG-CD2 4.44Å; F7-Q58 PolarHBondContact O-N 3.11Å; F7-A164 HydrophobicContact CD2-CB 4.29Å; F7-A164 HydrophobicContact CE2-CB 4.41Å; F7-I167 HydrophobicContact CD1-CG2 4.08Å; F7-I167 HydrophobicContact CD2-CB 4.2Å; F7-I167 HydrophobicContact CD2-CD1 4.29Å; F7-I167 HydrophobicContact CD2-CG2 3.91Å; F7-I167 HydrophobicContact CE1-CG2 3.88Å; F7-I167 HydrophobicContact CE2-CB 3.95Å; F7-I167 HydrophobicContact CE2-CG2 3.68Å; F7-I167 HydrophobicContact CG-CG2 4.12Å; F7-I167 HydrophobicContact CZ-CB 4.37Å; F7-I167 HydrophobicContact CZ-CG2 3.68Å; F7-I171 HydrophobicContact CE1-CD1 3.5Å; F7-I171 HydrophobicContact CZ-CD1 3.63Å; F7-I185 HydrophobicContact CD1-CB 4.42Å; F7-I185 HydrophobicContact CD1-CG1 3.88Å; F7-I185 HydrophobicContact CD1-CG2 4.16Å; F7-I185 HydrophobicContact CE1-CG1 4.05Å; F7-I185 HydrophobicContact CE1-CG2 3.93Å |
| 8 | K | 96.7 | Very high | 93.1 | Very high | 35 Ų | 35 | 25 Ų | 25 | 15% | 0.152 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.7 | 171.5 | 175.3 | 172.3 | 156.7 | -164.4 | 0 | 110 | Q58 Y75 R77 G78 A80 G81 G184 | K8-Q58 CarbonylContact C-O 3.56Å; K8-Q58 WeakPolarHBondContact CA-O 3.25Å; K8-Y75 VanDerWaalsContact CE-O 3.26Å; K8-Y75 WeakPolarHBondContact CE-O 3.47Å; K8-Y75 PolarHBondContact NZ-O 2.88Å; K8-R77 PolarHBondContact NZ-O 2.93Å; K8-G78 WeakPolarHBondContact CB-O 3.45Å; K8-G78 VanDerWaalsContact CD-O 3.26Å; K8-G78 WeakPolarHBondContact CD-O 3.39Å; K8-A80 PolarHBondContact O-N 2.72Å; K8-G81 PolarHBondContact O-N 3.29Å; K8-G184 PolarHBondContact N-O 3.42Å |
| 9 | Y | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 152.4 | 176.1 | -81.3 | 27.6 | 0 | 0 | 0 | 110.6 | F7 L57 Q58 I59 W60 G81 F160 T163 A164 I167 | F7-Y9 HydrophobicContact CB-CD1 4.21Å; F7-Y9 HydrophobicContact CB-CE1 3.85Å; Y9-L57 HydrophobicContact CE1-CD2 4Å; Y9-L57 HydrophobicContact CE2-CD1 4.17Å; Y9-Q58 PolarHBondContact N-O 3.46Å; Y9-I59 HydrophobicContact CD2-CG1 4.41Å; Y9-I59 HydrophobicContact CG-CG1 4.43Å; Y9-W60 PolarHBondContact O-N 3.41Å; Y9-G81 VanDerWaalsContact CA-O 3.27Å; Y9-G81 WeakPolarHBondContact CA-O 3.17Å; Y9-F160 HydrophobicContact CD2-CD1 4.17Å; Y9-F160 HydrophobicContact CE2-CD1 4.33Å; Y9-F160 PolarHBondContact OH-O 3.3Å; Y9-T163 HydrophobicContact CE1-CG2 4.35Å; Y9-T163 HydrophobicContact CE2-CG2 3.74Å; Y9-T163 WeakPolarHBondContact OH-CB 3.31Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.4Å; Y9-A164 WeakPolarHBondContact OH-CA 3.27Å; Y9-A164 WeakPolarHBondContact OH-CB 3.22Å; Y9-A164 PolarHBondContact OH-N 2.94Å; Y9-I167 HydrophobicContact CD1-CD1 4.4Å; Y9-I167 HydrophobicContact CE1-CD1 3.44Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.44Å |
| 10 | I | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 146.6 | 167 | 60.8 | 178.6 | 0 | 0 | 0 | 109.4 | I12 W60 Y75 Y76 A79 G81 A82 L83 M112 | I10-I12 HydrophobicContact CD1-CG2 4.14Å; I10-I12 HydrophobicContact CG1-CG2 4.32Å; I10-W60 CarbonylContact C-O 3.6Å; I10-W60 WeakPolarHBondContact CA-O 3.19Å; I10-W60 HydrophobicContact CG2-CB 4.26Å; I10-Y75 WeakPolarHBondContact CG2-O 3.4Å; I10-Y76 HydrophobicContact CD1-CD1 3.16Å; I10-Y76 HydrophobicContact CD1-CE1 3.49Å; I10-Y76 VanDerWaalsContact CD1-CE1 3.49Å; I10-Y76 HydrophobicContact CD1-CG 4.26Å; I10-A79 HydrophobicContact CD1-CB 4.05Å; I10-A79 HydrophobicContact CG1-CB 4.14Å; I10-A79 HydrophobicContact CG2-CB 3.98Å; I10-G81 PolarHBondContact N-O 3.31Å; I10-G81 VanDerWaalsContact N-O 3.11Å; I10-A82 HydrophobicContact CD1-CB 3.99Å; I10-A82 HydrophobicContact CG1-CB 3.61Å; I10-A82 CarbonylContact O-C 3.54Å; I10-A82 WeakPolarHBondContact O-CA 3.11Å; I10-L83 PolarHBondContact O-N 2.84Å; I10-M112 HydrophobicContact CD1-SD 4.41Å |
| 11 | I | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.2 | 170.7 | -44.7 | -178 | 0 | 0 | 0 | 107.8 | K19 L23 I59 W60 T62 L83 V85 F160 | I11-K19 HydrophobicContact CB-CB 4.38Å; I11-K19 HydrophobicContact CG2-CB 3.63Å; I11-K19 HydrophobicContact CG2-CD 3.93Å; I11-K19 HydrophobicContact CG2-CG 3.76Å; I11-L23 HydrophobicContact CD1-CB 3.91Å; I11-I59 HydrophobicContact CD1-CG2 3.72Å; I11-I59 HydrophobicContact CG1-CG2 3.67Å; I11-W60 PolarHBondContact N-O 3.35Å; I11-T62 PolarHBondContact O-N 3.34Å; I11-T62 PolarHBondContact O-OG1 3.18Å; I11-L83 WeakPolarHBondContact CA-O 3.3Å; I11-L83 HydrophobicContact CD1-CD1 4.47Å; I11-L83 HydrophobicContact CG1-CB 4.37Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.09Å; I11-V85 HydrophobicContact CG2-CG2 3.63Å; I11-F160 HydrophobicContact CD1-CE1 4.3Å; I11-F160 HydrophobicContact CD1-CZ 4.02Å |
| 12 | I | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 162.9 | -174.7 | 62.8 | 176.4 | 0 | 0 | 0 | 111 | I10 K19 T72 Y76 L83 L84 V85 W100 A104 | I10-I12 HydrophobicContact CD1-CG2 4.14Å; I10-I12 HydrophobicContact CG1-CG2 4.32Å; I12-K19 VanDerWaalsContact C-CD 3.45Å; I12-T72 HydrophobicContact CG2-CG2 4.12Å; I12-Y76 HydrophobicContact CD1-CE1 3.89Å; I12-Y76 HydrophobicContact CG2-CE1 3.86Å; I12-L83 PolarHBondContact N-O 3.34Å; I12-L84 HydrophobicContact CD1-CB 4.45Å; I12-L84 HydrophobicContact CD1-CD1 3.98Å; I12-L84 HydrophobicContact CG1-CB 4.23Å; I12-L84 HydrophobicContact CG1-CD1 3.81Å; I12-V85 PolarHBondContact O-N 3.15Å; I12-W100 HydrophobicContact CB-CE3 4Å; I12-W100 HydrophobicContact CB-CZ3 4.22Å; I12-A104 HydrophobicContact CD1-CB 3.88Å |
| 13 | G | 96.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.01 | 7% | 0.072 | C | C | . | . | trans | 129.4 | 172.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.1 | K19 G64 W100 | G13-K19 WeakPolarHBondContact O-CE 3.43Å; G13-K19 PolarHBondContact O-NZ 3.49Å; G13-G64 WeakPolarHBondContact O-CA 3.43Å; G13-W100 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 14 | D | 95.4 | Very high | 96 | Very high | 26 Ų | 26 | 11.8 Ų | 11.8 | 14% | 0.139 | 7% | 0.07 | C | C | . | . | trans | -59.4 | 163.7 | -171.9 | -82.7 | 14.4 | 0 | 0 | 0 | 114.3 | V17 K19 T93 H96 W100 | D14-V17 HydrophobicContact CB-CG1 3.72Å; D14-V17 WeakPolarHBondContact O-CG2 3.44Å; D14-K19 PolarHBondContact O-NZ 2.79Å; D14-T93 HydrophobicContact CB-CG2 3.92Å; D14-H96 IonicContact OD1-ND1 3.07Å; D14-H96 IonicContact OD2-CE1 3.4Å; D14-H96 IonicContact OD2-CG 2.7Å; D14-H96 IonicContact OD2-ND1 3.81Å; D14-H96 PolarHBondContact OD2-ND1 3.47Å; D14-W100 PolarHBondContact OD1-NE1 3.43Å | ||
| 15 | T | 93.9 | Very high | 96.2 | Very high | 37 Ų | 37 | 12.1 Ų | 12.1 | 23% | 0.227 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 139.9 | 171.2 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | V17 L37 G64 Q65 R90 | T15-V17 VanDerWaalsContact C-N 3.27Å; T15-V17 PolarHBondContact O-N 3.44Å; T15-L37 HydrophobicContact CG2-CD2 3.39Å; T15-G64 PolarHBondContact N-O 3.38Å; T15-G64 VanDerWaalsContact N-O 3.13Å; T15-G64 PolarHBondContact OG1-O 3.1Å; T15-Q65 HydrophobicContact CG2-CG 4.39Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.26Å; T15-Q65 PolarHBondContact OG1-N 3.18Å; T15-Q65 VanDerWaalsContact OG1-N 3.16Å; T15-R90 PolarHBondContact O-NH1 2.74Å; T15-R90 PolarHBondContact O-NH2 2.95Å |
| 16 | G | 93.9 | Very high | 96.4 | Very high | 15 Ų | 15 | 11.6 Ų | 11.6 | 16% | 0.155 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 1.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | G18 R90 K120 | G16-G18 PolarHBondContact O-N 3.17Å; G16-R90 PolarHBondContact O-NH2 3.2Å; G16-K120 WeakPolarHBondContact O-CE 3.27Å; G16-K120 PolarHBondContact O-NZ 2.86Å |
| 17 | V | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -71.9 | -16.7 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 113 | D14 T15 K19 V85 D87 T93 N119 | D14-V17 HydrophobicContact CB-CG1 3.72Å; D14-V17 WeakPolarHBondContact O-CG2 3.44Å; T15-V17 VanDerWaalsContact C-N 3.27Å; T15-V17 PolarHBondContact O-N 3.44Å; V17-K19 HydrophobicContact CG2-CD 4.28Å; V17-K19 HydrophobicContact CG2-CG 3.57Å; V17-V85 HydrophobicContact CB-CG1 4.22Å; V17-V85 HydrophobicContact CG2-CB 3.87Å; V17-V85 HydrophobicContact CG2-CG1 3.78Å; V17-D87 HydrophobicContact CB-CB 4.3Å; V17-D87 HydrophobicContact CG1-CB 4.12Å; V17-T93 HydrophobicContact CG1-CG2 3.87Å; V17-N119 PolarHBondContact O-ND2 2.91Å |
| 18 | G | 96.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 6% | 0.062 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 102.5 | 25.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G16 C21 L22 | G16-G18 PolarHBondContact O-N 3.17Å; G18-C21 PolarHBondContact O-N 2.84Å; G18-L22 WeakPolarHBondContact O-CG 3.46Å; G18-L22 PolarHBondContact O-N 2.81Å |
| 19 | K | 96.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 20 Ų | 20 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.1 | -54.2 | 177.8 | -56.4 | -169.6 | -60 | -75.1 | 0 | 113.1 | I11 I12 G13 D14 V17 C21 L22 L23 D61 T62 V85 | I11-K19 HydrophobicContact CB-CB 4.38Å; I11-K19 HydrophobicContact CG2-CB 3.63Å; I11-K19 HydrophobicContact CG2-CD 3.93Å; I11-K19 HydrophobicContact CG2-CG 3.76Å; I12-K19 VanDerWaalsContact C-CD 3.45Å; G13-K19 WeakPolarHBondContact O-CE 3.43Å; G13-K19 PolarHBondContact O-NZ 3.49Å; D14-K19 PolarHBondContact O-NZ 2.79Å; V17-K19 HydrophobicContact CG2-CD 4.28Å; V17-K19 HydrophobicContact CG2-CG 3.57Å; K19-C21 VanDerWaalsContact C-N 3.31Å; K19-C21 PolarHBondContact O-N 3.06Å; K19-L22 WeakPolarHBondContact O-CB 3.39Å; K19-L22 PolarHBondContact O-N 2.67Å; K19-L22 VanDerWaalsContact O-N 3.13Å; K19-L23 PolarHBondContact O-N 3.01Å; K19-D61 WeakPolarHBondContact CB-OD1 3.38Å; K19-T62 WeakPolarHBondContact CE-O 3.48Å; K19-V85 HydrophobicContact CG-CB 4.21Å; K19-V85 HydrophobicContact CG-CG2 4.25Å |
| 20 | S | 95.5 | Very high | 96 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 18% | 0.175 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.2 | -37.8 | 177.2 | -37.8 | 0 | 0 | 0 | 0 | 112.1 | L22 L23 L24 T38 D61 | S20-L22 PolarHBondContact O-N 2.91Å; S20-L23 PolarHBondContact O-N 3.42Å; S20-L24 VanDerWaalsContact O-CB 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.47Å; S20-L24 PolarHBondContact O-N 3.12Å; S20-T38 PolarHBondContact OG-OG1 3.02Å; S20-D61 VanDerWaalsContact CA-OD2 3.25Å; S20-D61 WeakPolarHBondContact CA-OD2 3.43Å; S20-D61 WeakPolarHBondContact CB-OD2 3.34Å; S20-D61 PolarHBondContact N-OD2 3.12Å; S20-D61 PolarHBondContact OG-OD2 2.99Å |
| 21 | C | 96.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 31 Ų | 31 | 14% | 0.135 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -38.1 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | G18 K19 Q25 F31 A150 | G18-C21 PolarHBondContact O-N 2.84Å; K19-C21 VanDerWaalsContact C-N 3.31Å; K19-C21 PolarHBondContact O-N 3.06Å; C21-Q25 WeakPolarHBondContact O-CB 3.36Å; C21-Q25 PolarHBondContact O-N 3.42Å; C21-F31 HydrophobicContact CB-CD2 4.37Å; C21-F31 HydrophobicContact CB-CE2 4.24Å; C21-A150 HydrophobicContact CB-CB 3.67Å |
| 22 | L | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 174.2 | -73.9 | 169 | 0 | 0 | 0 | 111 | G18 K19 S20 Q25 F26 V85 I117 N119 A150 V156 | G18-L22 WeakPolarHBondContact O-CG 3.46Å; G18-L22 PolarHBondContact O-N 2.81Å; K19-L22 WeakPolarHBondContact O-CB 3.39Å; K19-L22 PolarHBondContact O-N 2.67Å; K19-L22 VanDerWaalsContact O-N 3.13Å; S20-L22 PolarHBondContact O-N 2.91Å; L22-Q25 PolarHBondContact O-N 3.4Å; L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 3.19Å; L22-V85 HydrophobicContact CD1-CG1 3.81Å; L22-V85 HydrophobicContact CD1-CG2 4.06Å; L22-I117 HydrophobicContact CD1-CD1 4.48Å; L22-I117 HydrophobicContact CD1-CG2 4.12Å; L22-N119 HydrophobicContact CD1-CB 4.33Å; L22-A150 HydrophobicContact CD2-CB 4Å; L22-A150 HydrophobicContact CG-CB 4.25Å; L22-V156 HydrophobicContact CD2-CG1 4.38Å; L22-V156 HydrophobicContact CD2-CG2 3.85Å |
| 23 | L | 97.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.1 | -51.7 | 175.6 | 178.8 | 58.3 | 0 | 0 | 0 | 111 | I11 K19 S20 Q25 F26 T27 I59 D61 | I11-L23 HydrophobicContact CD1-CB 3.91Å; K19-L23 PolarHBondContact O-N 3.01Å; S20-L23 PolarHBondContact O-N 3.42Å; L23-Q25 PolarHBondContact O-N 3.07Å; L23-F26 PolarHBondContact O-N 3.05Å; L23-F26 VanDerWaalsContact O-N 3.16Å; L23-T27 HydrophobicContact CD1-CG2 3.83Å; L23-T27 HydrophobicContact CG-CG2 4.46Å; L23-T27 WeakPolarHBondContact O-CG2 3.26Å; L23-T27 PolarHBondContact O-N 2.88Å; L23-T27 PolarHBondContact O-OG1 3.32Å; L23-I59 HydrophobicContact CD1-CB 3.83Å; L23-I59 HydrophobicContact CD1-CD1 3.84Å; L23-I59 HydrophobicContact CD1-CG1 4.46Å; L23-I59 HydrophobicContact CD1-CG2 3.72Å; L23-D61 HydrophobicContact CD2-CB 3.64Å |
| 24 | L | 95.7 | Very high | 94 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | -179.4 | -176.1 | 67.5 | 0 | 0 | 0 | 112.2 | S20 F26 T27 D28 K29 R30 Q32 | S20-L24 VanDerWaalsContact O-CB 3.31Å; S20-L24 WeakPolarHBondContact O-CB 3.47Å; S20-L24 PolarHBondContact O-N 3.12Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 2.89Å; L24-T27 PolarHBondContact O-N 2.86Å; L24-D28 HydrophobicContact CD1-CB 3.94Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.39Å; L24-D28 WeakPolarHBondContact O-CA 3.39Å; L24-D28 WeakPolarHBondContact O-CB 3.43Å; L24-D28 PolarHBondContact O-N 3.46Å; L24-K29 PolarHBondContact O-N 2.8Å; L24-R30 HydrophobicContact CD2-CB 4.32Å; L24-R30 HydrophobicContact CG-CB 4.23Å; L24-Q32 HydrophobicContact CD2-CB 3.88Å |
| 25 | Q | 97.4 | Very high | 92.9 | Very high | 14 Ų | 14 | 47.6 Ų | 47.6 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.6 | -34.2 | 177.4 | -175.5 | 65.4 | -73.7 | 0 | 0 | 111.2 | C21 L22 L23 K29 R30 A150 A153 V156 | C21-Q25 WeakPolarHBondContact O-CB 3.36Å; C21-Q25 PolarHBondContact O-N 3.42Å; L22-Q25 PolarHBondContact O-N 3.4Å; L23-Q25 PolarHBondContact O-N 3.07Å; Q25-K29 WeakPolarHBondContact O-CA 3.16Å; Q25-K29 PolarHBondContact O-N 3.03Å; Q25-R30 VanDerWaalsContact CA-O 3.31Å; Q25-R30 WeakPolarHBondContact CA-O 3.39Å; Q25-R30 PolarHBondContact N-O 2.9Å; Q25-R30 VanDerWaalsContact OE1-N 3.15Å; Q25-A150 WeakPolarHBondContact CG-O 3.36Å; Q25-A150 PolarHBondContact NE2-O 3.19Å; Q25-A153 HydrophobicContact CG-CB 4.01Å; Q25-V156 HydrophobicContact CB-CG1 4.1Å; Q25-V156 HydrophobicContact CG-CB 4.24Å; Q25-V156 HydrophobicContact CG-CG1 4Å; Q25-V156 HydrophobicContact CG-CG2 4.04Å |
| 26 | F | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.8 | -45.7 | 174.1 | 179.8 | -110.8 | 0 | 0 | 0 | 112.5 | L22 L23 L24 R46 I48 L57 I59 V156 F160 | L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 3.19Å; L23-F26 PolarHBondContact O-N 3.05Å; L23-F26 VanDerWaalsContact O-N 3.16Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 2.89Å; F26-R46 HydrophobicContact CD1-CB 4.39Å; F26-R46 HydrophobicContact CE1-CB 3.69Å; F26-R46 HydrophobicContact CE1-CG 4.16Å; F26-R46 HydrophobicContact CZ-CB 4.23Å; F26-R46 HydrophobicContact CZ-CG 4.28Å; F26-R46 VanDerWaalsContact O-CD 3.29Å; F26-R46 WeakPolarHBondContact O-CD 3.43Å; F26-R46 PolarHBondContact O-NH1 3.08Å; F26-I48 HydrophobicContact CZ-CG2 3.96Å; F26-L57 HydrophobicContact CE1-CD1 4.09Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; F26-I59 HydrophobicContact CD1-CD1 3.76Å; F26-I59 HydrophobicContact CE1-CD1 3.74Å; F26-V156 HydrophobicContact CB-CG1 4.05Å; F26-F160 HydrophobicContact CB-CD2 3.83Å; F26-F160 HydrophobicContact CB-CE2 3.58Å; F26-F160 HydrophobicContact CB-CG 4.41Å; F26-F160 HydrophobicContact CB-CZ 3.99Å; F26-F160 HydrophobicContact CD1-CB 4.41Å; F26-F160 AromaticContact CD1-CD1 3.79Å; F26-F160 HydrophobicContact CD1-CD1 3.79Å; F26-F160 HydrophobicContact CD1-CD2 4.13Å; F26-F160 HydrophobicContact CD1-CE1 4.02Å; F26-F160 HydrophobicContact CD1-CE2 4.34Å; F26-F160 AromaticContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CZ 4.28Å; F26-F160 HydrophobicContact CD2-CB 3.82Å; F26-F160 AromaticContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CE2 4.3Å; F26-F160 AromaticContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CE1-CB 4.1Å; F26-F160 AromaticContact CE1-CD1 3.9Å; F26-F160 HydrophobicContact CE1-CD1 3.9Å; F26-F160 AromaticContact CE1-CG 3.98Å; F26-F160 HydrophobicContact CE1-CG 3.98Å; F26-F160 HydrophobicContact CE2-CB 3.5Å; F26-F160 VanDerWaalsContact CE2-CB 3.5Å; F26-F160 HydrophobicContact CE2-CD2 4.23Å; F26-F160 AromaticContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CG-CB 4.28Å; F26-F160 HydrophobicContact CG-CD1 4.11Å; F26-F160 AromaticContact CG-CD2 3.58Å; F26-F160 HydrophobicContact CG-CD2 3.58Å; F26-F160 HydrophobicContact CG-CE1 4.33Å; F26-F160 AromaticContact CG-CE2 3.83Å; F26-F160 HydrophobicContact CG-CE2 3.83Å; F26-F160 AromaticContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CZ 4.2Å; F26-F160 HydrophobicContact CZ-CB 3.65Å; F26-F160 HydrophobicContact CZ-CD1 4.34Å; F26-F160 HydrophobicContact CZ-CG 4.01Å |
| 27 | T | 95.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 54.6 Ų | 54.6 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -79.1 | -42.5 | -175.4 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | L23 L24 | L23-T27 HydrophobicContact CD1-CG2 3.83Å; L23-T27 HydrophobicContact CG-CG2 4.46Å; L23-T27 WeakPolarHBondContact O-CG2 3.26Å; L23-T27 PolarHBondContact O-N 2.88Å; L23-T27 PolarHBondContact O-OG1 3.32Å; L24-T27 PolarHBondContact O-N 2.86Å |
