| 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 | 54.8 | Low | 89.5 | Confident | 222 Ų | 222 | 33.2 Ų | 33.2 | 100% | 1.094 | 17% | 0.169 | S | C | * | . | 0 | 122.5 | 0 | -61.5 | -178.5 | -152 | 0 | 0 | 107.4 | |||||
| 2 | A | 83.6 | Confident | 90 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 29% | 0.289 | 15% | 0.154 | S | C | . | . | trans | -90.7 | 150.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P189 Q190 | A2-P189 HydrophobicContact CB-CG 4.24Å; A2-Q190 HydrophobicContact CB-CB 4.22Å; A2-Q190 HydrophobicContact CB-CG 3.52Å; A2-Q190 PolarHBondContact O-OE1 3.43Å | ||
| 3 | Y | 88.5 | Confident | 90.4 | Very high | 51 Ų | 51 | 28.2 Ų | 28.2 | 20% | 0.2 | 14% | 0.143 | C | C | . | . | trans | -126.1 | 153.2 | 179.5 | 54.2 | -94 | 0 | 0 | 0 | 108.7 | Y5 L6 Q54 K56 G188 | Y3-Y5 WeakPolarHBondContact CD2-O 3.41Å; Y3-L6 HydrophobicContact CD2-CB 4.1Å; Y3-L6 HydrophobicContact CE2-CB 3.65Å; Y3-L6 HydrophobicContact CE2-CD1 4.34Å; Y3-Q54 CarbonylContact C-O 3.6Å; Y3-Q54 WeakPolarHBondContact CA-O 3.12Å; Y3-K56 HydrophobicContact CD1-CB 4.12Å; Y3-K56 HydrophobicContact CD1-CD 4.08Å; Y3-K56 HydrophobicContact CD2-CB 4.37Å; Y3-K56 HydrophobicContact CE1-CD 4.02Å; Y3-K56 HydrophobicContact CG-CB 3.98Å; Y3-G188 VanDerWaalsContact CE2-CA 3.4Å; Y3-G188 CarbonylContact O-C 3.56Å; Y3-G188 WeakPolarHBondContact O-CA 3.28Å | ||
| 4 | A | 90.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -82.3 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | K53 Q54 G188 | A4-K53 HydrophobicContact CB-CB 4.16Å; A4-K53 HydrophobicContact CB-CD 4.21Å; A4-Q54 PolarHBondContact N-O 2.75Å; A4-G188 PolarHBondContact O-N 2.58Å |
| 5 | Y | 93.1 | Very high | 90.8 | Very high | 10 Ų | 10 | 29 Ų | 29 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 151.6 | 178.5 | -61.3 | -81.2 | 0 | 0 | 0 | 111.2 | Y3 F7 I55 K56 Y168 I171 I185 K186 H191 | Y3-Y5 WeakPolarHBondContact CD2-O 3.41Å; Y5-F7 HydrophobicContact CD1-CE1 4.48Å; Y5-F7 HydrophobicContact CG-CE1 4.17Å; Y5-I55 CarbonylContact O-C 3.54Å; Y5-I55 WeakPolarHBondContact O-CA 3.28Å; Y5-K56 PolarHBondContact O-N 3Å; Y5-Y168 HydrophobicContact CD2-CD2 4.37Å; Y5-Y168 HydrophobicContact CD2-CE2 4.22Å; Y5-Y168 HydrophobicContact CE2-CD2 4.27Å; Y5-Y168 AromaticContact CE2-CE2 3.78Å; Y5-Y168 HydrophobicContact CE2-CE2 3.78Å; Y5-I171 HydrophobicContact CD1-CD1 4.4Å; Y5-I171 HydrophobicContact CE1-CD1 4.46Å; Y5-I171 HydrophobicContact CE1-CG2 4.42Å; Y5-I185 HydrophobicContact CD1-CG2 4.09Å; Y5-K186 CarbonylContact C-O 3.51Å; Y5-K186 WeakPolarHBondContact CA-O 3.25Å; Y5-H191 AromaticContact CZ-CD2 3.73Å; Y5-H191 AromaticContact CZ-NE2 3.81Å; Y5-H191 PolarHBondContact OH-CD2 2.9Å; Y5-H191 PolarHBondContact OH-NE2 3.14Å |
| 6 | L | 94.6 | Very high | 90.9 | Very high | 9 Ų | 9 | 30.1 Ų | 30.1 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.1 | 166.2 | 175.6 | 164.3 | 0 | 0 | 0 | 108 | Y3 K56 Q58 I185 K186 | Y3-L6 HydrophobicContact CD