| 28 | D | 94.5 | Very high | 90.9 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -118.6 | -4.7 | -163.7 | -65.3 | 14.6 | 0 | 0 | 0 | 113.4 | L24 R30 | L24-D28 HydrophobicContact CD1-CB 3.94Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.39Å; L24-D28 WeakPolarHBondContact O-CA 3.39Å; L24-D28 WeakPolarHBondContact O-CB 3.43Å; L24-D28 PolarHBondContact O-N 3.46Å; D28-R30 HydrophobicContact CB-CB 4.43Å; D28-R30 HydrophobicContact CB-CG 4.34Å; D28-R30 PolarHBondContact O-N 2.86Å; D28-R30 IonicContact OD2-CZ 3.85Å; D28-R30 IonicContact OD2-NE 3.48Å; D28-R30 IonicContact OD2-NH2 2.84Å; D28-R30 PolarHBondContact OD2-NH2 3.49Å |
| 29 | K | 95.4 | Very high | 90 | Very high | 110 Ų | 110 | 61.5 Ų | 61.5 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 56.7 | 37.6 | -175 | -54.3 | -65.6 | 169.3 | -166.2 | 0 | 112.8 | L24 Q25 E157 | L24-K29 PolarHBondContact O-N 2.8Å; Q25-K29 WeakPolarHBondContact O-CA 3.16Å; Q25-K29 PolarHBondContact O-N 3.03Å; K29-E157 IonicContact NZ-OE2 2.79Å; K29-E157 PolarHBondContact NZ-OE2 3.03Å |
| 30 | R | 93.4 | Very high | 89 | Confident | 149 Ų | 149 | 61.7 Ų | 61.7 | 56% | 0.562 | 32% | 0.319 | S | S | * | . | trans | -125.7 | 152 | 179.9 | -67.1 | -174.4 | -63 | 153.2 | -0.3 | 111.4 | L24 Q25 D28 | L24-R30 HydrophobicContact CD2-CB 4.32Å; L24-R30 HydrophobicContact CG-CB 4.23Å; Q25-R30 VanDerWaalsContact CA-O 3.31Å; Q25-R30 WeakPolarHBondContact CA-O 3.39Å; Q25-R30 PolarHBondContact N-O 2.9Å; Q25-R30 VanDerWaalsContact OE1-N 3.15Å; D28-R30 HydrophobicContact CB-CB 4.43Å; D28-R30 HydrophobicContact CB-CG 4.34Å; D28-R30 PolarHBondContact O-N 2.86Å; D28-R30 IonicContact OD2-CZ 3.85Å; D28-R30 IonicContact OD2-NE 3.48Å; D28-R30 IonicContact OD2-NH2 2.84Å; D28-R30 PolarHBondContact OD2-NH2 3.49Å | ||
| 31 | F | 91.1 | Very high | 88.5 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | trans | -119 | 128.7 | 171.8 | 177.1 | -107.4 | 0 | 0 | 0 | 110 | C21 P33 A150 K151 | C21-F31 HydrophobicContact CB-CD2 4.37Å; C21-F31 HydrophobicContact CB-CE2 4.24Å; F31-P33 HydrophobicContact CD1-CB 4.49Å; F31-P33 HydrophobicContact CE1-CB 3.9Å; F31-A150 HydrophobicContact CD2-CB 4.22Å; F31-A150 WeakPolarHBondContact CD2-O 3.44Å; F31-A150 HydrophobicContact CE2-CB 4.3Å; F31-K151 HydrophobicContact CD1-CB 4.44Å; F31-K151 HydrophobicContact CD1-CG 4.11Å; F31-K151 HydrophobicContact CD2-CB 4.21Å; F31-K151 HydrophobicContact CE1-CB 4.22Å; F31-K151 HydrophobicContact CE1-CG 3.91Å; F31-K151 HydrophobicContact CE2-CB 3.98Å; F31-K151 HydrophobicContact CG-CB 4.43Å; F31-K151 HydrophobicContact CZ-CB 3.99Å; F31-K151 HydrophobicContact CZ-CG 4.15Å | ||
| 32 | Q | 88.5 | Confident | 88.2 | Confident | 91 Ų | 91 | 66 Ų | 66 | 43% | 0.425 | 34% | 0.336 | S | S | . | . | trans | -104.4 | 112.6 | 174.6 | -174 | 168.8 | -10.5 | 0 | 0 | 109 | L24 D36 | L24-Q32 HydrophobicContact CD2-CB 3.88Å; Q32-D36 PolarHBondContact NE2-OD2 2.83Å | ||
| 33 | P | 82.8 | Confident | 87.9 | Confident | 105 Ų | 105 | 70.9 Ų | 70.9 | 68% | 0.682 | 36% | 0.357 | S | S | * | . | trans | -77 | -24.6 | -177 | 29.4 | -34.3 | 0 | 0 | 0 | 113 | F31 | F31-P33 HydrophobicContact CD1-CB 4.49Å; F31-P33 HydrophobicContact CE1-CB 3.9Å | ||
| 34 | V | 81 | Confident | 87.8 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 56% | 0.564 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -80.8 | 120.6 | 177.9 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | D36 | V34-D36 PolarHBondContact O-N 3.02Š|
| 35 | H | 72.5 | Confident | 87.8 | Confident | 88 Ų | 88 | 71.4 Ų | 71.4 | 41% | 0.407 | 37% | 0.369 | S | S | . | . | trans | -85.4 | 91.7 | 177.8 | -171 | -97.2 | 0 | 0 | 0 | 109.5 | ||||
| 36 | D | 80.2 | Confident | 87.8 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 57% | 0.567 | 38% | 0.377 | S | S | * | . | trans | -76.9 | 134.5 | 164 | -65.2 | -42.3 | 0 | 0 | 0 | 108.5 | Q32 V34 T38 | Q32-D36 PolarHBondContact NE2-OD2 2.83Å; V34-D36 PolarHBondContact O-N 3.02Å; D36-T38 PolarHBondContact O-N 2.93Å | ||
| 37 | L | 84.7 | Confident | 87.7 | Confident | 92 Ų | 92 | 75.9 Ų | 75.9 | 48% | 0.482 | 39% | 0.388 | S | S | . | . | trans | -67 | 120.5 | 176.2 | -71.3 | 171.2 | 0 | 0 | 0 | 109.2 | T15 I39 | T15-L37 HydrophobicContact CG2-CD2 3.39Å; L37-I39 PolarHBondContact O-N 3.31Å; L37-I39 VanDerWaalsContact O-N 3.11Å | ||
| 38 | T | 78.2 | Confident | 87.8 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 8% | 0.08 | 38% | 0.379 | C | S | . | . | trans | -62.6 | 113.6 | 170.8 | -38.4 | 0 | 0 | 0 | 0 | 109.3 | S20 D36 E42 A63 | S20-T38 PolarHBondContact OG-OG1 3.02Å; D36-T38 PolarHBondContact O-N 2.93Å; T38-E42 HydrophobicContact CG2-CG 4.03Å; T38-A63 VanDerWaalsContact O-CB 3.27Å; T38-A63 WeakPolarHBondContact O-CB 3.43Å | ||
| 39 | I | 77.9 | Confident | 87.9 | Confident | 138 Ų | 138 | 74.9 Ų | 74.9 | 71% | 0.708 | 38% | 0.384 | S | S | * | . | trans | -96.8 | 117.3 | 174.2 | -60.6 | 175.8 | 0 | 0 | 0 | 107.8 | L37 V41 F68 | L37-I39 PolarHBondContact O-N 3.31Å; L37-I39 VanDerWaalsContact O-N 3.11Å; I39-V41 PolarHBondContact O-N 3.33Å; I39-F68 HydrophobicContact CG2-CZ 4.2Å | ||
| 40 | G | 75.5 | Confident | 87.9 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 78 | -119.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A63 | G40-A63 WeakPolarHBondContact O-CB 3.34Å; G40-A63 PolarHBondContact O-N 3.39Å |
| 41 | V | 84.3 | Confident | 87.9 | Confident | 33 Ų | 33 | 69 Ų | 69 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 134.4 | -175.7 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | I39 W60 D61 T62 I71 Y75 | I39-V41 PolarHBondContact O-N 3.33Å; V41-W60 HydrophobicContact CG1-CB 3.83Å; V41-W60 HydrophobicContact CG1-CD2 4.38Å; V41-W60 HydrophobicContact CG1-CE3 3.64Å; V41-D61 CarbonylContact C-O 3.5Å; V41-D61 VanDerWaalsContact CA-O 3.22Å; V41-D61 WeakPolarHBondContact CA-O 3.35Å; V41-D61 VanDerWaalsContact CG1-O 3.27Å; V41-D61 WeakPolarHBondContact CG1-O 3.16Å; V41-T62 HydrophobicContact CG1-CG2 4.49Å; V41-T62 HydrophobicContact CG2-CG2 4.23Å; V41-I71 HydrophobicContact CG2-CG2 3.93Å; V41-Y75 HydrophobicContact CB-CE1 4.44Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.31Å; V41-Y75 HydrophobicContact CG1-CE1 4.04Å; V41-Y75 HydrophobicContact CG1-CE2 4.36Å; V41-Y75 HydrophobicContact CG2-CD2 3.65Å; V41-Y75 HydrophobicContact CG2-CE1 4.44Å; V41-Y75 HydrophobicContact CG2-CE2 3.32Å; V41-Y75 HydrophobicContact CG2-CG 4.34Å |
| 42 | E | 90.2 | Very high | 88 | Confident | 101 Ų | 101 | 68.4 Ų | 68.4 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 149.2 | 171.5 | -71.2 | -178.5 | -161.7 | 0 | 0 | 110.9 | T38 W60 D61 | T38-E42 HydrophobicContact CG2-CG 4.03Å; E42-W60 CarbonylContact O-C 3.51Å; E42-W60 WeakPolarHBondContact O-CA 3.49Å; E42-D61 HydrophobicContact CB-CB 4.23Å; E42-D61 PolarHBondContact N-O 3Å; E42-D61 PolarHBondContact O-N 2.89Å |
| 43 | F | 92.6 | Very high | 88.2 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 46% | 0.456 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.8 | -178.4 | 175 | -95.3 | 0 | 0 | 0 | 110.9 | A45 Q58 I59 W60 | F43-A45 HydrophobicContact CE1-CB 3.92Å; F43-A45 HydrophobicContact CZ-CB 3.87Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.92Å; F43-Q58 HydrophobicContact CZ-CB 4.29Å; F43-Q58 HydrophobicContact CZ-CG 3.88Å; F43-I59 WeakPolarHBondContact CA-O 3.29Å; F43-W60 HydrophobicContact CB-CE3 4.36Å; F43-W60 HydrophobicContact CB-CZ3 4.39Å; F43-W60 HydrophobicContact CD2-CD2 4.12Å; F43-W60 HydrophobicContact CD2-CE3 4.16Å; F43-W60 HydrophobicContact CD2-CH2 4.25Å; F43-W60 HydrophobicContact CD2-CZ2 4.13Å; F43-W60 HydrophobicContact CD2-CZ3 4.24Å; F43-W60 HydrophobicContact CE2-CZ2 4.43Å |
| 44 | G | 94.5 | Very high | 88.8 | Confident | 9 Ų | 9 | 65 Ų | 65 | 9% | 0.093 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I59 | G44-I59 PolarHBondContact N-O 3.45Å; G44-I59 PolarHBondContact O-N 3.49Å |
| 45 | A | 96.3 | Very high | 89.5 | Confident | 44 Ų | 44 | 60.6 Ų | 60.6 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 138.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | F43 L57 | F43-A45 HydrophobicContact CE1-CB 3.92Å; F43-A45 HydrophobicContact CZ-CB 3.87Å; A45-L57 WeakPolarHBondContact CA-O 3.36Å; A45-L57 WeakPolarHBondContact CB-O 3.39Å |
| 46 | R | 96.2 | Very high | 90.7 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.5 | 177.1 | -170.6 | 163.4 | 173.1 | -138.8 | -13.6 | 111.1 | F26 L57 E157 | F26-R46 HydrophobicContact CD1-CB 4.39Å; F26-R46 HydrophobicContact CE1-CB 3.69Å; F26-R46 HydrophobicContact CE1-CG 4.16Å; F26-R46 HydrophobicContact CZ-CB 4.23Å; F26-R46 HydrophobicContact CZ-CG 4.28Å; F26-R46 VanDerWaalsContact O-CD 3.29Å; F26-R46 WeakPolarHBondContact O-CD 3.43Å; F26-R46 PolarHBondContact O-NH1 3.08Å; R46-L57 PolarHBondContact N-O 2.83Å; R46-L57 VanDerWaalsContact N-O 3.08Å; R46-L57 PolarHBondContact O-N 3.44Å; R46-E157 IonicContact CZ-OE1 3.62Å; R46-E157 VanDerWaalsContact CZ-OE1 3.24Å; R46-E157 IonicContact CZ-OE2 3.6Å; R46-E157 VanDerWaalsContact NH1-CD 3.27Å; R46-E157 IonicContact NH1-OE1 3.43Å; R46-E157 PolarHBondContact NH1-OE1 2.75Å; R46-E157 IonicContact NH1-OE2 3.63Å; R46-E157 PolarHBondContact NH1-OE2 2.67Å; R46-E157 IonicContact NH2-OE1 3.49Å; R46-E157 PolarHBondContact NH2-OE1 2.73Å; R46-E157 IonicContact NH2-OE2 2.71Å; R46-E157 PolarHBondContact NH2-OE2 3.11Å |
| 47 | M | 96.8 | Very high | 91.6 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 24% | 0.236 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 132.2 | 171.6 | -65.5 | -66.3 | -56.3 | 0 | 0 | 109.1 | M1 Q54 I55 K56 | M1-M47 HydrophobicContact SD-CG 4.37Å; M47-Q54 HydrophobicContact CE-CB 3.71Å; M47-Q54 HydrophobicContact CE-CG 4.47Å; M47-I55 WeakPolarHBondContact CA-O 3.46Å; M47-K56 HydrophobicContact SD-CB 3.61Å; M47-K56 HydrophobicContact SD-CD 4.29Å; M47-K56 HydrophobicContact SD-CG 3.83Å |
| 48 | I | 96.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 166.2 | 172.5 | 63.7 | 167.4 | 0 | 0 | 0 | 109.8 | F26 I50 I55 L57 I161 A164 | F26-I48 HydrophobicContact CZ-CG2 3.96Å; I48-I50 HydrophobicContact CD1-CD1 3.79Å; I48-I50 HydrophobicContact CD1-CG1 4.22Å; I48-I55 HydrophobicContact CG1-CB 4.05Å; I48-I55 HydrophobicContact CG1-CG2 4.48Å; I48-I55 PolarHBondContact N-O 2.98Å; I48-I55 PolarHBondContact O-N 3.14Å; I48-L57 HydrophobicContact CD1-CD1 3.92Å; I48-L57 HydrophobicContact CD1-CD2 4.13Å; I48-L57 HydrophobicContact CD1-CG 4.03Å; I48-L57 HydrophobicContact CG1-CD1 4.46Å; I48-L57 HydrophobicContact CG1-CG 4.22Å; I48-L57 HydrophobicContact CG2-CD1 4.36Å; I48-I161 HydrophobicContact CG2-CG1 4.49Å; I48-A164 HydrophobicContact CD1-CB 3.48Å; I48-A164 VanDerWaalsContact CD1-CB 3.48Å |
| 49 | T | 96 | Very high | 93.1 | Very high | 83 Ų | 83 | 51.8 Ų | 51.8 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.5 | 176.9 | -50.2 | 0 | 0 | 0 | 0 | 109.3 | K53 Q54 | T49-K53 WeakPolarHBondContact CA-O 3.13Å; T49-Q54 PolarHBondContact OG1-OE1 3.47Å |
| 50 | I | 95.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.2 | 172.9 | -67.2 | 176.5 | 0 | 0 | 0 | 107 | I48 G52 K53 I55 A164 K165 Y168 | I48-I50 HydrophobicContact CD1-CD1 3.79Å; I48-I50 HydrophobicContact CD1-CG1 4.22Å; I50-G52 PolarHBondContact O-N 3.44Å; I50-K53 PolarHBondContact N-O 3.42Å; I50-K53 WeakPolarHBondContact O-CA 3.42Å; I50-K53 WeakPolarHBondContact O-CB 3.47Å; I50-K53 PolarHBondContact O-N 3.18Å; I50-I55 HydrophobicContact CB-CD1 3.97Å; I50-I55 HydrophobicContact CD1-CD1 4.08Å; I50-I55 HydrophobicContact CG1-CD1 4.36Å; I50-A164 HydrophobicContact CD1-CB 3.42Å; I50-A164 VanDerWaalsContact CD1-CB 3.42Å; I50-K165 HydrophobicContact CD1-CB 4.47Å; I50-K165 HydrophobicContact CD1-CG 3.76Å; I50-K165 HydrophobicContact CG1-CG 4.13Å; I50-K165 HydrophobicContact CG2-CG 4.17Å; I50-Y168 HydrophobicContact CG2-CD1 3.72Å; I50-Y168 HydrophobicContact CG2-CE1 4.19Å; I50-Y168 HydrophobicContact CG2-CG 4.11Å |
| 51 | D | 93.7 | Very high | 94.8 | Very high | 131 Ų | 131 | 47.7 Ų | 47.7 | 70% | 0.701 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 43.7 | -178.2 | -60 | -9.1 | 0 | 0 | 0 | 113.7 | K53 Y168 | D51-K53 PolarHBondContact O-N 3.01Å; D51-K53 VanDerWaalsContact O-N 3.11Å; D51-Y168 HydrophobicContact CB-CE1 4.26Å; D51-Y168 WeakPolarHBondContact OD2-CE1 3.43Å |
| 52 | G | 92.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 72% | 0.722 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | -3.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I50 | I50-G52 PolarHBondContact O-N 3.44Š|
| 53 | K | 93.3 | Very high | 94.9 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 132.6 | 175.9 | -64.9 | -177.4 | -175.6 | 164.4 | 0 | 110.7 | A4 Y5 T49 I50 D51 I55 Y168 | A4-K53 HydrophobicContact CB-CB 4.04Å; A4-K53 HydrophobicContact CB-CD 4.26Å; A4-K53 HydrophobicContact CB-CG 4.36Å; Y5-K53 HydrophobicContact CE2-CD 4.18Å; T49-K53 WeakPolarHBondContact CA-O 3.13Å; I50-K53 PolarHBondContact N-O 3.42Å; I50-K53 WeakPolarHBondContact O-CA 3.42Å; I50-K53 WeakPolarHBondContact O-CB 3.47Å; I50-K53 PolarHBondContact O-N 3.18Å; D51-K53 PolarHBondContact O-N 3.01Å; D51-K53 VanDerWaalsContact O-N 3.11Å; K53-I55 PolarHBondContact O-N 2.93Å; K53-Y168 HydrophobicContact CD-CE2 3.87Å; K53-Y168 WeakPolarHBondContact CD-OH 3.26Å; K53-Y168 VanDerWaalsContact CE-OH 3.31Å; K53-Y168 WeakPolarHBondContact CE-OH 3.41Å; K53-Y168 PolarHBondContact NZ-OH 3.06Å |
| 54 | Q | 95.8 | Very high | 94.2 | Very high | 69 Ų | 69 | 36.8 Ų | 36.8 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 121.5 | 171.5 | -66.7 | -59.4 | 95 | 0 | 0 | 109.8 | Y3 A4 M47 T49 | Y3-Q54 CarbonylContact C-O 3.55Å; Y3-Q54 WeakPolarHBondContact CA-O 3.15Å; Y3-Q54 WeakPolarHBondContact CB-O 2.96Å; A4-Q54 PolarHBondContact N-O 3.12Å; M47-Q54 HydrophobicContact CE-CB 3.71Å; M47-Q54 HydrophobicContact CE-CG 4.47Å; T49-Q54 PolarHBondContact OG1-OE1 3.47Å |
| 55 | I | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130.9 | 177.6 | -61.3 | -179.7 | 0 | 0 | 0 | 108.8 | Y5 F7 M47 I48 I50 K53 L57 Y168 | Y5-I55 WeakPolarHBondContact O-CA 3.32Å; F7-I55 HydrophobicContact CD2-CG2 3.69Å; F7-I55 HydrophobicContact CE2-CD1 3.9Å; F7-I55 HydrophobicContact CE2-CG2 3.79Å; F7-I55 HydrophobicContact CG-CG2 4.08Å; F7-I55 HydrophobicContact CZ-CD1 4.04Å; F7-I55 HydrophobicContact CZ-CG2 4.24Å; M47-I55 WeakPolarHBondContact CA-O 3.46Å; I48-I55 HydrophobicContact CG1-CB 4.05Å; I48-I55 HydrophobicContact CG1-CG2 4.48Å; I48-I55 PolarHBondContact N-O 2.98Å; I48-I55 PolarHBondContact O-N 3.14Å; I50-I55 HydrophobicContact CB-CD1 3.97Å; I50-I55 HydrophobicContact CD1-CD1 4.08Å; I50-I55 HydrophobicContact CG1-CD1 4.36Å; K53-I55 PolarHBondContact O-N 2.93Å; I55-L57 HydrophobicContact CG2-CD2 4.12Å; I55-Y168 HydrophobicContact CD1-CD2 4.12Å; I55-Y168 HydrophobicContact CD1-CG 4.49Å |
| 56 | K | 97.2 | Very high | 92.1 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114.8 | 174.7 | -171.5 | 174.5 | -178.2 | -179.4 | 0 | 109.6 | Y3 Y5 L6 F7 M47 | Y3-K56 HydrophobicContact CD1-CB 4.03Å; Y3-K56 HydrophobicContact CD1-CD 4.12Å; Y3-K56 HydrophobicContact CD2-CB 4.44Å; Y3-K56 HydrophobicContact CE1-CD 3.99Å; Y3-K56 HydrophobicContact CG-CB 4Å; Y5-K56 PolarHBondContact O-N 3.21Å; L6-K56 CarbonylContact C-O 3.52Å; L6-K56 VanDerWaalsContact CA-O 3.25Å; L6-K56 WeakPolarHBondContact CA-O 3.46Å; L6-K56 HydrophobicContact CB-CB 4.41Å; L6-K56 HydrophobicContact CD1-CD 4.33Å; L6-K56 HydrophobicContact CG-CB 4.45Å; F7-K56 PolarHBondContact N-O 3.4Å; M47-K56 HydrophobicContact SD-CB 3.61Å; M47-K56 HydrophobicContact SD-CD 4.29Å; M47-K56 HydrophobicContact SD-CG 3.83Å |
| 57 | L | 97.9 | Very high | 91 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 130.5 | 168.2 | -56.8 | -172 | 0 | 0 | 0 | 109.2 | F7 Y9 F26 A45 R46 I48 I55 I59 F160 A164 | F7-L57 HydrophobicContact CB-CD2 3.96Å; F7-L57 HydrophobicContact CD2-CD2 4.07Å; F7-L57 HydrophobicContact CG-CD2 4.44Å; Y9-L57 HydrophobicContact CE1-CD2 4Å; Y9-L57 HydrophobicContact CE2-CD1 4.17Å; F26-L57 HydrophobicContact CE1-CD1 4.09Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; A45-L57 WeakPolarHBondContact CA-O 3.36Å; A45-L57 WeakPolarHBondContact CB-O 3.39Å; R46-L57 PolarHBondContact N-O 2.83Å; R46-L57 VanDerWaalsContact N-O 3.08Å; R46-L57 PolarHBondContact O-N 3.44Å; I48-L57 HydrophobicContact CD1-CD1 3.92Å; I48-L57 HydrophobicContact CD1-CD2 4.13Å; I48-L57 HydrophobicContact CD1-CG 4.03Å; I48-L57 HydrophobicContact CG1-CD1 4.46Å; I48-L57 HydrophobicContact CG1-CG 4.22Å; I48-L57 HydrophobicContact CG2-CD1 4.36Å; I55-L57 HydrophobicContact CG2-CD2 4.12Å; L57-I59 HydrophobicContact CB-CD1 4.25Å; L57-I59 HydrophobicContact CB-CG1 4.22Å; L57-F160 HydrophobicContact CD1-CB 4.36Å; L57-A164 HydrophobicContact CD2-CB 4.18Å |
| 58 | Q | 97.3 | Very high | 90.1 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 23% | 0.234 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.2 | 167.2 | -78.4 | -164.5 | -29.2 | 0 | 0 | 108 | L6 F7 K8 Y9 F43 | L6-Q58 HydrophobicContact CD1-CG 4.16Å; L6-Q58 HydrophobicContact CD2-CB 4.46Å; L6-Q58 HydrophobicContact CD2-CG 4.19Å; L6-Q58 HydrophobicContact CG-CG 4.17Å; F7-Q58 PolarHBondContact O-N 3.11Å; K8-Q58 CarbonylContact C-O 3.56Å; K8-Q58 WeakPolarHBondContact CA-O 3.25Å; Y9-Q58 PolarHBondContact N-O 3.46Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.92Å; F43-Q58 HydrophobicContact CZ-CB 4.29Å; F43-Q58 HydrophobicContact CZ-CG 3.88Å |
| 59 | I | 97.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.3 | -168.1 | -55.2 | 152.7 | 0 | 0 | 0 | 108.7 | Y9 I11 L23 F26 F43 G44 L57 F160 | Y9-I59 HydrophobicContact CD2-CG1 4.41Å; Y9-I59 HydrophobicContact CG-CG1 4.43Å; I11-I59 HydrophobicContact CD1-CG2 3.72Å; I11-I59 HydrophobicContact CG1-CG2 3.67Å; L23-I59 HydrophobicContact CD1-CB 3.83Å; L23-I59 HydrophobicContact CD1-CD1 3.84Å; L23-I59 HydrophobicContact CD1-CG1 4.46Å; L23-I59 HydrophobicContact CD1-CG2 3.72Å; F26-I59 HydrophobicContact CD1-CD1 3.76Å; F26-I59 HydrophobicContact CE1-CD1 3.74Å; F43-I59 WeakPolarHBondContact CA-O 3.29Å; G44-I59 PolarHBondContact N-O 3.45Å; G44-I59 PolarHBondContact O-N 3.49Å; L57-I59 HydrophobicContact CB-CD1 4.25Å; L57-I59 HydrophobicContact CB-CG1 4.22Å; I59-F160 HydrophobicContact CD1-CD1 3.78Å; I59-F160 HydrophobicContact CD1-CE1 3.58Å; I59-F160 HydrophobicContact CG1-CD1 4.43Å; I59-F160 HydrophobicContact CG1-CE1 4.17Å; I59-F160 HydrophobicContact CG2-CE1 4.18Å |
| 60 | W | 95.6 | Very high | 88.3 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 109 | 175.4 | -59.6 | 90.3 | 0 | 0 | 0 | 108.9 | Y9 I10 I11 V41 E42 F43 Y75 | Y9-W60 PolarHBondContact O-N 3.41Å; I10-W60 CarbonylContact C-O 3.6Å; I10-W60 WeakPolarHBondContact CA-O 3.19Å; I10-W60 HydrophobicContact CG2-CB 4.26Å; I11-W60 PolarHBondContact N-O 3.35Å; V41-W60 HydrophobicContact CG1-CB 3.83Å; V41-W60 HydrophobicContact CG1-CD2 4.38Å; V41-W60 HydrophobicContact CG1-CE3 3.64Å; E42-W60 CarbonylContact O-C 3.51Å; E42-W60 WeakPolarHBondContact O-CA 3.49Å; F43-W60 HydrophobicContact CB-CE3 4.36Å; F43-W60 HydrophobicContact CB-CZ3 4.39Å; F43-W60 HydrophobicContact CD2-CD2 4.12Å; F43-W60 HydrophobicContact CD2-CE3 4.16Å; F43-W60 HydrophobicContact CD2-CH2 4.25Å; F43-W60 HydrophobicContact CD2-CZ2 4.13Å; F43-W60 HydrophobicContact CD2-CZ3 4.24Å; F43-W60 HydrophobicContact CE2-CZ2 4.43Å; W60-Y75 HydrophobicContact CB-CD1 4.05Å; W60-Y75 AromaticContact CD2-CD1 3.62Å; W60-Y75 HydrophobicContact CD2-CD1 3.62Å; W60-Y75 AromaticContact CD2-CE1 3.58Å; W60-Y75 HydrophobicContact CD2-CE1 3.58Å; W60-Y75 AromaticContact CE3-CD1 3.76Å; W60-Y75 HydrophobicContact CE3-CD1 3.76Å; W60-Y75 AromaticContact CE3-CE1 3.24Å; W60-Y75 HydrophobicContact CE3-CE1 3.24Å; W60-Y75 AromaticContact CG-CD1 3.79Å; W60-Y75 HydrophobicContact CG-CD1 3.79Å; W60-Y75 HydrophobicContact CG-CE1 4.23Å; W60-Y75 HydrophobicContact CH2-CE1 4.02Å; W60-Y75 HydrophobicContact CZ2-CE1 4.36Å; W60-Y75 HydrophobicContact CZ3-CD1 4.37Å; W60-Y75 AromaticContact CZ3-CE1 3.47Å; W60-Y75 HydrophobicContact CZ3-CE1 3.47Å; W60-Y75 VanDerWaalsContact CZ3-CE1 3.47Å |
| 61 | D | 94.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120.7 | 172.7 | 173.3 | 42.1 | 0 | 0 | 0 | 109.6 | K19 S20 L23 V41 E42 | K19-D61 WeakPolarHBondContact CB-OD1 3.38Å; S20-D61 VanDerWaalsContact CA-OD2 3.25Å; S20-D61 WeakPolarHBondContact CA-OD2 3.43Å; S20-D61 WeakPolarHBondContact CB-OD2 3.34Å; S20-D61 PolarHBondContact N-OD2 3.12Å; S20-D61 PolarHBondContact OG-OD2 2.99Å; L23-D61 HydrophobicContact CD2-CB 3.64Å; V41-D61 CarbonylContact C-O 3.5Å; V41-D61 VanDerWaalsContact CA-O 3.22Å; V41-D61 WeakPolarHBondContact CA-O 3.35Å; V41-D61 VanDerWaalsContact CG1-O 3.27Å; V41-D61 WeakPolarHBondContact CG1-O 3.16Å; E42-D61 HydrophobicContact CB-CB 4.23Å; E42-D61 PolarHBondContact N-O 3Å; E42-D61 PolarHBondContact O-N 2.89Å |
| 62 | T | 91 | Very high | 86.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 152.6 | -172.3 | 74.1 | 0 | 0 | 0 | 0 | 112.2 | I11 K19 V41 G64 T72 | I11-T62 PolarHBondContact O-N 3.34Å; I11-T62 PolarHBondContact O-OG1 3.18Å; K19-T62 WeakPolarHBondContact CE-O 3.48Å; V41-T62 HydrophobicContact CG1-CG2 4.49Å; V41-T62 HydrophobicContact CG2-CG2 4.23Å; T62-G64 PolarHBondContact O-N 2.81Å; T62-T72 HydrophobicContact CG2-CG2 4.06Å |
| 63 | A | 86.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 137 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | T38 G40 F68 | T38-A63 VanDerWaalsContact O-CB 3.27Å; T38-A63 WeakPolarHBondContact O-CB 3.43Å; G40-A63 WeakPolarHBondContact O-CB 3.34Å; G40-A63 PolarHBondContact O-N 3.39Å; A63-F68 HydrophobicContact CB-CB 3.61Å; A63-F68 HydrophobicContact CB-CD2 3.66Å; A63-F68 HydrophobicContact CB-CG 3.87Å |
| 64 | G | 76.9 | Confident | 86.3 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | trans | -94.4 | 8.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G13 T15 T62 | G13-G64 WeakPolarHBondContact O-CA 3.43Å; T15-G64 PolarHBondContact N-O 3.38Å; T15-G64 VanDerWaalsContact N-O 3.13Å; T15-G64 PolarHBondContact OG1-O 3.1Å; T62-G64 PolarHBondContact O-N 2.81Å | ||
| 65 | Q | 78.3 | Confident | 86 | Confident | 60 Ų | 60 | 46.2 Ų | 46.2 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -92.2 | 144.9 | -179.9 | -62.2 | -173.7 | 6.1 | 0 | 0 | 110.1 | T15 S67 F68 | T15-Q65 HydrophobicContact CG2-CG 4.39Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.26Å; T15-Q65 PolarHBondContact OG1-N 3.18Å; T15-Q65 VanDerWaalsContact OG1-N 3.16Å; Q65-S67 PolarHBondContact O-N 3.47Å; Q65-F68 HydrophobicContact CB-CD2 4Å; Q65-F68 PolarHBondContact O-N 2.68Å |
| 66 | E | 68.3 | Low | 85.7 | Confident | 135 Ų | 135 | 46.3 Ų | 46.3 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -59.6 | -37.2 | -179.5 | -56.9 | -161.1 | 132.6 | 0 | 0 | 112.9 | F68 R69 | E66-F68 PolarHBondContact O-N 2.64Å; E66-R69 WeakPolarHBondContact O-CB 3.23Å; E66-R69 WeakPolarHBondContact O-CG 3.38Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 IonicContact OE1-CZ 2.82Å; E66-R69 IonicContact OE1-NE 3.67Å; E66-R69 IonicContact OE1-NH2 3.81Å; E66-R69 PolarHBondContact OE1-NH2 3.07Å |
| 67 | S | 74.2 | Confident | 85.3 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 69% | 0.692 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -57 | -19.1 | 176.4 | -52.6 | 0 | 0 | 0 | 0 | 113.8 | Q65 | Q65-S67 PolarHBondContact O-N 3.47Š|
| 68 | F | 76.8 | Confident | 84.9 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -110.5 | 11.9 | 178.5 | -60.5 | -62.8 | 0 | 0 | 0 | 113.5 | I39 A63 Q65 E66 S70 I71 T72 | I39-F68 HydrophobicContact CG2-CZ 4.2Å; A63-F68 HydrophobicContact CB-CB 3.61Å; A63-F68 HydrophobicContact CB-CD2 3.66Å; A63-F68 HydrophobicContact CB-CG 3.87Å; Q65-F68 HydrophobicContact CB-CD2 4Å; Q65-F68 PolarHBondContact O-N 2.68Å; E66-F68 PolarHBondContact O-N 2.64Å; F68-S70 VanDerWaalsContact C-N 3.26Å; F68-S70 PolarHBondContact O-N 2.86Å; F68-I71 HydrophobicContact CD1-CD1 3.75Å; F68-I71 HydrophobicContact CE1-CD1 4.47Å; F68-I71 PolarHBondContact O-N 2.93Å; F68-I71 VanDerWaalsContact O-N 3.15Å; F68-T72 PolarHBondContact O-N 2.82Å; F68-T72 PolarHBondContact O-OG1 2.99Å |
| 69 | R | 76.5 | Confident | 84.8 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.5 | -38.2 | 177.2 | -82.8 | 174.7 | -175.5 | -133 | 18.2 | 112.6 | E66 I71 T72 R73 T99 D103 | E66-R69 WeakPolarHBondContact O-CB 3.23Å; E66-R69 WeakPolarHBondContact O-CG 3.38Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 IonicContact OE1-CZ 2.82Å; E66-R69 IonicContact OE1-NE 3.67Å; E66-R69 IonicContact OE1-NH2 3.81Å; E66-R69 PolarHBondContact OE1-NH2 3.07Å; R69-I71 PolarHBondContact O-N 2.94Å; R69-T72 PolarHBondContact O-N 3.1Å; R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.96Å; R69-T99 VanDerWaalsContact NH1-CG2 3.27Å; R69-D103 IonicContact NH1-OD2 2.76Å; R69-D103 PolarHBondContact NH1-OD2 2.7Å |
| 70 | S | 78.2 | Confident | 84.7 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 61% | 0.608 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -62.9 | -40.6 | 177.9 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | F68 R73 | F68-S70 VanDerWaalsContact C-N 3.26Å; F68-S70 PolarHBondContact O-N 2.86Å; S70-R73 PolarHBondContact O-N 2.77Å |
| 71 | I | 79.6 | Confident | 84.8 | Confident | 61 Ų | 61 | 47.3 Ų | 47.3 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.3 | -51 | 174.6 | -59.5 | -177.2 | 0 | 0 | 0 | 108.9 | V41 F68 R69 R73 S74 Y75 | V41-I71 HydrophobicContact CG2-CG2 3.93Å; F68-I71 HydrophobicContact CD1-CD1 3.75Å; F68-I71 HydrophobicContact CE1-CD1 4.47Å; F68-I71 PolarHBondContact O-N 2.93Å; F68-I71 VanDerWaalsContact O-N 3.15Å; R69-I71 PolarHBondContact O-N 2.94Å; I71-R73 PolarHBondContact O-N 2.67Å; I71-S74 WeakPolarHBondContact O-CB 3.41Å; I71-S74 PolarHBondContact O-N 2.67Å; I71-S74 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-OG 3.08Å; I71-Y75 HydrophobicContact CG2-CD2 4.45Å; I71-Y75 HydrophobicContact CG2-CE2 3.93Å; I71-Y75 VanDerWaalsContact O-CD2 3.26Å; I71-Y75 WeakPolarHBondContact O-CD2 3.5Å |
| 72 | T | 81.5 | Confident | 85 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.4 | -41.4 | 179.2 | -56.3 | 0 | 0 | 0 | 0 | 112 | I12 T62 F68 R69 S74 Y75 Y76 W100 | I12-T72 HydrophobicContact CG2-CG2 4.12Å; T62-T72 HydrophobicContact CG2-CG2 4.06Å; F68-T72 PolarHBondContact O-N 2.82Å; F68-T72 PolarHBondContact O-OG1 2.99Å; R69-T72 PolarHBondContact O-N 3.1Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 3.48Å; T72-Y75 PolarHBondContact O-N 3.25Å; T72-Y76 HydrophobicContact CG2-CE2 4.26Å; T72-W100 HydrophobicContact CG2-CZ3 4.05Å |
| 73 | R | 85.4 | Confident | 85.3 | Confident | 99 Ų | 99 | 47.3 Ų | 47.3 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.9 | -34.3 | 179.9 | -77.8 | 175.1 | -179.2 | 171.7 | -1.2 | 114.2 | R69 S70 I71 Y75 Y76 D103 | R69-R73 WeakPolarHBondContact O-CG 3.49Å; R69-R73 PolarHBondContact O-N 2.96Å; S70-R73 PolarHBondContact O-N 2.77Å; I71-R73 PolarHBondContact O-N 2.67Å; R73-Y75 PolarHBondContact O-N 2.79Å; R73-Y76 VanDerWaalsContact CA-CD2 3.49Å; R73-Y76 HydrophobicContact CB-CD2 4.29Å; R73-Y76 HydrophobicContact CG-CD2 4.16Å; R73-Y76 HydrophobicContact CG-CE2 4.04Å; R73-Y76 PolarHBondContact O-N 2.84Å; R73-D103 IonicContact CZ-OD1 3.45Å; R73-D103 IonicContact NE-OD1 3.31Å; R73-D103 PolarHBondContact NE-OD1 3.25Å; R73-D103 IonicContact NH2-OD1 2.79Å; R73-D103 PolarHBondContact NH2-OD1 2.88Å; R73-D103 IonicContact NH2-OD2 3.65Å |
| 74 | S | 86.9 | Confident | 85.9 | Confident | 76 Ų | 76 | 47.3 Ų | 47.3 | 53% | 0.531 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.4 | -24.6 | 177.2 | 73 | 0 | 0 | 0 | 0 | 113.1 | I71 T72 | I71-S74 WeakPolarHBondContact O-CB 3.41Å; I71-S74 PolarHBondContact O-N 2.67Å; I71-S74 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-OG 3.08Å; T72-S74 VanDerWaalsContact C-N 3.26Å; T72-S74 PolarHBondContact O-N 3.48Å |
| 75 | Y | 90.5 | Very high | 86.9 | Confident | 57 Ų | 57 | 46.9 Ų | 46.9 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -85.6 | -20.5 | -179 | -71.4 | -87.9 | 0 | 0 | 0 | 113.5 | K8 I10 V41 W60 I71 T72 R73 R77 | K8-Y75 VanDerWaalsContact CE-O 3.26Å; K8-Y75 WeakPolarHBondContact CE-O 3.47Å; K8-Y75 PolarHBondContact NZ-O 2.88Å; I10-Y75 WeakPolarHBondContact CG2-O 3.4Å; V41-Y75 HydrophobicContact CB-CE1 4.44Å; V41-Y75 HydrophobicContact CB-CE2 4.05Å; V41-Y75 HydrophobicContact CG1-CD1 4.31Å; V41-Y75 HydrophobicContact CG1-CE1 4.04Å; V41-Y75 HydrophobicContact CG1-CE2 4.36Å; V41-Y75 HydrophobicContact CG2-CD2 3.65Å; V41-Y75 HydrophobicContact CG2-CE1 4.44Å; V41-Y75 HydrophobicContact CG2-CE2 3.32Å; V41-Y75 HydrophobicContact CG2-CG 4.34Å; W60-Y75 HydrophobicContact CB-CD1 4.05Å; W60-Y75 AromaticContact CD2-CD1 3.62Å; W60-Y75 HydrophobicContact CD2-CD1 3.62Å; W60-Y75 AromaticContact CD2-CE1 3.58Å; W60-Y75 HydrophobicContact CD2-CE1 3.58Å; W60-Y75 AromaticContact CE3-CD1 3.76Å; W60-Y75 HydrophobicContact CE3-CD1 3.76Å; W60-Y75 AromaticContact CE3-CE1 3.24Å; W60-Y75 HydrophobicContact CE3-CE1 3.24Å; W60-Y75 AromaticContact CG-CD1 3.79Å; W60-Y75 HydrophobicContact CG-CD1 3.79Å; W60-Y75 HydrophobicContact CG-CE1 4.23Å; W60-Y75 HydrophobicContact CH2-CE1 4.02Å; W60-Y75 HydrophobicContact CZ2-CE1 4.36Å; W60-Y75 HydrophobicContact CZ3-CD1 4.37Å; W60-Y75 AromaticContact CZ3-CE1 3.47Å; W60-Y75 HydrophobicContact CZ3-CE1 3.47Å; W60-Y75 VanDerWaalsContact CZ3-CE1 3.47Å; I71-Y75 HydrophobicContact CG2-CD2 4.45Å; I71-Y75 HydrophobicContact CG2-CE2 3.93Å; I71-Y75 VanDerWaalsContact O-CD2 3.26Å; I71-Y75 WeakPolarHBondContact O-CD2 3.5Å; T72-Y75 PolarHBondContact O-N 3.25Å; R73-Y75 PolarHBondContact O-N 2.79Å; Y75-R77 PolarHBondContact O-N 3.22Å |
| 76 | Y | 90.7 | Very high | 87.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.9 | -39 | 172.1 | -70.7 | -53.5 | 0 | 0 | 0 | 112.3 | I10 I12 T72 R73 G78 A79 D103 A104 H107 | I10-Y76 HydrophobicContact CD1-CD1 3.16Å; I10-Y76 HydrophobicContact CD1-CE1 3.49Å; I10-Y76 VanDerWaalsContact CD1-CE1 3.49Å; I10-Y76 HydrophobicContact CD1-CG 4.26Å; I12-Y76 HydrophobicContact CD1-CE1 3.89Å; I12-Y76 HydrophobicContact CG2-CE1 3.86Å; T72-Y76 HydrophobicContact CG2-CE2 4.26Å; R73-Y76 VanDerWaalsContact CA-CD2 3.49Å; R73-Y76 HydrophobicContact CB-CD2 4.29Å; R73-Y76 HydrophobicContact CG-CD2 4.16Å; R73-Y76 HydrophobicContact CG-CE2 4.04Å; R73-Y76 PolarHBondContact O-N 2.84Å; Y76-G78 PolarHBondContact O-N 3.04Å; Y76-A79 WeakPolarHBondContact O-CB 3.41Å; Y76-A79 PolarHBondContact O-N 3.03Å; Y76-D103 HydrophobicContact CE2-CB 4.22Å; Y76-A104 HydrophobicContact CD1-CB 3.97Å; Y76-A104 VanDerWaalsContact CE1-CA 3.48Å; Y76-A104 HydrophobicContact CE1-CB 3.51Å; Y76-H107 CarbonylContact C-O 3.43Å; Y76-H107 WeakPolarHBondContact CB-O 3.4Å; Y76-H107 HydrophobicContact CD2-CB 3.65Å; Y76-H107 HydrophobicContact CG-CB 3.98Å |
| 77 | R | 88.4 | Confident | 89.3 | Confident | 190 Ų | 190 | 37.7 Ų | 37.7 | 72% | 0.717 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 122.5 | -178.6 | -173.2 | 178 | 178.2 | 92.1 | 0.5 | 110.4 | K8 Y75 A79 H107 | K8-R77 PolarHBondContact NZ-O 2.93Å; Y75-R77 PolarHBondContact O-N 3.22Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 3.43Å; R77-H107 PolarHBondContact N-O 2.97Å |
| 78 | G | 89.2 | Confident | 90.5 | Very high | 10 Ų | 10 | 33 Ų | 33 | 10% | 0.103 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 25.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | K8 Y76 A182 G184 | K8-G78 WeakPolarHBondContact CB-O 3.45Å; K8-G78 VanDerWaalsContact CD-O 3.26Å; K8-G78 WeakPolarHBondContact CD-O 3.39Å; Y76-G78 PolarHBondContact O-N 3.04Å; G78-A182 WeakPolarHBondContact CA-O 3.49Å; G78-G184 WeakPolarHBondContact O-CA 3.4Å |
| 79 | A | 94.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | trans | -82 | 130.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I10 Y76 R77 M112 | I10-A79 HydrophobicContact CD1-CB 4.05Å; I10-A79 HydrophobicContact CG1-CB 4.14Å; I10-A79 HydrophobicContact CG2-CB 3.98Å; Y76-A79 WeakPolarHBondContact O-CB 3.41Å; Y76-A79 PolarHBondContact O-N 3.03Å; R77-A79 VanDerWaalsContact C-N 3.31Å; R77-A79 PolarHBondContact O-N 3.43Å; A79-M112 HydrophobicContact CB-SD 3.72Å | ||
| 80 | A | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -85.4 | -31.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K8 V113 I167 N183 I185 | K8-A80 PolarHBondContact O-N 2.72Å; A80-V113 PolarHBondContact O-N 2.8Å; A80-I167 HydrophobicContact CB-CD1 4.05Å; A80-I167 HydrophobicContact CB-CG2 4.3Å; A80-I167 WeakPolarHBondContact O-CD1 3.35Å; A80-N183 WeakPolarHBondContact CA-O 2.84Å; A80-N183 WeakPolarHBondContact CB-O 3.31Å; A80-I185 HydrophobicContact CB-CD1 4.5Å; A80-I185 HydrophobicContact CB-CG1 3.87Å |
| 81 | G | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K8 Y9 I10 V113 | K8-G81 PolarHBondContact O-N 3.29Å; Y9-G81 VanDerWaalsContact CA-O 3.27Å; Y9-G81 WeakPolarHBondContact CA-O 3.17Å; I10-G81 PolarHBondContact N-O 3.31Å; I10-G81 VanDerWaalsContact N-O 3.11Å; G81-V113 CarbonylContact C-O 3.48Å; G81-V113 WeakPolarHBondContact CA-O 3.19Å |
| 82 | A | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I10 M112 V113 I114 M115 | I10-A82 HydrophobicContact CD1-CB 3.99Å; I10-A82 HydrophobicContact CG1-CB 3.61Å; I10-A82 CarbonylContact O-C 3.54Å; I10-A82 WeakPolarHBondContact O-CA 3.11Å; A82-M112 HydrophobicContact CB-CE 3.84Å; A82-M112 HydrophobicContact CB-SD 3.91Å; A82-V113 PolarHBondContact N-O 3.04Å; A82-I114 HydrophobicContact CB-CG1 4.29Å; A82-I114 WeakPolarHBondContact O-CA 3.12Å; A82-M115 PolarHBondContact O-N 3.49Å |
| 83 | L | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 109.9 | 166.7 | -57 | -170.5 | 0 | 0 | 0 | 107.9 | I10 I11 I12 V85 M115 I117 F160 T163 | I10-L83 PolarHBondContact O-N 2.84Å; I11-L83 WeakPolarHBondContact CA-O 3.3Å; I11-L83 HydrophobicContact CD1-CD1 4.47Å; I11-L83 HydrophobicContact CG1-CB 4.37Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.09Å; I12-L83 PolarHBondContact N-O 3.34Å; L83-V85 HydrophobicContact CB-CG2 4.41Å; L83-M115 WeakPolarHBondContact CA-O 3.48Å; L83-M115 HydrophobicContact CD2-CB 3.68Å; L83-M115 HydrophobicContact CD2-CG 4.02Å; L83-I117 HydrophobicContact CB-CD1 4.02Å; L83-I117 HydrophobicContact CD1-CD1 3.95Å; L83-I117 HydrophobicContact CD2-CD1 4.14Å; L83-I117 HydrophobicContact CG-CD1 4.25Å; L83-F160 HydrophobicContact CD1-CD1 3.82Å; L83-F160 HydrophobicContact CD1-CD2 4.16Å; L83-F160 HydrophobicContact CD1-CE1 3.4Å; L83-F160 HydrophobicContact CD1-CE2 3.81Å; L83-F160 HydrophobicContact CD1-CG 4.19Å; L83-F160 HydrophobicContact CD1-CZ 3.41Å; L83-F160 VanDerWaalsContact CD1-CZ 3.41Å; L83-T163 HydrophobicContact CD2-CG2 4.36Å |
| 84 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 110.8 | 177.6 | 174.1 | 59.8 | 0 | 0 | 0 | 108.6 | I12 L97 W100 L101 I114 M115 L116 I117 | I12-L84 HydrophobicContact CD1-CB 4.45Å; I12-L84 HydrophobicContact CD1-CD1 3.98Å; I12-L84 HydrophobicContact CG1-CB 4.23Å; I12-L84 HydrophobicContact CG1-CD1 3.81Å; L84-L97 HydrophobicContact CD1-CD2 3.78Å; L84-L97 HydrophobicContact CD2-CD2 3.77Å; L84-L97 HydrophobicContact CG-CD2 3.52Å; L84-W100 HydrophobicContact CD1-CB 3.52Å; L84-W100 HydrophobicContact CD1-CG 4.17Å; L84-L101 HydrophobicContact CD2-CB 4.18Å; L84-I114 HydrophobicContact CB-CG2 4.07Å; L84-M115 PolarHBondContact N-O 2.8Å; L84-L116 HydrophobicContact CD2-CD1 4.2Å; L84-L116 HydrophobicContact CG-CD1 4.1Å; L84-L116 CarbonylContact O-C 3.54Å; L84-L116 WeakPolarHBondContact O-CA 3.08Å; L84-I117 PolarHBondContact O-N 3.33Å |
| 85 | V | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.1 | -166.4 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | I11 I12 V17 K19 L22 L83 I117 N119 | I11-V85 HydrophobicContact CG2-CG2 3.63Å; I12-V85 PolarHBondContact O-N 3.15Å; V17-V85 HydrophobicContact CB-CG1 4.22Å; V17-V85 HydrophobicContact CG2-CB 3.87Å; V17-V85 HydrophobicContact CG2-CG1 3.78Å; K19-V85 HydrophobicContact CG-CB 4.21Å; K19-V85 HydrophobicContact CG-CG2 4.25Å; L22-V85 HydrophobicContact CD1-CG1 3.81Å; L22-V85 HydrophobicContact CD1-CG2 4.06Å; L83-V85 HydrophobicContact CB-CG2 4.41Å; V85-I117 WeakPolarHBondContact CA-O 3.47Å; V85-I117 HydrophobicContact CG1-CB 4.32Å; V85-I117 HydrophobicContact CG1-CG2 4.22Å; V85-I117 HydrophobicContact CG2-CB 4.24Å; V85-I117 HydrophobicContact CG2-CD1 4.48Å; V85-N119 HydrophobicContact CG1-CB 3.81Å |
| 86 | Y | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 169 | 165.7 | 74.6 | -82.1 | 0 | 0 | 0 | 111 | I88 F94 L97 L116 I117 G118 N119 V129 F145 | Y86-I88 HydrophobicContact CE2-CG2 3.89Å; Y86-F94 HydrophobicContact CD1-CD2 4.23Å; Y86-F94 HydrophobicContact CD2-CB 3.94Å; Y86-F94 AromaticContact CD2-CD2 3.91Å; Y86-F94 HydrophobicContact CD2-CD2 3.91Å; Y86-F94 HydrophobicContact CD2-CG 4.43Å; Y86-F94 HydrophobicContact CE1-CD2 4.06Å; Y86-F94 HydrophobicContact CE1-CE2 4.46Å; Y86-F94 HydrophobicContact CE2-CB 4.4Å; Y86-F94 AromaticContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CG-CB 4.37Å; Y86-F94 HydrophobicContact CG-CD2 4.15Å; Y86-F94 AromaticContact CZ-CD2 3.83Å; Y86-L97 HydrophobicContact CD1-CD1 3.9Å; Y86-L97 HydrophobicContact CD1-CD2 4.28Å; Y86-L97 HydrophobicContact CE1-CD1 4.42Å; Y86-L97 HydrophobicContact CG-CD1 4.26Å; Y86-L116 HydrophobicContact CD1-CD1 3.9Å; Y86-L116 HydrophobicContact CD1-CG 4.44Å; Y86-L116 HydrophobicContact CE1-CD1 4.11Å; Y86-L116 HydrophobicContact CE1-CD2 4.42Å; Y86-L116 HydrophobicContact CE1-CG 4.17Å; Y86-I117 VanDerWaalsContact CD1-O 3.27Å; Y86-I117 WeakPolarHBondContact CD1-O 3.27Å; Y86-I117 PolarHBondContact N-O 3Å; Y86-G118 VanDerWaalsContact CZ-CA 3.43Å; Y86-N119 PolarHBondContact O-N 2.95Å; Y86-V129 HydrophobicContact CD2-CG2 4.49Å; Y86-V129 HydrophobicContact CE2-CB 3.98Å; Y86-V129 HydrophobicContact CE2-CG1 3.81Å; Y86-V129 HydrophobicContact CE2-CG2 4.18Å; Y86-F145 HydrophobicContact CE1-CE2 4.19Å |
| 87 | D | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 118.4 | 177.8 | -177.8 | -10.5 | 0 | 0 | 0 | 109.5 | V17 T89 R90 T93 K120 | V17-D87 HydrophobicContact CB-CB 4.3Å; V17-D87 HydrophobicContact CG1-CB 4.12Å; D87-T89 PolarHBondContact O-N 3.02Å; D87-T89 PolarHBondContact OD1-N 3.47Å; D87-T89 PolarHBondContact OD1-OG1 3.21Å; D87-T89 VanDerWaalsContact OD1-OG1 3.11Å; D87-R90 HydrophobicContact CB-CB 4.18Å; D87-R90 PolarHBondContact O-N 3.33Å; D87-R90 IonicContact OD2-CZ 3.69Å; D87-R90 IonicContact OD2-NE 2.76Å; D87-R90 PolarHBondContact OD2-NE 2.98Å; D87-R90 IonicContact OD2-NH2 2.76Å; D87-T93 HydrophobicContact CB-CG2 4.43Å; D87-T93 PolarHBondContact N-OG1 3.44Å; D87-T93 PolarHBondContact O-OG1 3.11Å; D87-K120 WeakPolarHBondContact OD1-CD 3.44Å; D87-K120 VanDerWaalsContact OD2-CE 3.26Å; D87-K120 WeakPolarHBondContact OD2-CE 3.48Å; D87-K120 IonicContact OD2-NZ 3.65Å; D87-K120 PolarHBondContact OD2-NZ 3.04Å |
| 88 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.2 | -177.4 | 66.8 | 156.1 | 0 | 0 | 0 | 113.2 | Y86 N119 K120 R127 E128 V129 | Y86-I88 HydrophobicContact CE2-CG2 3.89Å; I88-N119 WeakPolarHBondContact CG1-O 3.43Å; I88-N119 PolarHBondContact N-O 3.31Å; I88-K120 WeakPolarHBondContact CD1-O 3.36Å; I88-R127 HydrophobicContact CD1-CB 4.49Å; I88-R127 HydrophobicContact CD1-CG 4.48Å; I88-E128 PolarHBondContact O-N 2.88Å; I88-V129 PolarHBondContact O-N 3.33Å; I88-V129 VanDerWaalsContact O-N 3.11Å |
| 89 | T | 98.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 7.5 | 178.4 | 84.6 | 0 | 0 | 0 | 0 | 112.9 | D87 L123 R126 | D87-T89 PolarHBondContact O-N 3.02Å; D87-T89 PolarHBondContact OD1-N 3.47Å; D87-T89 PolarHBondContact OD1-OG1 3.21Å; D87-T89 VanDerWaalsContact OD1-OG1 3.11Å; T89-L123 HydrophobicContact CG2-CB 3.6Å; T89-L123 HydrophobicContact CG2-CD1 4.06Å; T89-L123 HydrophobicContact CG2-CG 4.48Å; T89-R126 VanDerWaalsContact CA-O 3.31Å; T89-R126 WeakPolarHBondContact CA-O 3.43Å; T89-R126 WeakPolarHBondContact CB-O 3.33Å; T89-R126 HydrophobicContact CG2-CB 3.91Å |
| 90 | R | 98.3 | Very high | 97.7 | Very high | 86 Ų | 86 | 27.8 Ų | 27.8 | 33% | 0.325 | 14% | 0.138 | S | C | . | . | trans | -139.7 | 99.1 | 178.8 | -65.5 | -169.4 | -64.9 | 148.2 | 2.7 | 111 | T15 G16 D87 D92 T93 E128 | T15-R90 PolarHBondContact O-NH1 2.74Å; T15-R90 PolarHBondContact O-NH2 2.95Å; G16-R90 PolarHBondContact O-NH2 3.2Å; D87-R90 HydrophobicContact CB-CB 4.18Å; D87-R90 PolarHBondContact O-N 3.33Å; D87-R90 IonicContact OD2-CZ 3.69Å; D87-R90 IonicContact OD2-NE 2.76Å; D87-R90 PolarHBondContact OD2-NE 2.98Å; D87-R90 IonicContact OD2-NH2 2.76Å; R90-D92 VanDerWaalsContact C-N 3.27Å; R90-D92 PolarHBondContact O-N 2.89Å; R90-T93 HydrophobicContact CB-CG2 3.9Å; R90-T93 VanDerWaalsContact CZ-CG2 3.45Å; R90-T93 PolarHBondContact O-N 2.91Å; R90-T93 VanDerWaalsContact O-N 3.11Å; R90-T93 PolarHBondContact O-OG1 3.22Å; R90-E128 WeakPolarHBondContact CA-OE2 3.47Å | ||
| 91 | R | 98.5 | Very high | 97.7 | Very high | 61 Ų | 61 | 28 Ų | 28 | 23% | 0.23 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -53.1 | -39.9 | -179.1 | 176.5 | 55.9 | 64.6 | 163.9 | 9.9 | 113.5 | T93 F94 N95 E128 E133 | R91-T93 PolarHBondContact O-N 2.78Å; R91-F94 WeakPolarHBondContact O-CB 3.49Å; R91-F94 PolarHBondContact O-N 2.84Å; R91-N95 PolarHBondContact O-N 3.31Å; R91-E128 HydrophobicContact CB-CB 4.3Å; R91-E128 PolarHBondContact N-OE2 2.86Å; R91-E128 PolarHBondContact NE-O 2.74Å; R91-E128 PolarHBondContact NH2-O 2.89Å; R91-E133 IonicContact CZ-OE1 3.71Å; R91-E133 VanDerWaalsContact CZ-OE1 3.27Å; R91-E133 IonicContact CZ-OE2 2.91Å; R91-E133 IonicContact NH1-OE1 3.71Å; R91-E133 PolarHBondContact NH1-OE1 3.09Å; R91-E133 IonicContact NH1-OE2 2.67Å; R91-E133 VanDerWaalsContact NH2-CD 3.27Å; R91-E133 IonicContact NH2-OE1 3.75Å; R91-E133 PolarHBondContact NH2-OE1 3.31Å; R91-E133 IonicContact NH2-OE2 3.74Å; R91-E133 PolarHBondContact NH2-OE2 3.07Å |
| 92 | D | 98 | Very high | 97.6 | Very high | 109 Ų | 109 | 33 Ų | 33 | 58% | 0.583 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -58.4 | -38 | -178.9 | -65.3 | -26.8 | 0 | 0 | 0 | 112.4 | R90 F94 N95 H96 | R90-D92 VanDerWaalsContact C-N 3.27Å; R90-D92 PolarHBondContact O-N 2.89Å; D92-F94 PolarHBondContact O-N 3.45Å; D92-N95 PolarHBondContact O-N 3.45Å; D92-N95 VanDerWaalsContact O-N 3.13Å; D92-H96 VanDerWaalsContact O-CG 3.27Å; D92-H96 PolarHBondContact O-N 2.9Å; D92-H96 PolarHBondContact O-ND1 2.76Å |
| 93 | T | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.5 | -26.4 | 179.3 | 70.2 | 0 | 0 | 0 | 0 | 113 | D14 V17 D87 R90 R91 | D14-T93 HydrophobicContact CB-CG2 3.92Å; V17-T93 HydrophobicContact CG1-CG2 3.87Å; D87-T93 HydrophobicContact CB-CG2 4.43Å; D87-T93 PolarHBondContact N-OG1 3.44Å; D87-T93 PolarHBondContact O-OG1 3.11Å; R90-T93 HydrophobicContact CB-CG2 3.9Å; R90-T93 VanDerWaalsContact CZ-CG2 3.45Å; R90-T93 PolarHBondContact O-N 2.91Å; R90-T93 VanDerWaalsContact O-N 3.11Å; R90-T93 PolarHBondContact O-OG1 3.22Å; R91-T93 PolarHBondContact O-N 2.78Å |
| 94 | F | 98.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 9% | 0.092 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -76.2 | -42.7 | 172 | 179.6 | -92.4 | 0 | 0 | 0 | 110.9 | Y86 R91 D92 H96 L97 V129 E133 F137 | Y86-F94 HydrophobicContact CD1-CD2 4.23Å; Y86-F94 HydrophobicContact CD2-CB 3.94Å; Y86-F94 AromaticContact CD2-CD2 3.91Å; Y86-F94 HydrophobicContact CD2-CD2 3.91Å; Y86-F94 HydrophobicContact CD2-CG 4.43Å; Y86-F94 HydrophobicContact CE1-CD2 4.06Å; Y86-F94 HydrophobicContact CE1-CE2 4.46Å; Y86-F94 HydrophobicContact CE2-CB 4.4Å; Y86-F94 AromaticContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CE2-CD2 3.75Å; Y86-F94 HydrophobicContact CG-CB 4.37Å; Y86-F94 HydrophobicContact CG-CD2 4.15Å; Y86-F94 AromaticContact CZ-CD2 3.83Å; R91-F94 WeakPolarHBondContact O-CB 3.49Å; R91-F94 PolarHBondContact O-N 2.84Å; D92-F94 PolarHBondContact O-N 3.45Å; F94-H96 PolarHBondContact O-N 3.16Å; F94-L97 HydrophobicContact CB-CD1 4.43Å; F94-L97 HydrophobicContact CD2-CD1 3.37Å; F94-L97 HydrophobicContact CE2-CD1 3.7Å; F94-L97 HydrophobicContact CG-CD1 3.97Å; F94-L97 WeakPolarHBondContact O-CB 3.17Å; F94-L97 WeakPolarHBondContact O-CD1 3.31Å; F94-L97 WeakPolarHBondContact O-CG 3.34Å; F94-L97 PolarHBondContact O-N 2.92Å; F94-V129 HydrophobicContact CB-CG1 4.41Å; F94-V129 HydrophobicContact CB-CG2 3.77Å; F94-V129 HydrophobicContact CD1-CG1 4.4Å; F94-V129 HydrophobicContact CD2-CG1 3.67Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.9Å; F94-V129 HydrophobicContact CG-CG2 4.14Å; F94-V129 HydrophobicContact CZ-CG1 4.45Å; F94-E133 HydrophobicContact CZ-CB 4.03Å; F94-F137 HydrophobicContact CE2-CB 4.36Å; F94-F137 HydrophobicContact CZ-CB 4.03Å; F94-F137 HydrophobicContact CZ-CD2 4.46Å; F94-F137 HydrophobicContact CZ-CG 4.46Å |
| 95 | N | 98.2 | Very high | 96.8 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.5 | -31.1 | 177.7 | -64.1 | -18.4 | 0 | 0 | 0 | 112.3 | R91 D92 L97 | R91-N95 PolarHBondContact O-N 3.31Å; D92-N95 PolarHBondContact O-N 3.45Å; D92-N95 VanDerWaalsContact O-N 3.13Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 3.33Å |
| 96 | H | 97.3 | Very high | 96.6 | Very high | 79 Ų | 79 | 45.8 Ų | 45.8 | 37% | 0.366 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7.4 | 176.4 | -61.1 | 152.4 | 0 | 0 | 0 | 114.6 | D14 D92 F94 T98 T99 W100 | D14-H96 IonicContact OD1-ND1 3.07Å; D14-H96 IonicContact OD2-CE1 3.4Å; D14-H96 IonicContact OD2-CG 2.7Å; D14-H96 IonicContact OD2-ND1 3.81Å; D14-H96 PolarHBondContact OD2-ND1 3.47Å; D92-H96 VanDerWaalsContact O-CG 3.27Å; D92-H96 PolarHBondContact O-N 2.9Å; D92-H96 PolarHBondContact O-ND1 2.76Å; F94-H96 PolarHBondContact O-N 3.16Å; H96-T98 PolarHBondContact O-N 2.8Å; H96-T99 PolarHBondContact O-N 3.43Å; H96-T99 VanDerWaalsContact O-N 3.16Å; H96-W100 VanDerWaalsContact O-CD1 3.27Å; H96-W100 PolarHBondContact O-N 2.92Å; H96-W100 VanDerWaalsContact O-N 3.14Å |
| 97 | L | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.7 | -38.5 | -179.5 | -72.7 | 170.4 | 0 | 0 | 0 | 112.4 | L84 Y86 F94 N95 T99 W100 L101 L116 F137 | L84-L97 HydrophobicContact CD1-CD2 3.78Å; L84-L97 HydrophobicContact CD2-CD2 3.77Å; L84-L97 HydrophobicContact CG-CD2 3.52Å; Y86-L97 HydrophobicContact CD1-CD1 3.9Å; Y86-L97 HydrophobicContact CD1-CD2 4.28Å; Y86-L97 HydrophobicContact CE1-CD1 4.42Å; Y86-L97 HydrophobicContact CG-CD1 4.26Å; F94-L97 HydrophobicContact CB-CD1 4.43Å; F94-L97 HydrophobicContact CD2-CD1 3.37Å; F94-L97 HydrophobicContact CE2-CD1 3.7Å; F94-L97 HydrophobicContact CG-CD1 3.97Å; F94-L97 WeakPolarHBondContact O-CB 3.17Å; F94-L97 WeakPolarHBondContact O-CD1 3.31Å; F94-L97 WeakPolarHBondContact O-CG 3.34Å; F94-L97 PolarHBondContact O-N 2.92Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 3.33Å; L97-T99 PolarHBondContact O-N 3.42Å; L97-W100 PolarHBondContact O-N 2.84Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 PolarHBondContact O-N 3.26Å; L97-L116 HydrophobicContact CD1-CD1 3.71Å; L97-L116 HydrophobicContact CD2-CD1 3.54Å; L97-L116 HydrophobicContact CG-CD1 4.27Å; L97-F137 HydrophobicContact CB-CE1 4Å; L97-F137 HydrophobicContact CB-CE2 4.03Å; L97-F137 HydrophobicContact CB-CZ 3.58Å; L97-F137 HydrophobicContact CD1-CD1 4.4Å; L97-F137 HydrophobicContact CD1-CE1 4.36Å |
| 98 | T | 96.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 50.3 Ų | 50.3 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -48.3 | 178.4 | -47.9 | 0 | 0 | 0 | 0 | 110.9 | H96 W100 L101 E102 | H96-T98 PolarHBondContact O-N 2.8Å; T98-W100 PolarHBondContact O-N 2.71Å; T98-L101 PolarHBondContact O-N 2.94Å; T98-E102 WeakPolarHBondContact O-CB 3.44Å; T98-E102 VanDerWaalsContact O-CG 3.32Å; T98-E102 WeakPolarHBondContact O-CG 3.35Å; T98-E102 PolarHBondContact O-N 3.28Å |
| 99 | T | 94.7 | Very high | 95.2 | Very high | 53 Ų | 53 | 52.1 Ų | 52.1 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 177.9 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | R69 H96 L97 D103 | R69-T99 VanDerWaalsContact NH1-CG2 3.27Å; H96-T99 PolarHBondContact O-N 3.43Å; H96-T99 VanDerWaalsContact O-N 3.16Å; L97-T99 PolarHBondContact O-N 3.42Å; T99-D103 WeakPolarHBondContact O-CB 3.47Å; T99-D103 PolarHBondContact O-N 3.33Å |
| 100 | W | 95.1 | Very high | 94.7 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 3% | 0.027 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 177.6 | -79.2 | 109 | 0 | 0 | 0 | 112.5 | I12 G13 D14 T72 L84 H96 L97 T98 A104 | I12-W100 HydrophobicContact CB-CE3 4Å; I12-W100 HydrophobicContact CB-CZ3 4.22Å; G13-W100 WeakPolarHBondContact O-CZ2 3.49Å; D14-W100 PolarHBondContact OD1-NE1 3.43Å; T72-W100 HydrophobicContact CG2-CZ3 4.05Å; L84-W100 HydrophobicContact CD1-CB 3.52Å; L84-W100 HydrophobicContact CD1-CG 4.17Å; H96-W100 VanDerWaalsContact O-CD1 3.27Å; H96-W100 PolarHBondContact O-N 2.92Å; H96-W100 VanDerWaalsContact O-N 3.14Å; L97-W100 PolarHBondContact O-N 2.84Å; T98-W100 PolarHBondContact O-N 2.71Å; W100-A104 WeakPolarHBondContact O-CB 3.41Å; W100-A104 PolarHBondContact O-N 3.13Å |
| 101 | L | 95.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 179.7 | 180 | 63.2 | 0 | 0 | 0 | 111.7 | L84 L97 T98 A104 R105 I114 F137 H141 L143 | L84-L101 HydrophobicContact CD2-CB 4.18Å; L97-L101 WeakPolarHBondContact O-CB 3.48Å; L97-L101 PolarHBondContact O-N 3.26Å; T98-L101 PolarHBondContact O-N 2.94Å; L101-A104 PolarHBondContact O-N 3.32Å; L101-R105 HydrophobicContact CD1-CG 4.34Å; L101-R105 WeakPolarHBondContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CG 3.41Å; L101-R105 PolarHBondContact O-N 2.8Å; L101-I114 HydrophobicContact CD1-CD1 3.6Å; L101-F137 HydrophobicContact CD2-CE1 4.19Å; L101-F137 HydrophobicContact CD2-CZ 4.19Å; L101-H141 HydrophobicContact CD2-CB 3.68Å; L101-H141 WeakPolarHBondContact CD2-CD2 3.5Å; L101-L143 HydrophobicContact CD1-CD1 4.35Å; L101-L143 HydrophobicContact CD1-CD2 3.93Å; L101-L143 HydrophobicContact CD2-CD1 4.26Å |
| 102 | E | 94.1 | Very high | 94.2 | Very high | 106 Ų | 106 | 52.4 Ų | 52.4 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | 173.7 | -76.1 | 177 | -178.5 | 0 | 0 | 111 | T98 A104 R105 Q106 | T98-E102 WeakPolarHBondContact O-CB 3.44Å; T98-E102 VanDerWaalsContact O-CG 3.32Å; T98-E102 WeakPolarHBondContact O-CG 3.35Å; T98-E102 PolarHBondContact O-N 3.28Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.14Å; E102-R105 PolarHBondContact O-N 3.5Å; E102-Q106 WeakPolarHBondContact O-CB 3.32Å; E102-Q106 VanDerWaalsContact O-CG 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.16Å; E102-Q106 PolarHBondContact O-N 2.63Å |
| 103 | D | 92.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.1 | -44.8 | 176.3 | -92.9 | -29.5 | 0 | 0 | 0 | 110.8 | R69 R73 Y76 T99 Q106 H107 | R69-D103 IonicContact NH1-OD2 2.76Å; R69-D103 PolarHBondContact NH1-OD2 2.7Å; R73-D103 IonicContact CZ-OD1 3.45Å; R73-D103 IonicContact NE-OD1 3.31Å; R73-D103 PolarHBondContact NE-OD1 3.25Å; R73-D103 IonicContact NH2-OD1 2.79Å; R73-D103 PolarHBondContact NH2-OD1 2.88Å; R73-D103 IonicContact NH2-OD2 3.65Å; Y76-D103 HydrophobicContact CE2-CB 4.22Å; T99-D103 WeakPolarHBondContact O-CB 3.47Å; T99-D103 PolarHBondContact O-N 3.33Å; D103-Q106 PolarHBondContact O-N 2.79Å; D103-H107 PolarHBondContact O-N 3.43Å; D103-H107 PolarHBondContact O-ND1 3.5Å |
| 104 | A | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I12 Y76 W100 L101 E102 H107 S108 M112 | I12-A104 HydrophobicContact CD1-CB 3.88Å; Y76-A104 HydrophobicContact CD1-CB 3.97Å; Y76-A104 VanDerWaalsContact CE1-CA 3.48Å; Y76-A104 HydrophobicContact CE1-CB 3.51Å; W100-A104 WeakPolarHBondContact O-CB 3.41Å; W100-A104 PolarHBondContact O-N 3.13Å; L101-A104 PolarHBondContact O-N 3.32Å; E102-A104 VanDerWaalsContact C-N 3.3Å; E102-A104 PolarHBondContact O-N 3.14Å; A104-H107 PolarHBondContact O-N 3.26Å; A104-S108 VanDerWaalsContact O-CB 3.22Å; A104-S108 WeakPolarHBondContact O-CB 3.19Å; A104-S108 PolarHBondContact O-N 3Å; A104-S108 VanDerWaalsContact O-N 3.1Å; A104-S108 PolarHBondContact O-OG 3.03Å; A104-M112 HydrophobicContact CB-CE 4.04Å |
| 105 | R | 93.7 | Very high | 94.1 | Very high | 124 Ų | 124 | 46.9 Ų | 46.9 | 47% | 0.468 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.5 | -35.1 | -179.9 | -75.9 | 178.6 | 167.3 | 177.5 | -4 | 113.3 | L101 E102 H107 H141 | L101-R105 HydrophobicContact CD1-CG 4.34Å; L101-R105 WeakPolarHBondContact O-CB 3.3Å; L101-R105 WeakPolarHBondContact O-CG 3.41Å; L101-R105 PolarHBondContact O-N 2.8Å; E102-R105 PolarHBondContact O-N 3.5Å; R105-H107 VanDerWaalsContact C-N 3.28Å; R105-H107 PolarHBondContact O-N 2.71Å; R105-H141 PolarHBondContact NH2-O 3.42Å |
| 106 | Q | 92.7 | Very high | 94.2 | Very high | 136 Ų | 136 | 42.9 Ų | 42.9 | 64% | 0.636 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -68.9 | -25.7 | 178.8 | -74.7 | 177 | 12.2 | 0 | 0 | 113.3 | E102 D103 | E102-Q106 WeakPolarHBondContact O-CB 3.32Å; E102-Q106 VanDerWaalsContact O-CG 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.16Å; E102-Q106 PolarHBondContact O-N 2.63Å; D103-Q106 PolarHBondContact O-N 2.79Å |
| 107 | H | 91.1 | Very high | 94.2 | Very high | 70 Ų | 70 | 39.1 Ų | 39.1 | 32% | 0.324 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -118.5 | 3.5 | -170.5 | -58.7 | 88.5 | 0 | 0 | 0 | 114.3 | Y76 R77 D103 A104 R105 | Y76-H107 CarbonylContact C-O 3.43Å; Y76-H107 WeakPolarHBondContact CB-O 3.4Å; Y76-H107 HydrophobicContact CD2-CB 3.65Å; Y76-H107 HydrophobicContact CG-CB 3.98Å; R77-H107 PolarHBondContact N-O 2.97Å; D103-H107 PolarHBondContact O-N 3.43Å; D103-H107 PolarHBondContact O-ND1 3.5Å; A104-H107 PolarHBondContact O-N 3.26Å; R105-H107 VanDerWaalsContact C-N 3.28Å; R105-H107 PolarHBondContact O-N 2.71Å |
| 108 | S | 89.9 | Confident | 94.3 | Very high | 25 Ų | 25 | 39 Ų | 39 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -121.1 | 177.6 | 178.3 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | A104 M112 | A104-S108 VanDerWaalsContact O-CB 3.22Å; A104-S108 WeakPolarHBondContact O-CB 3.19Å; A104-S108 PolarHBondContact O-N 3Å; A104-S108 VanDerWaalsContact O-N 3.1Å; A104-S108 PolarHBondContact O-OG 3.03Å; S108-M112 VanDerWaalsContact CB-SD 3.6Å; S108-M112 WeakPolarHBondContact OG-CE 3.38Å |
| 109 | N | 86.5 | Confident | 94.4 | Very high | 39 Ų | 39 | 36.5 Ų | 36.5 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | trans | -72 | 140.4 | 171 | -174.5 | -46.4 | 0 | 0 | 0 | 109.6 | N111 M112 N183 | N109-N111 PolarHBondContact O-N 2.86Å; N109-N111 WeakPolarHBondContact OD1-CB 3.43Å; N109-N111 PolarHBondContact OD1-N 2.75Å; N109-M112 VanDerWaalsContact O-CB 3.23Å; N109-M112 WeakPolarHBondContact O-CB 3.5Å; N109-M112 PolarHBondContact O-N 2.91Å; N109-N183 PolarHBondContact ND2-OD1 2.8Å | ||
| 110 | S | 88.2 | Confident | 94.6 | Very high | 115 Ų | 115 | 36.4 Ų | 36.4 | 80% | 0.804 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -24.3 | 174 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 111 | N | 91.2 | Very high | 94.7 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 24% | 0.235 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.5 | -179.7 | -62.4 | -14.8 | 0 | 0 | 0 | 113.2 | N109 V113 K170 V175 F176 | N109-N111 PolarHBondContact O-N 2.86Å; N109-N111 WeakPolarHBondContact OD1-CB 3.43Å; N109-N111 PolarHBondContact OD1-N 2.75Å; N111-V113 PolarHBondContact O-N 3.05Å; N111-K170 PolarHBondContact O-NZ 3Å; N111-V175 HydrophobicContact CB-CG1 4.24Å; N111-V175 PolarHBondContact ND2-O 3.43Å; N111-F176 HydrophobicContact CB-CD1 4.08Å; N111-F176 HydrophobicContact CB-CE1 3.53Å; N111-F176 HydrophobicContact CB-CZ 3.82Å; N111-F176 WeakPolarHBondContact O-CZ 3.26Å |
| 112 | M | 94.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 6% | 0.064 | 20% | 0.203 | C | C | . | . | trans | -53.2 | 126.5 | 178.9 | -177.7 | 174.7 | 72.1 | 0 | 0 | 110.2 | I10 A79 A82 A104 S108 N109 I114 | I10-M112 HydrophobicContact CD1-SD 4.41Å; A79-M112 HydrophobicContact CB-SD 3.72Å; A82-M112 HydrophobicContact CB-CE 3.84Å; A82-M112 HydrophobicContact CB-SD 3.91Å; A104-M112 HydrophobicContact CB-CE 4.04Å; S108-M112 VanDerWaalsContact CB-SD 3.6Å; S108-M112 WeakPolarHBondContact OG-CE 3.38Å; N109-M112 VanDerWaalsContact O-CB 3.23Å; N109-M112 WeakPolarHBondContact O-CB 3.5Å; N109-M112 PolarHBondContact O-N 2.91Å; M112-I114 HydrophobicContact CE-CD1 3.75Å; M112-I114 HydrophobicContact CE-CG1 3.88Å; M112-I114 HydrophobicContact CG-CG1 4.48Å | ||
| 113 | V | 97.2 | Very high | 95 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 130.4 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 108.9 | A80 G81 A82 N111 I144 T163 E166 I167 K170 | A80-V113 PolarHBondContact O-N 2.8Å; G81-V113 CarbonylContact C-O 3.48Å; G81-V113 WeakPolarHBondContact CA-O 3.19Å; A82-V113 PolarHBondContact N-O 3.04Å; N111-V113 PolarHBondContact O-N 3.05Å; V113-I144 HydrophobicContact CG1-CD1 4.09Å; V113-T163 HydrophobicContact CG1-CG2 3.99Å; V113-E166 HydrophobicContact CB-CG 4.25Å; V113-E166 HydrophobicContact CG1-CB 3.9Å; V113-E166 HydrophobicContact CG1-CG 3.6Å; V113-E166 HydrophobicContact CG2-CB 4.24Å; V113-E166 HydrophobicContact CG2-CG 3.57Å; V113-I167 HydrophobicContact CB-CD1 4.35Å; V113-I167 HydrophobicContact CB-CG1 3.71Å; V113-I167 HydrophobicContact CG1-CG1 4.47Å; V113-I167 HydrophobicContact CG2-CB 4.47Å; V113-I167 HydrophobicContact CG2-CG1 3.52Å; V113-K170 HydrophobicContact CG2-CD 3.88Å |
| 114 | I | 98.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.067 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.2 | 179.8 | -53.5 | -177.7 | 0 | 0 | 0 | 109.3 | A82 L84 L101 M112 L143 I144 | A82-I114 HydrophobicContact CB-CG1 4.29Å; A82-I114 WeakPolarHBondContact O-CA 3.12Å; L84-I114 HydrophobicContact CB-CG2 4.07Å; L101-I114 HydrophobicContact CD1-CD1 3.6Å; M112-I114 HydrophobicContact CE-CD1 3.75Å; M112-I114 HydrophobicContact CE-CG1 3.88Å; M112-I114 HydrophobicContact CG-CG1 4.48Å; I114-L143 HydrophobicContact CB-CD2 3.83Å; I114-L143 HydrophobicContact CD1-CD2 4.37Å; I114-L143 HydrophobicContact CG2-CD1 4.45Å; I114-L143 HydrophobicContact CG2-CD2 4Å; I114-I144 PolarHBondContact O-N 2.89Å; I114-I144 VanDerWaalsContact O-N 3.1Å |
| 115 | M | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 116.4 | 171.8 | 171.2 | 74.5 | 71.5 | 0 | 0 | 108.7 | A82 L83 L84 I117 I144 M146 N162 T163 | A82-M115 PolarHBondContact O-N 3.49Å; L83-M115 WeakPolarHBondContact CA-O 3.48Å; L83-M115 HydrophobicContact CD2-CB 3.68Å; L83-M115 HydrophobicContact CD2-CG 4.02Å; L84-M115 PolarHBondContact N-O 2.8Å; M115-I117 HydrophobicContact CG-CD1 4.19Å; M115-I117 HydrophobicContact CG-CG1 3.73Å; M115-I144 CarbonylContact C-O 3.56Å; M115-I144 HydrophobicContact CE-CB 3.83Å; M115-I144 HydrophobicContact CE-CD1 4.32Å; M115-I144 HydrophobicContact CE-CG2 3.43Å; M115-I144 VanDerWaalsContact CE-CG2 3.43Å; M115-I144 HydrophobicContact SD-CB 3.79Å; M115-I144 HydrophobicContact SD-CG2 3.63Å; M115-M146 HydrophobicContact SD-CB 4.04Å; M115-N162 HydrophobicContact CE-CB 3.98Å; M115-T163 WeakPolarHBondContact CB-OG1 3.23Å |
| 116 | L | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 126.4 | 168.6 | 180 | 66.5 | 0 | 0 | 0 | 109.8 | L84 Y86 L97 F137 A138 L143 I144 F145 M146 | L84-L116 HydrophobicContact CD2-CD1 4.2Å; L84-L116 HydrophobicContact CG-CD1 4.1Å; L84-L116 CarbonylContact O-C 3.54Å; L84-L116 WeakPolarHBondContact O-CA 3.08Å; Y86-L116 HydrophobicContact CD1-CD1 3.9Å; Y86-L116 HydrophobicContact CD1-CG 4.44Å; Y86-L116 HydrophobicContact CE1-CD1 4.11Å; Y86-L116 HydrophobicContact CE1-CD2 4.42Å; Y86-L116 HydrophobicContact CE1-CG 4.17Å; L97-L116 HydrophobicContact CD1-CD1 3.71Å; L97-L116 HydrophobicContact CD2-CD1 3.54Å; L97-L116 HydrophobicContact CG-CD1 4.27Å; L116-F137 HydrophobicContact CD2-CB 4.44Å; L116-F137 HydrophobicContact CD2-CD1 3.8Å; L116-F137 HydrophobicContact CD2-CG 4.5Å; L116-A138 HydrophobicContact CB-CB 4.44Å; L116-A138 HydrophobicContact CD2-CB 4.03Å; L116-L143 HydrophobicContact CB-CD1 4.28Å; L116-I144 PolarHBondContact N-O 2.91Å; L116-F145 HydrophobicContact CB-CD2 4.09Å; L116-F145 HydrophobicContact CD2-CD2 3.72Å; L116-F145 HydrophobicContact CD2-CE2 4.18Å; L116-F145 HydrophobicContact CG-CD2 3.81Å; L116-F145 HydrophobicContact CG-CE2 4.29Å; L116-F145 WeakPolarHBondContact O-CA 3.38Å; L116-M146 PolarHBondContact O-N 3.07Å |
| 117 | I | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 115.3 | -178.7 | -60.5 | -176 | 0 | 0 | 0 | 110.5 | L22 L83 L84 V85 Y86 M115 N119 M146 T148 A159 | L22-I117 HydrophobicContact CD1-CD1 4.48Å; L22-I117 HydrophobicContact CD1-CG2 4.12Å; L83-I117 HydrophobicContact CB-CD1 4.02Å; L83-I117 HydrophobicContact CD1-CD1 3.95Å; L83-I117 HydrophobicContact CD2-CD1 4.14Å; L83-I117 HydrophobicContact CG-CD1 4.25Å; L84-I117 PolarHBondContact O-N 3.33Å; V85-I117 WeakPolarHBondContact CA-O 3.47Å; V85-I117 HydrophobicContact CG1-CB 4.32Å; V85-I117 HydrophobicContact CG1-CG2 4.22Å; V85-I117 HydrophobicContact CG2-CB 4.24Å; V85-I117 HydrophobicContact CG2-CD1 4.48Å; Y86-I117 VanDerWaalsContact CD1-O 3.27Å; Y86-I117 WeakPolarHBondContact CD1-O 3.27Å; Y86-I117 PolarHBondContact N-O 3Å; M115-I117 HydrophobicContact CG-CD1 4.19Å; M115-I117 HydrophobicContact CG-CG1 3.73Å; I117-N119 HydrophobicContact CG2-CB 4.23Å; I117-N119 PolarHBondContact O-N 2.99Å; I117-M146 VanDerWaalsContact CA-O 3.3Å; I117-M146 WeakPolarHBondContact CA-O 3.47Å; I117-T148 HydrophobicContact CG2-CG2 3.67Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.1Å; I117-A159 HydrophobicContact CD1-CB 3.88Å |
| 118 | G | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 94 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y86 M146 E147 T148 | Y86-G118 VanDerWaalsContact CZ-CA 3.43Å; G118-M146 PolarHBondContact N-O 3.41Å; G118-E147 CarbonylContact O-C 3.57Å; G118-E147 WeakPolarHBondContact O-CA 3.3Å; G118-T148 PolarHBondContact O-N 2.88Å |
| 119 | N | 98.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 163.4 | -175.5 | -166.8 | 32.1 | 0 | 0 | 0 | 112.3 | V17 L22 V85 Y86 I88 I117 T148 A150 | V17-N119 PolarHBondContact O-ND2 2.91Å; L22-N119 HydrophobicContact CD1-CB 4.33Å; V85-N119 HydrophobicContact CG1-CB 3.81Å; Y86-N119 PolarHBondContact O-N 2.95Å; I88-N119 WeakPolarHBondContact CG1-O 3.43Å; I88-N119 PolarHBondContact N-O 3.31Å; I117-N119 HydrophobicContact CG2-CB 4.23Å; I117-N119 PolarHBondContact O-N 2.99Å; N119-T148 CarbonylContact C-O 3.58Å; N119-T148 WeakPolarHBondContact CA-O 3.28Å; N119-T148 PolarHBondContact OD1-O 3.46Å; N119-T148 PolarHBondContact OD1-OG1 2.84Å; N119-A150 PolarHBondContact OD1-N 3.38Å |
| 120 | K | 98.3 | Very high | 97.3 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 23% | 0.226 | 26% | 0.259 | C | S | . | . | trans | 71.6 | 34.2 | -178.4 | -44.8 | -169.6 | -166.8 | 169.7 | 0 | 114.4 | G16 D87 I88 D122 L123 T148 | G16-K120 WeakPolarHBondContact O-CE 3.27Å; G16-K120 PolarHBondContact O-NZ 2.86Å; D87-K120 WeakPolarHBondContact OD1-CD 3.44Å; D87-K120 VanDerWaalsContact OD2-CE 3.26Å; D87-K120 WeakPolarHBondContact OD2-CE 3.48Å; D87-K120 IonicContact OD2-NZ 3.65Å; D87-K120 PolarHBondContact OD2-NZ 3.04Å; I88-K120 WeakPolarHBondContact CD1-O 3.36Å; K120-D122 PolarHBondContact O-N 3.06Å; K120-L123 HydrophobicContact CB-CD1 4.15Å; K120-L123 HydrophobicContact CB-CG 4.39Å; K120-L123 HydrophobicContact CD-CD1 4.15Å; K120-L123 WeakPolarHBondContact O-CB 3.44Å; K120-L123 PolarHBondContact O-N 3.34Å; K120-T148 PolarHBondContact N-O 3.34Å | ||
| 121 | S | 98.6 | Very high | 97.8 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 19% | 0.189 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -56.1 | -17 | 172 | 53.7 | 0 | 0 | 0 | 0 | 114.7 | L123 T148 S149 | S121-L123 PolarHBondContact O-N 3.06Å; S121-T148 PolarHBondContact N-O 3.11Å; S121-T148 PolarHBondContact OG-O 3.49Å; S121-S149 WeakPolarHBondContact OG-CB 3.47Å; S121-S149 PolarHBondContact OG-N 3.18Å |
| 122 | D | 98.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -69.6 | -13.5 | 171.1 | 60.8 | -79.2 | 0 | 0 | 0 | 114.1 | K120 S149 K151 T152 | K120-D122 PolarHBondContact O-N 3.06Å; D122-S149 WeakPolarHBondContact CB-OG 3.22Å; D122-S149 VanDerWaalsContact CG-OG 3.27Å; D122-S149 WeakPolarHBondContact OD1-CB 3.27Å; D122-S149 PolarHBondContact OD1-OG 3.28Å; D122-K151 WeakPolarHBondContact OD2-CD 3.34Å; D122-K151 IonicContact OD2-NZ 2.67Å; D122-T152 HydrophobicContact CB-CG2 3.94Å |
| 123 | L | 97.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 55.7 Ų | 55.7 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -101.4 | 40.6 | -179.6 | -58 | -177.6 | 0 | 0 | 0 | 112.4 | T89 K120 S121 S125 R126 | T89-L123 HydrophobicContact CG2-CB 3.6Å; T89-L123 HydrophobicContact CG2-CD1 4.06Å; T89-L123 HydrophobicContact CG2-CG 4.48Å; K120-L123 HydrophobicContact CB-CD1 4.15Å; K120-L123 HydrophobicContact CB-CG 4.39Å; K120-L123 HydrophobicContact CD-CD1 4.15Å; K120-L123 WeakPolarHBondContact O-CB 3.44Å; K120-L123 PolarHBondContact O-N 3.34Å; S121-L123 PolarHBondContact O-N 3.06Å; L123-S125 PolarHBondContact O-N 3.38Å; L123-S125 VanDerWaalsContact O-N 3.11Å; L123-R126 PolarHBondContact O-N 2.59Å |
| 124 | E | 97.6 | Very high | 98.4 | Very high | 106 Ų | 106 | 55.5 Ų | 55.5 | 50% | 0.495 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -52.4 | -36.6 | -174.9 | -170.1 | 58.6 | -148 | 0 | 0 | 113.8 | R126 R127 | E124-R126 PolarHBondContact O-N 3.39Å; E124-R126 VanDerWaalsContact O-N 3.11Å; E124-R127 VanDerWaalsContact CD-NE 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.3Å; E124-R127 WeakPolarHBondContact O-CB 3.33Å; E124-R127 PolarHBondContact O-N 3.21Å; E124-R127 VanDerWaalsContact O-N 3.12Å; E124-R127 WeakPolarHBondContact OE1-CD 3.37Å; E124-R127 IonicContact OE1-CZ 3.58Å; E124-R127 IonicContact OE1-NE 3.03Å; E124-R127 PolarHBondContact OE1-NE 3.38Å; E124-R127 IonicContact OE1-NH2 3.27Å; E124-R127 IonicContact OE2-CZ 2.68Å; E124-R127 VanDerWaalsContact OE2-CZ 3.3Å; E124-R127 IonicContact OE2-NE 3.24Å; E124-R127 PolarHBondContact OE2-NE 2.96Å; E124-R127 IonicContact OE2-NH2 2.64Å; E124-R127 PolarHBondContact OE2-NH2 3.13Å |
| 125 | S | 97.9 | Very high | 98.4 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 83% | 0.832 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -66.5 | -11.8 | 178.1 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | L123 | L123-S125 PolarHBondContact O-N 3.38Å; L123-S125 VanDerWaalsContact O-N 3.11Å |
| 126 | R | 98 | Very high | 98.4 | Very high | 175 Ų | 175 | 60.1 Ų | 60.1 | 66% | 0.66 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -114.9 | 12.7 | 177.6 | -58.6 | -176.4 | -177.6 | -177 | -0.2 | 112.2 | T89 L123 E124 E128 | T89-R126 VanDerWaalsContact CA-O 3.31Å; T89-R126 WeakPolarHBondContact CA-O 3.43Å; T89-R126 WeakPolarHBondContact CB-O 3.33Å; T89-R126 HydrophobicContact CG2-CB 3.91Å; L123-R126 PolarHBondContact O-N 2.59Å; E124-R126 PolarHBondContact O-N 3.39Å; E124-R126 VanDerWaalsContact O-N 3.11Å; R126-E128 PolarHBondContact O-N 2.91Å |
| 127 | R | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 61 Ų | 61 | 21% | 0.211 | 30% | 0.297 | C | S | . | . | trans | -60.3 | 126.3 | -178.7 | 178.8 | -179.3 | -71 | -85.4 | 5.5 | 110.8 | I88 E124 V129 E147 | I88-R127 HydrophobicContact CD1-CB 4.49Å; I88-R127 HydrophobicContact CD1-CG 4.48Å; E124-R127 VanDerWaalsContact CD-NE 3.26Å; E124-R127 VanDerWaalsContact O-CB 3.3Å; E124-R127 WeakPolarHBondContact O-CB 3.33Å; E124-R127 PolarHBondContact O-N 3.21Å; E124-R127 VanDerWaalsContact O-N 3.12Å; E124-R127 WeakPolarHBondContact OE1-CD 3.37Å; E124-R127 IonicContact OE1-CZ 3.58Å; E124-R127 IonicContact OE1-NE 3.03Å; E124-R127 PolarHBondContact OE1-NE 3.38Å; E124-R127 IonicContact OE1-NH2 3.27Å; E124-R127 IonicContact OE2-CZ 2.68Å; E124-R127 VanDerWaalsContact OE2-CZ 3.3Å; E124-R127 IonicContact OE2-NE 3.24Å; E124-R127 PolarHBondContact OE2-NE 2.96Å; E124-R127 IonicContact OE2-NH2 2.64Å; E124-R127 PolarHBondContact OE2-NH2 3.13Å; R127-V129 VanDerWaalsContact CD-O 3.28Å; R127-V129 WeakPolarHBondContact CD-O 3.26Å; R127-V129 WeakPolarHBondContact CG-O 3.26Å; R127-V129 PolarHBondContact NH1-O 3.49Å; R127-E147 IonicContact CZ-OE1 3.85Å; R127-E147 IonicContact CZ-OE2 3.3Å; R127-E147 IonicContact NH1-OE1 2.73Å; R127-E147 PolarHBondContact NH1-OE1 2.89Å; R127-E147 IonicContact NH1-OE2 2.99Å; R127-E147 IonicContact NH2-OE1 3.59Å; R127-E147 PolarHBondContact NH2-OE1 2.95Å; R127-E147 IonicContact NH2-OE2 2.76Å; R127-E147 PolarHBondContact NH2-OE2 2.89Å | ||
| 128 | E | 98.7 | Very high | 98.4 | Very high | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | trans | -109.4 | -20.1 | 173.2 | -65.5 | -174.2 | 179.3 | 0 | 0 | 112.3 | I88 R90 R91 R126 | I88-E128 PolarHBondContact O-N 2.88Å; R90-E128 WeakPolarHBondContact CA-OE2 3.47Å; R91-E128 HydrophobicContact CB-CB 4.3Å; R91-E128 PolarHBondContact N-OE2 2.86Å; R91-E128 PolarHBondContact NE-O 2.74Å; R91-E128 PolarHBondContact NH2-O 2.89Å; R126-E128 PolarHBondContact O-N 2.91Å | ||
| 129 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -116.1 | 119.8 | 179.7 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | Y86 I88 F94 R127 E133 | Y86-V129 HydrophobicContact CD2-CG2 4.49Å; Y86-V129 HydrophobicContact CE2-CB 3.98Å; Y86-V129 HydrophobicContact CE2-CG1 3.81Å; Y86-V129 HydrophobicContact CE2-CG2 4.18Å; I88-V129 PolarHBondContact O-N 3.33Å; I88-V129 VanDerWaalsContact O-N 3.11Å; F94-V129 HydrophobicContact CB-CG1 4.41Å; F94-V129 HydrophobicContact CB-CG2 3.77Å; F94-V129 HydrophobicContact CD1-CG1 4.4Å; F94-V129 HydrophobicContact CD2-CG1 3.67Å; F94-V129 HydrophobicContact CE2-CG1 3.97Å; F94-V129 HydrophobicContact CG-CG1 3.9Å; F94-V129 HydrophobicContact CG-CG2 4.14Å; F94-V129 HydrophobicContact CZ-CG1 4.45Å; R127-V129 VanDerWaalsContact CD-O 3.28Å; R127-V129 WeakPolarHBondContact CD-O 3.26Å; R127-V129 WeakPolarHBondContact CG-O 3.26Å; R127-V129 PolarHBondContact NH1-O 3.49Å; V129-E133 HydrophobicContact CG1-CB 4.16Å |
| 130 | K | 98.5 | Very high | 98.3 | Very high | 135 Ų | 135 | 77 Ų | 77 | 59% | 0.587 | 37% | 0.365 | S | S | * | . | trans | -70.7 | 149.1 | 176.9 | -61.3 | -175.2 | 178.4 | -179.7 | 0 | 110.5 | E132 E133 | K130-E132 WeakPolarHBondContact CB-OE2 3.41Å; K130-E132 PolarHBondContact O-N 3.42Å; K130-E133 HydrophobicContact CB-CG 4.15Å; K130-E133 WeakPolarHBondContact CB-OE2 3.45Å; K130-E133 PolarHBondContact N-OE2 2.84Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 3.43Å; K130-E133 VanDerWaalsContact O-N 3.07Å | ||
| 131 | K | 98.4 | Very high | 98.3 | Very high | 89 Ų | 89 | 76.4 Ų | 76.4 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.4 | -38.1 | 179.5 | -171.5 | -176.1 | 179.6 | -131.7 | 0 | 111.6 | E133 G134 E135 F145 E147 | K131-E133 PolarHBondContact O-N 2.87Å; K131-G134 PolarHBondContact O-N 2.89Å; K131-G134 VanDerWaalsContact O-N 3.14Å; K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 IonicContact NZ-OE1 3.54Å; K131-E135 PolarHBondContact NZ-OE1 2.95Å; K131-E135 PolarHBondContact O-N 3.44Å; K131-F145 HydrophobicContact CG-CE1 3.87Å; K131-F145 HydrophobicContact CG-CZ 4.35Å; K131-E147 HydrophobicContact CG-CG 4.3Å |
| 132 | E | 98.5 | Very high | 98.2 | Very high | 121 Ų | 121 | 78.4 Ų | 78.4 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.7 | -28.9 | 179.8 | -60.5 | 75.2 | -163.2 | 0 | 0 | 112.4 | K130 A136 | K130-E132 WeakPolarHBondContact CB-OE2 3.41Å; K130-E132 PolarHBondContact O-N 3.42Å; E132-A136 VanDerWaalsContact O-CB 3.23Å; E132-A136 WeakPolarHBondContact O-CB 3.31Å; E132-A136 PolarHBondContact O-N 3.48Å |
| 133 | E | 98.5 | Very high | 98.1 | Very high | 63 Ų | 63 | 76.9 Ų | 76.9 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.1 | -40.6 | 176.5 | -62.2 | 177.1 | 85.9 | 0 | 0 | 111.1 | R91 F94 V129 K130 K131 A136 F137 | R91-E133 IonicContact CZ-OE1 3.71Å; R91-E133 VanDerWaalsContact CZ-OE1 3.27Å; R91-E133 IonicContact CZ-OE2 2.91Å; R91-E133 IonicContact NH1-OE1 3.71Å; R91-E133 PolarHBondContact NH1-OE1 3.09Å; R91-E133 IonicContact NH1-OE2 2.67Å; R91-E133 VanDerWaalsContact NH2-CD 3.27Å; R91-E133 IonicContact NH2-OE1 3.75Å; R91-E133 PolarHBondContact NH2-OE1 3.31Å; R91-E133 IonicContact NH2-OE2 3.74Å; R91-E133 PolarHBondContact NH2-OE2 3.07Å; F94-E133 HydrophobicContact CZ-CB 4.03Å; V129-E133 HydrophobicContact CG1-CB 4.16Å; K130-E133 HydrophobicContact CB-CG 4.15Å; K130-E133 WeakPolarHBondContact CB-OE2 3.45Å; K130-E133 PolarHBondContact N-OE2 2.84Å; K130-E133 WeakPolarHBondContact O-CB 3.46Å; K130-E133 PolarHBondContact O-N 3.43Å; K130-E133 VanDerWaalsContact O-N 3.07Å; K131-E133 PolarHBondContact O-N 2.87Å; E133-A136 PolarHBondContact O-N 2.94Å; E133-F137 WeakPolarHBondContact O-CB 3.44Å; E133-F137 PolarHBondContact O-N 3.12Å |
| 134 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K131 A136 F137 A138 | K131-G134 PolarHBondContact O-N 2.89Å; K131-G134 VanDerWaalsContact O-N 3.14Å; G134-A136 VanDerWaalsContact C-N 3.35Å; G134-A136 PolarHBondContact O-N 2.84Å; G134-F137 PolarHBondContact O-N 2.9Å; G134-A138 WeakPolarHBondContact O-CB 3.41Å; G134-A138 PolarHBondContact O-N 3.26Å |
| 135 | E | 98.6 | Very high | 98.2 | Very high | 64 Ų | 64 | 73.9 Ų | 73.9 | 30% | 0.299 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 175.4 | -70.2 | 175.3 | 179.3 | 0 | 0 | 112.3 | K131 R139 F145 | K131-E135 WeakPolarHBondContact CE-OE1 3.45Å; K131-E135 IonicContact NZ-OE1 3.54Å; K131-E135 PolarHBondContact NZ-OE1 2.95Å; K131-E135 PolarHBondContact O-N 3.44Å; E135-R139 WeakPolarHBondContact O-CB 3.23Å; E135-R139 PolarHBondContact O-N 2.97Å; E135-R139 VanDerWaalsContact O-N 3.13Å; E135-F145 HydrophobicContact CB-CD1 4.32Å; E135-F145 HydrophobicContact CG-CD1 3.4Å; E135-F145 VanDerWaalsContact CG-CD1 3.4Å; E135-F145 HydrophobicContact CG-CE1 3.57Å; E135-F145 HydrophobicContact CG-CG 4.42Å |
| 136 | A | 98.7 | Very high | 98.2 | Very high | 46 Ų | 46 | 69.7 Ų | 69.7 | 38% | 0.38 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.4 | -49.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E132 E133 G134 A138 R139 E140 | E132-A136 VanDerWaalsContact O-CB 3.23Å; E132-A136 WeakPolarHBondContact O-CB 3.31Å; E132-A136 PolarHBondContact O-N 3.48Å; E133-A136 PolarHBondContact O-N 2.94Å; G134-A136 VanDerWaalsContact C-N 3.35Å; G134-A136 PolarHBondContact O-N 2.84Å; A136-A138 VanDerWaalsContact C-N 3.35Å; A136-A138 PolarHBondContact O-N 3.11Å; A136-R139 PolarHBondContact O-N 2.76Å; A136-E140 WeakPolarHBondContact O-CB 3.37Å; A136-E140 PolarHBondContact O-N 3.28Å |
| 137 | F | 98.7 | Very high | 98.3 | Very high | 18 Ų | 18 | 62.3 Ų | 62.3 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 178.7 | -177 | -81.3 | 0 | 0 | 0 | 111.8 | F94 L97 L101 L116 E133 G134 R139 E140 H141 L143 | F94-F137 HydrophobicContact CE2-CB 4.36Å; F94-F137 HydrophobicContact CZ-CB 4.03Å; F94-F137 HydrophobicContact CZ-CD2 4.46Å; F94-F137 HydrophobicContact CZ-CG 4.46Å; L97-F137 HydrophobicContact CB-CE1 4Å; L97-F137 HydrophobicContact CB-CE2 4.03Å; L97-F137 HydrophobicContact CB-CZ 3.58Å; L97-F137 HydrophobicContact CD1-CD1 4.4Å; L97-F137 HydrophobicContact CD1-CE1 4.36Å; L101-F137 HydrophobicContact CD2-CE1 4.19Å; L101-F137 HydrophobicContact CD2-CZ 4.19Å; L116-F137 HydrophobicContact CD2-CB 4.44Å; L116-F137 HydrophobicContact CD2-CD1 3.8Å; L116-F137 HydrophobicContact CD2-CG 4.5Å; E133-F137 WeakPolarHBondContact O-CB 3.44Å; E133-F137 PolarHBondContact O-N 3.12Å; G134-F137 PolarHBondContact O-N 2.9Å; F137-R139 PolarHBondContact O-N 2.99Å; F137-E140 PolarHBondContact O-N 3.1Å; F137-H141 AromaticContact CD1-ND1 3.9Å; F137-H141 AromaticContact CD2-CE1 3.96Å; F137-H141 AromaticContact CD2-ND1 3.97Å; F137-H141 AromaticContact CE1-ND1 3.82Å; F137-H141 AromaticContact CE2-CE1 3.64Å; F137-H141 AromaticContact CE2-ND1 3.88Å; F137-H141 AromaticContact CG-ND1 3.99Å; F137-H141 AromaticContact CZ-CE1 3.83Å; F137-H141 AromaticContact CZ-ND1 3.8Å; F137-H141 WeakPolarHBondContact O-CB 3.41Å; F137-H141 PolarHBondContact O-N 3.39Å; F137-H141 VanDerWaalsContact O-N 3.09Å; F137-H141 PolarHBondContact O-ND1 3.37Å; F137-L143 HydrophobicContact CD1-CD1 4.2Å; F137-L143 HydrophobicContact CE1-CD1 3.92Å |
| 138 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L116 G134 A136 H141 G142 L143 F145 | L116-A138 HydrophobicContact CB-CB 4.44Å; L116-A138 HydrophobicContact CD2-CB 4.03Å; G134-A138 WeakPolarHBondContact O-CB 3.41Å; G134-A138 PolarHBondContact O-N 3.26Å; A136-A138 VanDerWaalsContact C-N 3.35Å; A136-A138 PolarHBondContact O-N 3.11Å; A138-H141 CarbonylContact O-C 3.53Å; A138-H141 PolarHBondContact O-N 3.35Å; A138-G142 PolarHBondContact O-N 3.49Å; A138-L143 HydrophobicContact CB-CB 4.09Å; A138-L143 PolarHBondContact O-N 2.94Å; A138-F145 HydrophobicContact CB-CB 3.65Å; A138-F145 HydrophobicContact CB-CG 4.43Å |
| 139 | R | 98.1 | Very high | 98.3 | Very high | 185 Ų | 185 | 54.5 Ų | 54.5 | 70% | 0.698 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 177.3 | -169.2 | -169.8 | -24.8 | -138.4 | -2.2 | 112.3 | E135 A136 F137 H141 G142 | E135-R139 WeakPolarHBondContact O-CB 3.23Å; E135-R139 PolarHBondContact O-N 2.97Å; E135-R139 VanDerWaalsContact O-N 3.13Å; A136-R139 PolarHBondContact O-N 2.76Å; F137-R139 PolarHBondContact O-N 2.99Å; R139-H141 PolarHBondContact O-N 2.61Å; R139-G142 PolarHBondContact O-N 2.92Å |
| 140 | E | 98 | Very high | 98.2 | Very high | 153 Ų | 153 | 54.7 Ų | 54.7 | 72% | 0.715 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -57.8 | -38 | 177.5 | -178.6 | 178.6 | 180 | 0 | 0 | 111.6 | A136 F137 | A136-E140 WeakPolarHBondContact O-CB 3.37Å; A136-E140 PolarHBondContact O-N 3.28Å; F137-E140 PolarHBondContact O-N 3.1Å |
| 141 | H | 97 | Very high | 98.2 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 18% | 0.181 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -98.9 | 4.5 | -177.4 | -65.3 | 88.9 | 0 | 0 | 0 | 114.1 | L101 R105 F137 A138 R139 L143 | L101-H141 HydrophobicContact CD2-CB 3.68Å; L101-H141 WeakPolarHBondContact CD2-CD2 3.5Å; R105-H141 PolarHBondContact NH2-O 3.42Å; F137-H141 AromaticContact CD1-ND1 3.9Å; F137-H141 AromaticContact CD2-CE1 3.96Å; F137-H141 AromaticContact CD2-ND1 3.97Å; F137-H141 AromaticContact CE1-ND1 3.82Å; F137-H141 AromaticContact CE2-CE1 3.64Å; F137-H141 AromaticContact CE2-ND1 3.88Å; F137-H141 AromaticContact CG-ND1 3.99Å; F137-H141 AromaticContact CZ-CE1 3.83Å; F137-H141 AromaticContact CZ-ND1 3.8Å; F137-H141 WeakPolarHBondContact O-CB 3.41Å; F137-H141 PolarHBondContact O-N 3.39Å; F137-H141 VanDerWaalsContact O-N 3.09Å; F137-H141 PolarHBondContact O-ND1 3.37Å; A138-H141 CarbonylContact O-C 3.53Å; A138-H141 PolarHBondContact O-N 3.35Å; R139-H141 PolarHBondContact O-N 2.61Å; H141-L143 HydrophobicContact CB-CD1 3.99Å; H141-L143 HydrophobicContact CB-CD2 4.09Å; H141-L143 HydrophobicContact CB-CG 3.76Å; H141-L143 WeakPolarHBondContact O-CD2 3.28Å; H141-L143 PolarHBondContact O-N 3.11Å |
| 142 | G | 96.3 | Very high | 98.1 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 72% | 0.722 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 41 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A138 R139 | A138-G142 PolarHBondContact O-N 3.49Å; R139-G142 PolarHBondContact O-N 2.92Å |
| 143 | L | 97.9 | Very high | 98.1 | Very high | 20 Ų | 20 | 49.9 Ų | 49.9 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | trans | -106.1 | 156.5 | 177.5 | -38.2 | 177.5 | 0 | 0 | 0 | 109.9 | L101 I114 L116 F137 A138 H141 | L101-L143 HydrophobicContact CD1-CD1 4.35Å; L101-L143 HydrophobicContact CD1-CD2 3.93Å; L101-L143 HydrophobicContact CD2-CD1 4.26Å; I114-L143 HydrophobicContact CB-CD2 3.83Å; I114-L143 HydrophobicContact CD1-CD2 4.37Å; I114-L143 HydrophobicContact CG2-CD1 4.45Å; I114-L143 HydrophobicContact CG2-CD2 4Å; L116-L143 HydrophobicContact CB-CD1 4.28Å; F137-L143 HydrophobicContact CD1-CD1 4.2Å; F137-L143 HydrophobicContact CE1-CD1 3.92Å; A138-L143 HydrophobicContact CB-CB 4.09Å; A138-L143 PolarHBondContact O-N 2.94Å; H141-L143 HydrophobicContact CB-CD1 3.99Å; H141-L143 HydrophobicContact CB-CD2 4.09Å; H141-L143 HydrophobicContact CB-CG 3.76Å; H141-L143 WeakPolarHBondContact O-CD2 3.28Å; H141-L143 PolarHBondContact O-N 3.11Å | ||
| 144 | I | 97.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 149.4 | 165.5 | -49 | 170.2 | 0 | 0 | 0 | 107.8 | V113 I114 M115 L116 E166 | V113-I144 HydrophobicContact CG1-CD1 4.09Å; I114-I144 PolarHBondContact O-N 2.89Å; I114-I144 VanDerWaalsContact O-N 3.1Å; M115-I144 CarbonylContact C-O 3.56Å; M115-I144 HydrophobicContact CE-CB 3.83Å; M115-I144 HydrophobicContact CE-CD1 4.32Å; M115-I144 HydrophobicContact CE-CG2 3.43Å; M115-I144 VanDerWaalsContact CE-CG2 3.43Å; M115-I144 HydrophobicContact SD-CB 3.79Å; M115-I144 HydrophobicContact SD-CG2 3.63Å; L116-I144 PolarHBondContact N-O 2.91Å; I144-E166 HydrophobicContact CD1-CB 3.87Å; I144-E166 HydrophobicContact CD1-CG 3.94Å |
| 145 | F | 98.6 | Very high | 98.1 | Very high | 37 Ų | 37 | 52.2 Ų | 52.2 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 140.8 | 178.6 | 177.1 | -110.3 | 0 | 0 | 0 | 112.9 | Y86 L116 K131 E135 A138 E147 | Y86-F145 HydrophobicContact CE1-CE2 4.19Å; L116-F145 HydrophobicContact CB-CD2 4.09Å; L116-F145 HydrophobicContact CD2-CD2 3.72Å; L116-F145 HydrophobicContact CD2-CE2 4.18Å; L116-F145 HydrophobicContact CG-CD2 3.81Å; L116-F145 HydrophobicContact CG-CE2 4.29Å; L116-F145 WeakPolarHBondContact O-CA 3.38Å; K131-F145 HydrophobicContact CG-CE1 3.87Å; K131-F145 HydrophobicContact CG-CZ 4.35Å; E135-F145 HydrophobicContact CB-CD1 4.32Å; E135-F145 HydrophobicContact CG-CD1 3.4Å; E135-F145 VanDerWaalsContact CG-CD1 3.4Å; E135-F145 HydrophobicContact CG-CE1 3.57Å; E135-F145 HydrophobicContact CG-CG 4.42Å; A138-F145 HydrophobicContact CB-CB 3.65Å; A138-F145 HydrophobicContact CB-CG 4.43Å; F145-E147 HydrophobicContact CE1-CG 4.13Å; F145-E147 HydrophobicContact CZ-CG 3.66Å |
| 146 | M | 98.4 | Very high | 98.1 | Very high | 32 Ų | 32 | 49.3 Ų | 49.3 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 144.1 | 171.6 | -171.2 | 164 | -79.8 | 0 | 0 | 110.9 | M115 L116 I117 G118 T148 N155 E158 A159 | M115-M146 HydrophobicContact SD-CB 4.04Å; L116-M146 PolarHBondContact O-N 3.07Å; I117-M146 VanDerWaalsContact CA-O 3.3Å; I117-M146 WeakPolarHBondContact CA-O 3.47Å; G118-M146 PolarHBondContact N-O 3.41Å; M146-T148 HydrophobicContact CG-CG2 4.26Å; M146-N155 HydrophobicContact CG-CB 3.81Å; M146-N155 HydrophobicContact SD-CB 3.63Å; M146-E158 HydrophobicContact CE-CB 3.92Å; M146-E158 HydrophobicContact SD-CB 3.79Å; M146-A159 HydrophobicContact SD-CB 4.04Å |
| 147 | E | 98.8 | Very high | 98.1 | Very high | 20 Ų | 20 | 49 Ų | 49 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 138 | 164 | -67.1 | -164.6 | 159.8 | 0 | 0 | 110.2 | G118 R127 K131 F145 N155 | G118-E147 CarbonylContact O-C 3.57Å; G118-E147 WeakPolarHBondContact O-CA 3.3Å; R127-E147 IonicContact CZ-OE1 3.85Å; R127-E147 IonicContact CZ-OE2 3.3Å; R127-E147 IonicContact NH1-OE1 2.73Å; R127-E147 PolarHBondContact NH1-OE1 2.89Å; R127-E147 IonicContact NH1-OE2 2.99Å; R127-E147 IonicContact NH2-OE1 3.59Å; R127-E147 PolarHBondContact NH2-OE1 2.95Å; R127-E147 IonicContact NH2-OE2 2.76Å; R127-E147 PolarHBondContact NH2-OE2 2.89Å; K131-E147 HydrophobicContact CG-CG 4.3Å; F145-E147 HydrophobicContact CE1-CG 4.13Å; F145-E147 HydrophobicContact CZ-CG 3.66Å; E147-N155 VanDerWaalsContact O-CB 3.23Å; E147-N155 WeakPolarHBondContact O-CB 3.45Å; E147-N155 PolarHBondContact O-ND2 2.86Å |
| 148 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 162.5 | -175.7 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | I117 G118 N119 K120 S121 M146 S154 N155 A159 | I117-T148 HydrophobicContact CG2-CG2 3.67Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.1Å; G118-T148 PolarHBondContact O-N 2.88Å; N119-T148 CarbonylContact C-O 3.58Å; N119-T148 WeakPolarHBondContact CA-O 3.28Å; N119-T148 PolarHBondContact OD1-O 3.46Å; N119-T148 PolarHBondContact OD1-OG1 2.84Å; K120-T148 PolarHBondContact N-O 3.34Å; S121-T148 PolarHBondContact N-O 3.11Å; S121-T148 PolarHBondContact OG-O 3.49Å; M146-T148 HydrophobicContact CG-CG2 4.26Å; T148-S154 WeakPolarHBondContact CA-O 3.48Å; T148-N155 HydrophobicContact CG2-CB 4.01Å; T148-A159 HydrophobicContact CG2-CB 4.13Å |
| 149 | S | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -134.9 | 106.9 | 164.4 | 168.2 | 0 | 0 | 0 | 0 | 109.1 | S121 D122 K151 T152 A153 S154 | S121-S149 WeakPolarHBondContact OG-CB 3.47Å; S121-S149 PolarHBondContact OG-N 3.18Å; D122-S149 WeakPolarHBondContact CB-OG 3.22Å; D122-S149 VanDerWaalsContact CG-OG 3.27Å; D122-S149 WeakPolarHBondContact OD1-CB 3.27Å; D122-S149 PolarHBondContact OD1-OG 3.28Å; S149-K151 PolarHBondContact O-N 3.01Å; S149-K151 PolarHBondContact OG-N 2.89Å; S149-T152 WeakPolarHBondContact CB-OG1 3.22Å; S149-T152 PolarHBondContact O-N 3.27Å; S149-T152 PolarHBondContact OG-N 3.4Å; S149-T152 PolarHBondContact OG-OG1 3.23Å; S149-A153 CarbonylContact O-C 3.58Å; S149-A153 VanDerWaalsContact O-CA 3.3Å; S149-A153 WeakPolarHBondContact O-CA 3.33Å; S149-A153 PolarHBondContact O-N 2.98Å; S149-S154 PolarHBondContact N-O 2.96Å; S149-S154 PolarHBondContact O-N 3.32Å | ||
| 150 | A | 97.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | C21 L22 Q25 F31 N119 | C21-A150 HydrophobicContact CB-CB 3.67Å; L22-A150 HydrophobicContact CD2-CB 4Å; L22-A150 HydrophobicContact CG-CB 4.25Å; Q25-A150 WeakPolarHBondContact CG-O 3.36Å; Q25-A150 PolarHBondContact NE2-O 3.19Å; F31-A150 HydrophobicContact CD2-CB 4.22Å; F31-A150 WeakPolarHBondContact CD2-O 3.44Å; F31-A150 HydrophobicContact CE2-CB 4.3Å; N119-A150 PolarHBondContact OD1-N 3.38Å |
| 151 | K | 97.4 | Very high | 98.1 | Very high | 118 Ų | 118 | 37.7 Ų | 37.7 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -43.8 | -179.9 | -172.8 | -171.6 | -176.6 | -177.4 | 0 | 113 | F31 D122 S149 | F31-K151 HydrophobicContact CD1-CB 4.44Å; F31-K151 HydrophobicContact CD1-CG 4.11Å; F31-K151 HydrophobicContact CD2-CB 4.21Å; F31-K151 HydrophobicContact CE1-CB 4.22Å; F31-K151 HydrophobicContact CE1-CG 3.91Å; F31-K151 HydrophobicContact CE2-CB 3.98Å; F31-K151 HydrophobicContact CG-CB 4.43Å; F31-K151 HydrophobicContact CZ-CB 3.99Å; F31-K151 HydrophobicContact CZ-CG 4.15Å; D122-K151 WeakPolarHBondContact OD2-CD 3.34Å; D122-K151 IonicContact OD2-NZ 2.67Å; S149-K151 PolarHBondContact O-N 3.01Å; S149-K151 PolarHBondContact OG-N 2.89Å |
| 152 | T | 97.6 | Very high | 98.1 | Very high | 87 Ų | 87 | 38.5 Ų | 38.5 | 53% | 0.534 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -1.6 | -176.2 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | D122 S149 S154 | D122-T152 HydrophobicContact CB-CG2 3.94Å; S149-T152 WeakPolarHBondContact CB-OG1 3.22Å; S149-T152 PolarHBondContact O-N 3.27Å; S149-T152 PolarHBondContact OG-N 3.4Å; S149-T152 PolarHBondContact OG-OG1 3.23Å; T152-S154 PolarHBondContact O-N 3.48Å; T152-S154 WeakPolarHBondContact OG1-CB 3.47Å; T152-S154 PolarHBondContact OG1-N 2.56Å |
| 153 | A | 98.1 | Very high | 98.2 | Very high | 40 Ų | 40 | 35.2 Ų | 35.2 | 33% | 0.331 | 19% | 0.188 | S | C | . | . | trans | 64.4 | 3.9 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q25 S149 N155 V156 | Q25-A153 HydrophobicContact CG-CB 4.01Å; S149-A153 CarbonylContact O-C 3.58Å; S149-A153 VanDerWaalsContact O-CA 3.3Å; S149-A153 WeakPolarHBondContact O-CA 3.33Å; S149-A153 PolarHBondContact O-N 2.98Å; A153-N155 PolarHBondContact O-N 3.33Å; A153-V156 PolarHBondContact O-N 3.38Å | ||
| 154 | S | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 34.2 Ų | 34.2 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 123.8 | 178.7 | -174.7 | 0 | 0 | 0 | 0 | 111 | T148 S149 T152 V156 | T148-S154 WeakPolarHBondContact CA-O 3.48Å; S149-S154 PolarHBondContact N-O 2.96Å; S149-S154 PolarHBondContact O-N 3.32Å; T152-S154 PolarHBondContact O-N 3.48Å; T152-S154 WeakPolarHBondContact OG1-CB 3.47Å; T152-S154 PolarHBondContact OG1-N 2.56Å; S154-V156 PolarHBondContact O-N 2.86Å |
| 155 | N | 98.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 36 Ų | 36 | 32% | 0.321 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 8 | 177.5 | -70.1 | -21.9 | 0 | 0 | 0 | 115.9 | M146 E147 T148 A153 E158 A159 | M146-N155 HydrophobicContact CG-CB 3.81Å; M146-N155 HydrophobicContact SD-CB 3.63Å; E147-N155 VanDerWaalsContact O-CB 3.23Å; E147-N155 WeakPolarHBondContact O-CB 3.45Å; E147-N155 PolarHBondContact O-ND2 2.86Å; T148-N155 HydrophobicContact CG2-CB 4.01Å; A153-N155 PolarHBondContact O-N 3.33Å; N155-E158 WeakPolarHBondContact CA-OE2 3.4Å; N155-A159 WeakPolarHBondContact O-CB 3.07Å; N155-A159 PolarHBondContact O-N 2.77Å |
| 156 | V | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.1 | -45.3 | -177.7 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | L22 Q25 F26 A153 S154 E158 F160 | L22-V156 HydrophobicContact CD2-CG1 4.38Å; L22-V156 HydrophobicContact CD2-CG2 3.85Å; Q25-V156 HydrophobicContact CB-CG1 4.1Å; Q25-V156 HydrophobicContact CG-CB 4.24Å; Q25-V156 HydrophobicContact CG-CG1 4Å; Q25-V156 HydrophobicContact CG-CG2 4.04Å; F26-V156 HydrophobicContact CB-CG1 4.05Å; A153-V156 PolarHBondContact O-N 3.38Å; S154-V156 PolarHBondContact O-N 2.86Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 2.84Å; V156-F160 HydrophobicContact CG1-CE2 4.34Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.46Å |
| 157 | E | 97.7 | Very high | 98 | Very high | 40 Ų | 40 | 35.8 Ų | 35.8 | 19% | 0.187 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 179.1 | -167.5 | 78 | 180 | 0 | 0 | 111 | K29 R46 A159 F160 I161 | K29-E157 IonicContact NZ-OE2 2.79Å; K29-E157 PolarHBondContact NZ-OE2 3.03Å; R46-E157 IonicContact CZ-OE1 3.62Å; R46-E157 VanDerWaalsContact CZ-OE1 3.24Å; R46-E157 IonicContact CZ-OE2 3.6Å; R46-E157 VanDerWaalsContact NH1-CD 3.27Å; R46-E157 IonicContact NH1-OE1 3.43Å; R46-E157 PolarHBondContact NH1-OE1 2.75Å; R46-E157 IonicContact NH1-OE2 3.63Å; R46-E157 PolarHBondContact NH1-OE2 2.67Å; R46-E157 IonicContact NH2-OE1 3.49Å; R46-E157 PolarHBondContact NH2-OE1 2.73Å; R46-E157 IonicContact NH2-OE2 2.71Å; R46-E157 PolarHBondContact NH2-OE2 3.11Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.25Å; E157-F160 PolarHBondContact O-N 3.04Å; E157-I161 HydrophobicContact CG-CD1 3.61Å; E157-I161 HydrophobicContact CG-CG1 4.32Å; E157-I161 WeakPolarHBondContact O-CG1 3.46Å; E157-I161 PolarHBondContact O-N 3.26Å |
| 158 | E | 98.3 | Very high | 97.9 | Very high | 84 Ų | 84 | 35.4 Ų | 35.4 | 39% | 0.393 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.7 | -40.7 | -176.4 | -65.3 | 77.9 | -176.1 | 0 | 0 | 111.2 | M146 N155 V156 F160 I161 N162 | M146-E158 HydrophobicContact CE-CB 3.92Å; M146-E158 HydrophobicContact SD-CB 3.79Å; N155-E158 WeakPolarHBondContact CA-OE2 3.4Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 2.84Å; E158-F160 PolarHBondContact O-N 3.31Å; E158-I161 PolarHBondContact O-N 3.22Å; E158-N162 WeakPolarHBondContact O-CB 3.09Å; E158-N162 PolarHBondContact O-N 3.11Å |
| 159 | A | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I117 M146 T148 N155 E157 T163 | I117-A159 HydrophobicContact CD1-CB 3.88Å; M146-A159 HydrophobicContact SD-CB 4.04Å; T148-A159 HydrophobicContact CG2-CB 4.13Å; N155-A159 WeakPolarHBondContact O-CB 3.07Å; N155-A159 PolarHBondContact O-N 2.77Å; E157-A159 VanDerWaalsContact C-N 3.34Å; E157-A159 PolarHBondContact O-N 3.25Å; A159-T163 WeakPolarHBondContact O-CB 3.19Å; A159-T163 PolarHBondContact O-N 3.16Å; A159-T163 PolarHBondContact O-OG1 3.28Å |
| 160 | F | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.2 | -42.3 | 179.4 | -73.7 | -96.4 | 0 | 0 | 0 | 112.2 | Y9 I11 F26 L57 I59 L83 V156 E157 E158 A164 | Y9-F160 HydrophobicContact CD2-CD1 4.17Å; Y9-F160 HydrophobicContact CE2-CD1 4.33Å; Y9-F160 PolarHBondContact OH-O 3.3Å; I11-F160 HydrophobicContact CD1-CE1 4.3Å; I11-F160 HydrophobicContact CD1-CZ 4.02Å; F26-F160 HydrophobicContact CB-CD2 3.83Å; F26-F160 HydrophobicContact CB-CE2 3.58Å; F26-F160 HydrophobicContact CB-CG 4.41Å; F26-F160 HydrophobicContact CB-CZ 3.99Å; F26-F160 HydrophobicContact CD1-CB 4.41Å; F26-F160 AromaticContact CD1-CD1 3.79Å; F26-F160 HydrophobicContact CD1-CD1 3.79Å; F26-F160 HydrophobicContact CD1-CD2 4.13Å; F26-F160 HydrophobicContact CD1-CE1 4.02Å; F26-F160 HydrophobicContact CD1-CE2 4.34Å; F26-F160 AromaticContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CG 3.85Å; F26-F160 HydrophobicContact CD1-CZ 4.28Å; F26-F160 HydrophobicContact CD2-CB 3.82Å; F26-F160 AromaticContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CD2 3.63Å; F26-F160 HydrophobicContact CD2-CE2 4.3Å; F26-F160 AromaticContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CD2-CG 3.75Å; F26-F160 HydrophobicContact CE1-CB 4.1Å; F26-F160 AromaticContact CE1-CD1 3.9Å; F26-F160 HydrophobicContact CE1-CD1 3.9Å; F26-F160 AromaticContact CE1-CG 3.98Å; F26-F160 HydrophobicContact CE1-CG 3.98Å; F26-F160 HydrophobicContact CE2-CB 3.5Å; F26-F160 VanDerWaalsContact CE2-CB 3.5Å; F26-F160 HydrophobicContact CE2-CD2 4.23Å; F26-F160 AromaticContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CE2-CG 3.9Å; F26-F160 HydrophobicContact CG-CB 4.28Å; F26-F160 HydrophobicContact CG-CD1 4.11Å; F26-F160 AromaticContact CG-CD2 3.58Å; F26-F160 HydrophobicContact CG-CD2 3.58Å; F26-F160 HydrophobicContact CG-CE1 4.33Å; F26-F160 AromaticContact CG-CE2 3.83Å; F26-F160 HydrophobicContact CG-CE2 3.83Å; F26-F160 AromaticContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CG 3.73Å; F26-F160 HydrophobicContact CG-CZ 4.2Å; F26-F160 HydrophobicContact CZ-CB 3.65Å; F26-F160 HydrophobicContact CZ-CD1 4.34Å; F26-F160 HydrophobicContact CZ-CG 4.01Å; L57-F160 HydrophobicContact CD1-CB 4.36Å; I59-F160 HydrophobicContact CD1-CD1 3.78Å; I59-F160 HydrophobicContact CD1-CE1 3.58Å; I59-F160 HydrophobicContact CG1-CD1 4.43Å; I59-F160 HydrophobicContact CG1-CE1 4.17Å; I59-F160 HydrophobicContact CG2-CE1 4.18Å; L83-F160 HydrophobicContact CD1-CD1 3.82Å; L83-F160 HydrophobicContact CD1-CD2 4.16Å; L83-F160 HydrophobicContact CD1-CE1 3.4Å; L83-F160 HydrophobicContact CD1-CE2 3.81Å; L83-F160 HydrophobicContact CD1-CG 4.19Å; L83-F160 HydrophobicContact CD1-CZ 3.41Å; L83-F160 VanDerWaalsContact CD1-CZ 3.41Å; V156-F160 HydrophobicContact CG1-CE2 4.34Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.46Å; E157-F160 PolarHBondContact O-N 3.04Å; E158-F160 PolarHBondContact O-N 3.31Å; F160-A164 PolarHBondContact O-N 3.03Å |
| 161 | I | 97.9 | Very high | 97.3 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 18% | 0.179 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.4 | -44.1 | -179.1 | -68.4 | -178.2 | 0 | 0 | 0 | 111.4 | I48 E157 E158 T163 A164 K165 | I48-I161 HydrophobicContact CG2-CG1 4.49Å; E157-I161 HydrophobicContact CG-CD1 3.61Å; E157-I161 HydrophobicContact CG-CG1 4.32Å; E157-I161 WeakPolarHBondContact O-CG1 3.46Å; E157-I161 PolarHBondContact O-N 3.26Å; E158-I161 PolarHBondContact O-N 3.22Å; I161-T163 VanDerWaalsContact C-N 3.32Å; I161-T163 PolarHBondContact O-N 2.88Å; I161-A164 WeakPolarHBondContact O-CA 2.84Å; I161-A164 WeakPolarHBondContact O-CB 3.49Å; I161-A164 PolarHBondContact O-N 2.83Å; I161-K165 HydrophobicContact CG2-CD 4.2Å; I161-K165 HydrophobicContact CG2-CG 4.35Å; I161-K165 WeakPolarHBondContact O-CG 3.16Å; I161-K165 PolarHBondContact O-N 3.29Å |
| 162 | N | 98 | Very high | 97.1 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.8 | -37.9 | -179.4 | -69.9 | -6.1 | 0 | 0 | 0 | 111.5 | M115 E158 A164 K165 E166 | M115-N162 HydrophobicContact CE-CB 3.98Å; E158-N162 WeakPolarHBondContact O-CB 3.09Å; E158-N162 PolarHBondContact O-N 3.11Å; N162-A164 PolarHBondContact O-N 3.46Å; N162-K165 PolarHBondContact O-N 3.42Å; N162-E166 PolarHBondContact O-N 3.14Å; N162-E166 VanDerWaalsContact O-N 3.08Å |
| 163 | T | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.2 | -38.7 | 170.5 | -53.8 | 0 | 0 | 0 | 0 | 111 | Y9 L83 V113 M115 A159 I161 I167 | Y9-T163 HydrophobicContact CE1-CG2 4.35Å; Y9-T163 HydrophobicContact CE2-CG2 3.74Å; Y9-T163 WeakPolarHBondContact OH-CB 3.31Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.4Å; L83-T163 HydrophobicContact CD2-CG2 4.36Å; V113-T163 HydrophobicContact CG1-CG2 3.99Å; M115-T163 WeakPolarHBondContact CB-OG1 3.23Å; A159-T163 WeakPolarHBondContact O-CB 3.19Å; A159-T163 PolarHBondContact O-N 3.16Å; A159-T163 PolarHBondContact O-OG1 3.28Å; I161-T163 VanDerWaalsContact C-N 3.32Å; I161-T163 PolarHBondContact O-N 2.88Å; T163-I167 HydrophobicContact CG2-CD1 4.27Å; T163-I167 WeakPolarHBondContact O-CG1 3.25Å; T163-I167 PolarHBondContact O-N 3.11Å |
| 164 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75 | -34.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F7 Y9 I48 I50 L57 F160 I161 N162 I167 Y168 | F7-A164 HydrophobicContact CD2-CB 4.29Å; F7-A164 HydrophobicContact CE2-CB 4.41Å; Y9-A164 WeakPolarHBondContact OH-CA 3.27Å; Y9-A164 WeakPolarHBondContact OH-CB 3.22Å; Y9-A164 PolarHBondContact OH-N 2.94Å; I48-A164 HydrophobicContact CD1-CB 3.48Å; I48-A164 VanDerWaalsContact CD1-CB 3.48Å; I50-A164 HydrophobicContact CD1-CB 3.42Å; I50-A164 VanDerWaalsContact CD1-CB 3.42Å; L57-A164 HydrophobicContact CD2-CB 4.18Å; F160-A164 PolarHBondContact O-N 3.03Å; I161-A164 WeakPolarHBondContact O-CA 2.84Å; I161-A164 WeakPolarHBondContact O-CB 3.49Å; I161-A164 PolarHBondContact O-N 2.83Å; N162-A164 PolarHBondContact O-N 3.46Å; A164-I167 PolarHBondContact O-N 3Å; A164-Y168 VanDerWaalsContact O-CB 3.26Å; A164-Y168 WeakPolarHBondContact O-CB 3.45Å; A164-Y168 PolarHBondContact O-N 3.01Å |
| 165 | K | 97.7 | Very high | 96.1 | Very high | 88 Ų | 88 | 46 Ų | 46 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 173.9 | -73.4 | 176.8 | 175.6 | 177.3 | 0 | 110.9 | I50 I161 N162 I167 Y168 E169 | I50-K165 HydrophobicContact CD1-CB 4.47Å; I50-K165 HydrophobicContact CD1-CG 3.76Å; I50-K165 HydrophobicContact CG1-CG 4.13Å; I50-K165 HydrophobicContact CG2-CG 4.17Å; I161-K165 HydrophobicContact CG2-CD 4.2Å; I161-K165 HydrophobicContact CG2-CG 4.35Å; I161-K165 WeakPolarHBondContact O-CG 3.16Å; I161-K165 PolarHBondContact O-N 3.29Å; N162-K165 PolarHBondContact O-N 3.42Å; K165-I167 PolarHBondContact O-N 3.45Å; K165-Y168 CarbonylContact O-C 3.56Å; K165-Y168 WeakPolarHBondContact O-CA 3.32Å; K165-Y168 WeakPolarHBondContact O-CB 3.37Å; K165-Y168 PolarHBondContact O-N 3.02Å; K165-Y168 VanDerWaalsContact O-N 3.07Å; K165-E169 WeakPolarHBondContact O-CG 3.22Å; K165-E169 PolarHBondContact O-N 2.91Å |
| 166 | E | 97.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.7 | -178.3 | 72.8 | -159.7 | 0 | 0 | 112.2 | V113 I144 N162 Y168 E169 K170 | V113-E166 HydrophobicContact CB-CG 4.25Å; V113-E166 HydrophobicContact CG1-CB 3.9Å; V113-E166 HydrophobicContact CG1-CG 3.6Å; V113-E166 HydrophobicContact CG2-CB 4.24Å; V113-E166 HydrophobicContact CG2-CG 3.57Å; I144-E166 HydrophobicContact CD1-CB 3.87Å; I144-E166 HydrophobicContact CD1-CG 3.94Å; N162-E166 PolarHBondContact O-N 3.14Å; N162-E166 VanDerWaalsContact O-N 3.08Å; E166-Y168 VanDerWaalsContact C-N 3.3Å; E166-Y168 PolarHBondContact O-N 3.37Å; E166-E169 PolarHBondContact O-N 2.67Å; E166-K170 WeakPolarHBondContact O-CG 3.31Å; E166-K170 PolarHBondContact O-N 2.77Å; E166-K170 WeakPolarHBondContact OE1-CE 3.2Å |
| 167 | I | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 175.4 | -66.4 | 164.8 | 0 | 0 | 0 | 110.4 | F7 Y9 A80 V113 T163 A164 K165 K170 I171 F176 I185 | F7-I167 HydrophobicContact CD1-CG2 4.08Å; F7-I167 HydrophobicContact CD2-CB 4.2Å; F7-I167 HydrophobicContact CD2-CD1 4.29Å; F7-I167 HydrophobicContact CD2-CG2 3.91Å; F7-I167 HydrophobicContact CE1-CG2 3.88Å; F7-I167 HydrophobicContact CE2-CB 3.95Å; F7-I167 HydrophobicContact CE2-CG2 3.68Å; F7-I167 HydrophobicContact CG-CG2 4.12Å; F7-I167 HydrophobicContact CZ-CB 4.37Å; F7-I167 HydrophobicContact CZ-CG2 3.68Å; Y9-I167 HydrophobicContact CD1-CD1 4.4Å; Y9-I167 HydrophobicContact CE1-CD1 3.44Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.44Å; A80-I167 HydrophobicContact CB-CD1 4.05Å; A80-I167 HydrophobicContact CB-CG2 4.3Å; A80-I167 WeakPolarHBondContact O-CD1 3.35Å; V113-I167 HydrophobicContact CB-CD1 4.35Å; V113-I167 HydrophobicContact CB-CG1 3.71Å; V113-I167 HydrophobicContact CG1-CG1 4.47Å; V113-I167 HydrophobicContact CG2-CB 4.47Å; V113-I167 HydrophobicContact CG2-CG1 3.52Å; T163-I167 HydrophobicContact CG2-CD1 4.27Å; T163-I167 WeakPolarHBondContact O-CG1 3.25Å; T163-I167 PolarHBondContact O-N 3.11Å; A164-I167 PolarHBondContact O-N 3Å; K165-I167 PolarHBondContact O-N 3.45Å; I167-K170 PolarHBondContact O-N 3.36Å; I167-I171 HydrophobicContact CG2-CD1 4.23Å; I167-I171 WeakPolarHBondContact O-CG1 3.4Å; I167-I171 PolarHBondContact O-N 2.76Å; I167-F176 HydrophobicContact CG2-CE2 4.13Å; I167-I185 HydrophobicContact CG2-CD1 4.07Å; I167-I185 HydrophobicContact CG2-CG1 4.29Å |
| 168 | Y | 96 | Very high | 94 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | -179.7 | 179.4 | -104.1 | 0 | 0 | 0 | 112.5 | Y5 I50 D51 K53 I55 A164 K165 E166 I171 Q172 | Y5-Y168 HydrophobicContact CD2-CD2 4.38Å; Y5-Y168 HydrophobicContact CD2-CE2 4.33Å; Y5-Y168 HydrophobicContact CE2-CD2 4.28Å; Y5-Y168 AromaticContact CE2-CE2 3.88Å; Y5-Y168 HydrophobicContact CE2-CE2 3.88Å; I50-Y168 HydrophobicContact CG2-CD1 3.72Å; I50-Y168 HydrophobicContact CG2-CE1 4.19Å; I50-Y168 HydrophobicContact CG2-CG 4.11Å; D51-Y168 HydrophobicContact CB-CE1 4.26Å; D51-Y168 WeakPolarHBondContact OD2-CE1 3.43Å; K53-Y168 HydrophobicContact CD-CE2 3.87Å; K53-Y168 WeakPolarHBondContact CD-OH 3.26Å; K53-Y168 VanDerWaalsContact CE-OH 3.31Å; K53-Y168 WeakPolarHBondContact CE-OH 3.41Å; K53-Y168 PolarHBondContact NZ-OH 3.06Å; I55-Y168 HydrophobicContact CD1-CD2 4.12Å; I55-Y168 HydrophobicContact CD1-CG 4.49Å; A164-Y168 VanDerWaalsContact O-CB 3.26Å; A164-Y168 WeakPolarHBondContact O-CB 3.45Å; A164-Y168 PolarHBondContact O-N 3.01Å; K165-Y168 CarbonylContact O-C 3.56Å; K165-Y168 WeakPolarHBondContact O-CA 3.32Å; K165-Y168 WeakPolarHBondContact O-CB 3.37Å; K165-Y168 PolarHBondContact O-N 3.02Å; K165-Y168 VanDerWaalsContact O-N 3.07Å; E166-Y168 VanDerWaalsContact C-N 3.3Å; E166-Y168 PolarHBondContact O-N 3.37Å; Y168-I171 WeakPolarHBondContact O-CB 3.26Å; Y168-I171 PolarHBondContact O-N 2.8Å; Y168-Q172 HydrophobicContact CD1-CG 4.45Å; Y168-Q172 HydrophobicContact CE1-CG 4.07Å; Y168-Q172 WeakPolarHBondContact O-CG 3.33Å; Y168-Q172 PolarHBondContact O-N 2.83Å |
| 169 | E | 95.5 | Very high | 93.3 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 173.2 | -74.5 | 171.5 | -167.3 | 0 | 0 | 110.7 | K165 E166 I171 Q172 E173 | K165-E169 WeakPolarHBondContact O-CG 3.22Å; K165-E169 PolarHBondContact O-N 2.91Å; E166-E169 PolarHBondContact O-N 2.67Å; E169-I171 PolarHBondContact O-N 3.43Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.37Å; E169-Q172 PolarHBondContact O-N 3.28Å; E169-E173 WeakPolarHBondContact O-CG 3.22Å; E169-E173 PolarHBondContact O-N 2.98Å |
| 170 | K | 94.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 53.2 Ų | 53.2 | 19% | 0.191 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.5 | -30.8 | 174.1 | -74.4 | -175.9 | -179.4 | -173.3 | 0 | 113.8 | N111 V113 E166 I167 G174 V175 F176 | N111-K170 PolarHBondContact O-NZ 3Å; V113-K170 HydrophobicContact CG2-CD 3.88Å; E166-K170 WeakPolarHBondContact O-CG 3.31Å; E166-K170 PolarHBondContact O-N 2.77Å; E166-K170 WeakPolarHBondContact OE1-CE 3.2Å; I167-K170 PolarHBondContact O-N 3.36Å; K170-G174 PolarHBondContact O-N 3.15Å; K170-V175 HydrophobicContact CB-CB 4.13Å; K170-V175 WeakPolarHBondContact O-CB 3.22Å; K170-V175 PolarHBondContact O-N 2.91Å; K170-F176 HydrophobicContact CB-CD2 3.59Å; K170-F176 HydrophobicContact CB-CE2 3.67Å; K170-F176 HydrophobicContact CD-CE2 3.9Å; K170-F176 HydrophobicContact CG-CE2 4.44Å |
| 171 | I | 92.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 171.4 | -67.8 | 164.7 | 0 | 0 | 0 | 110.6 | Y5 F7 I167 Y168 E169 E173 G174 F176 I178 I185 | Y5-I171 HydrophobicContact CD1-CD1 4.46Å; Y5-I171 HydrophobicContact CE1-CG2 4.39Å; F7-I171 HydrophobicContact CE1-CD1 3.5Å; F7-I171 HydrophobicContact CZ-CD1 3.63Å; I167-I171 HydrophobicContact CG2-CD1 4.23Å; I167-I171 WeakPolarHBondContact O-CG1 3.4Å; I167-I171 PolarHBondContact O-N 2.76Å; Y168-I171 WeakPolarHBondContact O-CB 3.26Å; Y168-I171 PolarHBondContact O-N 2.8Å; E169-I171 PolarHBondContact O-N 3.43Å; I171-E173 VanDerWaalsContact C-N 3.26Å; I171-E173 PolarHBondContact O-N 2.78Å; I171-G174 PolarHBondContact O-N 3.23Å; I171-G174 VanDerWaalsContact O-N 3.12Å; I171-F176 HydrophobicContact CG1-CB 4.01Å; I171-F176 HydrophobicContact CG1-CD2 4.06Å; I171-F176 HydrophobicContact CG1-CG 4.43Å; I171-I178 HydrophobicContact CG1-CG2 4.31Å; I171-I178 HydrophobicContact CG2-CG2 3.74Å; I171-I185 HydrophobicContact CD1-CD1 3.75Å; I171-I185 HydrophobicContact CD1-CG1 4.26Å; I171-I185 HydrophobicContact CD1-CG2 3.94Å; I171-I185 HydrophobicContact CG1-CD1 3.83Å |
| 172 | Q | 92.4 | Very high | 91 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -33 | 178.7 | -60.3 | -41 | -77.6 | 0 | 0 | 111.9 | Y168 E169 G174 | Y168-Q172 HydrophobicContact CD1-CG 4.45Å; Y168-Q172 HydrophobicContact CE1-CG 4.07Å; Y168-Q172 WeakPolarHBondContact O-CG 3.33Å; Y168-Q172 PolarHBondContact O-N 2.83Å; E169-Q172 WeakPolarHBondContact O-CA 3.4Å; E169-Q172 WeakPolarHBondContact O-CB 3.37Å; E169-Q172 PolarHBondContact O-N 3.28Å; Q172-G174 PolarHBondContact O-N 3.42Å |
| 173 | E | 93.4 | Very high | 90.5 | Very high | 141 Ų | 141 | 57.1 Ų | 57.1 | 66% | 0.659 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -6.5 | 175.5 | -66.7 | 176.7 | 171.8 | 0 | 0 | 113.7 | E169 I171 V175 | E169-E173 WeakPolarHBondContact O-CG 3.22Å; E169-E173 PolarHBondContact O-N 2.98Å; I171-E173 VanDerWaalsContact C-N 3.26Å; I171-E173 PolarHBondContact O-N 2.78Å; E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 HydrophobicContact CB-CG2 4.09Å; E173-V175 PolarHBondContact O-N 3.13Å |
| 174 | G | 90.7 | Very high | 90 | Very high | 59 Ų | 59 | 57.5 Ų | 57.5 | 61% | 0.608 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 13.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K170 I171 Q172 F176 | K170-G174 PolarHBondContact O-N 3.15Å; I171-G174 PolarHBondContact O-N 3.23Å; I171-G174 VanDerWaalsContact O-N 3.12Å; Q172-G174 PolarHBondContact O-N 3.42Å; G174-F176 VanDerWaalsContact C-N 3.32Å |
| 175 | V | 89.7 | Confident | 89.6 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | trans | -67.8 | -35.2 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | N111 K170 E173 | N111-V175 HydrophobicContact CB-CG1 4.24Å; N111-V175 PolarHBondContact ND2-O 3.43Å; K170-V175 HydrophobicContact CB-CB 4.13Å; K170-V175 WeakPolarHBondContact O-CB 3.22Å; K170-V175 PolarHBondContact O-N 2.91Å; E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 HydrophobicContact CB-CG2 4.09Å; E173-V175 PolarHBondContact O-N 3.13Å | ||
| 176 | F | 84.5 | Confident | 89.3 | Confident | 7 Ų | 7 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -95.8 | 120.6 | 173.4 | -75.6 | -69.1 | 0 | 0 | 0 | 111.4 | N111 I167 K170 I171 G174 I178 N183 I185 | N111-F176 HydrophobicContact CB-CD1 4.08Å; N111-F176 HydrophobicContact CB-CE1 3.53Å; N111-F176 HydrophobicContact CB-CZ 3.82Å; N111-F176 WeakPolarHBondContact O-CZ 3.26Å; I167-F176 HydrophobicContact CG2-CE2 4.13Å; K170-F176 HydrophobicContact CB-CD2 3.59Å; K170-F176 HydrophobicContact CB-CE2 3.67Å; K170-F176 HydrophobicContact CD-CE2 3.9Å; K170-F176 HydrophobicContact CG-CE2 4.44Å; I171-F176 HydrophobicContact CG1-CB 4.01Å; I171-F176 HydrophobicContact CG1-CD2 4.06Å; I171-F176 HydrophobicContact CG1-CG 4.43Å; G174-F176 VanDerWaalsContact C-N 3.32Å; F176-I178 PolarHBondContact O-N 3.3Å; F176-I178 VanDerWaalsContact O-N 3.14Å; F176-N183 HydrophobicContact CD1-CB 3.84Å; F176-N183 HydrophobicContact CE1-CB 4.31Å; F176-I185 HydrophobicContact CB-CD1 3.69Å; F176-I185 HydrophobicContact CD1-CD1 3.65Å; F176-I185 HydrophobicContact CD2-CD1 3.69Å; F176-I185 HydrophobicContact CE1-CD1 4.1Å; F176-I185 HydrophobicContact CE2-CD1 4.15Å; F176-I185 HydrophobicContact CG-CD1 3.4Å; F176-I185 VanDerWaalsContact CG-CD1 3.4Å; F176-I185 HydrophobicContact CZ-CD1 4.32Å |
| 177 | D | 83.7 | Confident | 88.9 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | trans | -71.5 | 104.3 | 161.3 | 179 | 8.6 | 0 | 0 | 0 | 109.3 | N179 N180 N183 | D177-N179 PolarHBondContact O-N 3.48Å; D177-N179 WeakPolarHBondContact OD1-CB 3.49Å; D177-N179 PolarHBondContact OD1-N 2.67Å; D177-N179 PolarHBondContact OD1-ND2 3.09Å; D177-N180 HydrophobicContact CB-CB 4.17Å; D177-N180 PolarHBondContact O-N 3.26Å; D177-N180 VanDerWaalsContact O-N 3.1Å; D177-N183 PolarHBondContact N-ND2 3.04Å; D177-N183 PolarHBondContact O-ND2 3.13Å | ||
| 178 | I | 83 | Confident | 88.3 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11.4 | -178.4 | 59.2 | 178 | 0 | 0 | 0 | 113.8 | I171 F176 I185 I187 | I171-I178 HydrophobicContact CG1-CG2 4.31Å; I171-I178 HydrophobicContact CG2-CG2 3.74Å; F176-I178 PolarHBondContact O-N 3.3Å; F176-I178 VanDerWaalsContact O-N 3.14Å; I178-I185 HydrophobicContact CG2-CG2 4.43Å; I178-I187 HydrophobicContact CB-CD1 4.09Å; I178-I187 HydrophobicContact CB-CG1 4.19Å; I178-I187 HydrophobicContact CD1-CD1 3.56Å; I178-I187 HydrophobicContact CD1-CG1 4.26Å; I178-I187 HydrophobicContact CG1-CD1 3.82Å; I178-I187 HydrophobicContact CG1-CG1 4.45Å |
| 179 | N | 82.3 | Confident | 87.4 | Confident | 128 Ų | 128 | 61.3 Ų | 61.3 | 68% | 0.684 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -13.2 | 175 | -54.3 | -66.4 | 0 | 0 | 0 | 112.4 | D177 E181 | D177-N179 PolarHBondContact O-N 3.48Å; D177-N179 WeakPolarHBondContact OD1-CB 3.49Å; D177-N179 PolarHBondContact OD1-N 2.67Å; D177-N179 PolarHBondContact OD1-ND2 3.09Å; N179-E181 PolarHBondContact O-N 3.15Å |
| 180 | N | 85.2 | Confident | 86 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | trans | -91.4 | 102.1 | 178.4 | -174.6 | -5.4 | 0 | 0 | 0 | 110.5 | D177 A182 N183 | D177-N180 HydrophobicContact CB-CB 4.17Å; D177-N180 PolarHBondContact O-N 3.26Å; D177-N180 VanDerWaalsContact O-N 3.1Å; N180-A182 PolarHBondContact O-N 3.49Å; N180-A182 WeakPolarHBondContact OD1-CB 3.27Å; N180-A182 PolarHBondContact OD1-N 3.25Å; N180-N183 VanDerWaalsContact O-CB 3.31Å; N180-N183 WeakPolarHBondContact O-CB 3.39Å; N180-N183 PolarHBondContact O-N 3.11Å | ||
| 181 | E | 79.5 | Confident | 84.4 | Confident | 131 Ų | 131 | 61.7 Ų | 61.7 | 61% | 0.612 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -58 | -20.9 | 179.2 | -65.2 | -157 | 135.5 | 0 | 0 | 113.8 | N179 N183 G184 K186 | N179-E181 PolarHBondContact O-N 3.15Å; E181-N183 PolarHBondContact O-N 2.82Å; E181-N183 VanDerWaalsContact O-N 3.11Å; E181-G184 PolarHBondContact O-N 3.04Å; E181-G184 VanDerWaalsContact O-N 3.15Å; E181-K186 IonicContact OE1-NZ 3.78Å; E181-K186 PolarHBondContact OE1-NZ 3.03Å; E181-K186 IonicContact OE2-NZ 2.71Å |
| 182 | A | 83.4 | Confident | 82.8 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 32% | 0.322 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -64.7 | -11.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G78 N180 | G78-A182 WeakPolarHBondContact CA-O 3.49Å; N180-A182 PolarHBondContact O-N 3.49Å; N180-A182 WeakPolarHBondContact OD1-CB 3.27Å; N180-A182 PolarHBondContact OD1-N 3.25Å |
| 183 | N | 87.3 | Confident | 81 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 3% | 0.027 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -84.6 | -8.2 | 177 | -65.8 | -14.4 | 0 | 0 | 0 | 113.4 | A80 N109 F176 D177 N180 E181 I185 | A80-N183 WeakPolarHBondContact CA-O 2.84Å; A80-N183 WeakPolarHBondContact CB-O 3.31Å; N109-N183 PolarHBondContact ND2-OD1 2.8Å; F176-N183 HydrophobicContact CD1-CB 3.84Å; F176-N183 HydrophobicContact CE1-CB 4.31Å; D177-N183 PolarHBondContact N-ND2 3.04Å; D177-N183 PolarHBondContact O-ND2 3.13Å; N180-N183 VanDerWaalsContact O-CB 3.31Å; N180-N183 WeakPolarHBondContact O-CB 3.39Å; N180-N183 PolarHBondContact O-N 3.11Å; E181-N183 PolarHBondContact O-N 2.82Å; E181-N183 VanDerWaalsContact O-N 3.11Å; N183-I185 HydrophobicContact CB-CD1 4.5Å; N183-I185 PolarHBondContact O-N 3.25Å |
| 184 | G | 86.8 | Confident | 79.2 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 8% | 0.082 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 73.2 | 14.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K8 G78 E181 | K8-G184 PolarHBondContact N-O 3.42Å; G78-G184 WeakPolarHBondContact O-CA 3.4Å; E181-G184 PolarHBondContact O-N 3.04Å; E181-G184 VanDerWaalsContact O-N 3.15Å |
| 185 | I | 90.2 | Very high | 77.3 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.1 | 177.3 | -62.9 | 156.5 | 0 | 0 | 0 | 107.5 | Y5 L6 F7 A80 I167 I171 F176 I178 N183 | Y5-I185 HydrophobicContact CD1-CG2 4.12Å; L6-I185 WeakPolarHBondContact O-CA 3.16Å; F7-I185 HydrophobicContact CD1-CB 4.42Å; F7-I185 HydrophobicContact CD1-CG1 3.88Å; F7-I185 HydrophobicContact CD1-CG2 4.16Å; F7-I185 HydrophobicContact CE1-CG1 4.05Å; F7-I185 HydrophobicContact CE1-CG2 3.93Å; A80-I185 HydrophobicContact CB-CD1 4.5Å; A80-I185 HydrophobicContact CB-CG1 3.87Å; I167-I185 HydrophobicContact CG2-CD1 4.07Å; I167-I185 HydrophobicContact CG2-CG1 4.29Å; I171-I185 HydrophobicContact CD1-CD1 3.75Å; I171-I185 HydrophobicContact CD1-CG1 4.26Å; I171-I185 HydrophobicContact CD1-CG2 3.94Å; I171-I185 HydrophobicContact CG1-CD1 3.83Å; F176-I185 HydrophobicContact CB-CD1 3.69Å; F176-I185 HydrophobicContact CD1-CD1 3.65Å; F176-I185 HydrophobicContact CD2-CD1 3.69Å; F176-I185 HydrophobicContact CE1-CD1 4.1Å; F176-I185 HydrophobicContact CE2-CD1 4.15Å; F176-I185 HydrophobicContact CG-CD1 3.4Å; F176-I185 VanDerWaalsContact CG-CD1 3.4Å; F176-I185 HydrophobicContact CZ-CD1 4.32Å; I178-I185 HydrophobicContact CG2-CG2 4.43Å; N183-I185 HydrophobicContact CB-CD1 4.5Å; N183-I185 PolarHBondContact O-N 3.25Å |
| 186 | K | 90.9 | Very high | 75.5 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.6 | 169.9 | -59.5 | -167.9 | -179.1 | -131.6 | 0 | 110.4 | Y5 L6 E181 G188 | Y5-K186 CarbonylContact C-O 3.52Å; Y5-K186 WeakPolarHBondContact CA-O 3.44Å; L6-K186 HydrophobicContact CB-CB 4.26Å; L6-K186 PolarHBondContact N-O 3.28Å; L6-K186 PolarHBondContact O-N 2.9Å; E181-K186 IonicContact OE1-NZ 3.78Å; E181-K186 PolarHBondContact OE1-NZ 3.03Å; E181-K186 IonicContact OE2-NZ 2.71Å; K186-G188 PolarHBondContact O-N 2.76Å |
| 187 | I | 89.1 | Confident | 73.8 | Confident | 52 Ų | 52 | 65.9 Ų | 65.9 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 125.6 | 173.2 | -55.8 | 175.4 | 0 | 0 | 0 | 108 | I178 H191 | I178-I187 HydrophobicContact CB-CD1 4.09Å; I178-I187 HydrophobicContact CB-CG1 4.19Å; I178-I187 HydrophobicContact CD1-CD1 3.56Å; I178-I187 HydrophobicContact CD1-CG1 4.26Å; I178-I187 HydrophobicContact CG1-CD1 3.82Å; I178-I187 HydrophobicContact CG1-CG1 4.45Å; I187-H191 HydrophobicContact CG2-CB 3.3Å |
| 188 | G | 84.5 | Confident | 72.2 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 2% | 0.021 | 40% | 0.4 | C | S | . | . | trans | -78.9 | 168.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y3 A4 K186 Q190 H191 | Y3-G188 VanDerWaalsContact CE2-CA 3.42Å; Y3-G188 CarbonylContact O-C 3.54Å; Y3-G188 VanDerWaalsContact O-CA 3.26Å; Y3-G188 WeakPolarHBondContact O-CA 3.49Å; A4-G188 PolarHBondContact O-N 3.03Å; K186-G188 PolarHBondContact O-N 2.76Å; G188-Q190 PolarHBondContact O-N 2.76Å; G188-H191 PolarHBondContact O-N 3.4Å; G188-H191 VanDerWaalsContact O-N 3.12Å | ||
| 189 | P | 77.1 | Confident | 70.7 | Confident | 91 Ų | 91 | 72.6 Ų | 72.6 | 59% | 0.591 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.9 | -24.3 | -172.9 | -23.3 | 32.7 | 0 | 0 | 0 | 114.7 | ||
| 190 | Q | 65.4 | Low | 69 | Low | 106 Ų | 106 | 69.5 Ų | 69.5 | 50% | 0.495 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.3 | -35 | 179.3 | -87.4 | 173.2 | -14.3 | 0 | 0 | 113.4 | A2 G188 | A2-Q190 VanDerWaalsContact CB-CD 3.48Å; A2-Q190 HydrophobicContact CB-CG 3.76Å; A2-Q190 VanDerWaalsContact CB-NE2 3.32Å; G188-Q190 PolarHBondContact O-N 2.76Å |
| 191 | H | 60.5 | Low | 67 | Low | 44 Ų | 44 | 73.4 Ų | 73.4 | 20% | 0.204 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -86.2 | -26.4 | -178.2 | -108.6 | -52.5 | 0 | 0 | 0 | 113 | Y5 I187 G188 A193 T194 N195 | Y5-H191 AromaticContact CE2-CD2 3.77Å; Y5-H191 AromaticContact CE2-NE2 3.69Å; Y5-H191 AromaticContact CZ-CD2 3.58Å; Y5-H191 AromaticContact CZ-NE2 3.52Å; Y5-H191 PolarHBondContact OH-NE2 2.79Å; I187-H191 HydrophobicContact CG2-CB 3.3Å; G188-H191 PolarHBondContact O-N 3.4Å; G188-H191 VanDerWaalsContact O-N 3.12Å; H191-A193 PolarHBondContact O-N 3.31Å; H191-T194 PolarHBondContact O-N 3.16Å; H191-T194 PolarHBondContact O-OG1 2.95Å; H191-N195 PolarHBondContact O-N 3Å |
| 192 | A | 58.5 | Low | 65.4 | Low | 59 Ų | 59 | 76.9 Ų | 76.9 | 49% | 0.488 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63 | -34.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A196 | A192-A196 WeakPolarHBondContact O-CB 3.33Å; A192-A196 PolarHBondContact O-N 2.95Å |
| 193 | A | 54.8 | Low | 63.2 | Low | 61 Ų | 61 | 79.2 Ų | 79.2 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.8 | -31.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H191 T197 | H191-A193 PolarHBondContact O-N 3.31Å; A193-T197 PolarHBondContact O-N 3.36Å; A193-T197 PolarHBondContact O-OG1 3.27Å |
| 194 | T | 55.9 | Low | 60.9 | Low | 72 Ų | 72 | 82.6 Ų | 82.6 | 44% | 0.442 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.8 | -30 | 178.4 | 36.2 | 0 | 0 | 0 | 0 | 113.2 | H191 T197 | H191-T194 PolarHBondContact O-N 3.16Å; H191-T194 PolarHBondContact O-OG1 2.95Å; T194-T197 PolarHBondContact O-OG1 3.28Å; T194-T197 VanDerWaalsContact O-OG1 3.12Å |
| 195 | N | 51 | Low | 59 | Low | 112 Ų | 112 | 91.9 Ų | 91.9 | 60% | 0.599 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -80.2 | -30.8 | 174.2 | -77.4 | -4.9 | 0 | 0 | 0 | 112.8 | H191 T197 | H191-N195 PolarHBondContact O-N 3Å; N195-T197 VanDerWaalsContact C-N 3.3Å; N195-T197 PolarHBondContact O-N 3.01Å |
| 196 | A | 52.3 | Low | 57 | Low | 68 Ų | 68 | 101 Ų | 101 | 56% | 0.562 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.2 | -25.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A192 | A192-A196 WeakPolarHBondContact O-CB 3.33Å; A192-A196 PolarHBondContact O-N 2.95Å |
| 197 | T | 47.9 | Very low | 54.8 | Low | 105 Ų | 105 | 101.5 Ų | 101.5 | 64% | 0.644 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -18 | -177.8 | 31.9 | 0 | 0 | 0 | 0 | 114 | A193 T194 N195 | A193-T197 PolarHBondContact O-N 3.36Å; A193-T197 PolarHBondContact O-OG1 3.27Å; T194-T197 PolarHBondContact O-OG1 3.28Å; T194-T197 VanDerWaalsContact O-OG1 3.12Å; N195-T197 VanDerWaalsContact C-N 3.3Å; N195-T197 PolarHBondContact O-N 3.01Å |
| 198 | H | 50.6 | Low | 52.8 | Low | 175 Ų | 175 | 102.7 Ų | 102.7 | 81% | 0.81 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -16 | 174.4 | -85.1 | -59.3 | 0 | 0 | 0 | 114.8 | ||
| 199 | A | 52.5 | Low | 51.2 | Low | 95 Ų | 95 | 106.4 Ų | 106.4 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -91.6 | -3.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 200 | G | 44.7 | Very low | 49.9 | Very low | 64 Ų | 64 | 105.8 Ų | 105.8 | 66% | 0.66 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -107.9 | 7.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 201 | N | 44.5 | Very low | 49.1 | Very low | 154 Ų | 154 | 107 Ų | 107 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | trans | -115.7 | 28.5 | -169.6 | -146.2 | 26.5 | 0 | 0 | 0 | 116 | ||||
| 202 | Q | 45.2 | Very low | 48.5 | Very low | 203 Ų | 203 | 114.9 Ų | 114.9 | 95% | 0.949 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -129.1 | 99.4 | 167 | -72.9 | -174 | 23.7 | 0 | 0 | 110 | ||
| 203 | G | 37.5 | Very low | 48 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | 148 | 83.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 204 | G | 38.4 | Very low | 47.6 | Very low | 76 Ų | 76 | 120.7 Ų | 120.7 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | trans | 172.1 | 50.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 205 | Q | 47.9 | Very low | 47.2 | Very low | 203 Ų | 203 | 123.4 Ų | 123.4 | 95% | 0.949 | 83% | 0.833 | S | S | * | * | trans | -85.3 | 119.6 | 164.1 | -120 | 169.8 | 5.7 | 0 | 0 | 109 | ||||
| 206 | Q | 47.7 | Very low | 47 | Very low | 194 Ų | 194 | 124.1 Ų | 124.1 | 91% | 0.907 | 85% | 0.847 | S | S | * | * | trans | -59.2 | 131.4 | -173 | -73.6 | 161.3 | -32.7 | 0 | 0 | 113.2 | ||||
| 207 | A | 44.7 | Very low | 46.6 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 88% | 0.884 | 87% | 0.865 | S | S | * | * | trans | -118.2 | 86.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 208 | G | 48.1 | Very low | 46.5 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 79% | 0.794 | 88% | 0.879 | S | S | * | * | trans | -93.6 | 133.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 209 | G | 49 | Very low | 46.2 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 84% | 0.835 | 88% | 0.884 | S | S | * | * | cis | 127.5 | 113.8 | 48.1 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 210 | G | 51.1 | Low | 45.8 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 89% | 0.892 | S | S | * | * | trans | -79.2 | -173.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 211 | C | 48.5 | Very low | 45.8 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 89% | 0.892 | 91% | 0.911 | S | S | * | * | trans | 80.3 | 95.4 | 174.2 | -70 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 212 | C | 47.6 | Very low | 46 | Very low | 210 Ų | 210 | 131.6 Ų | 131.6 | 100% | 1.419 | 92% | 0.919 | S | S | * | * | -159.1 | 0 | 93 | -103.7 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 212 of 212 residues in 1847.4 ms
(Link to these results)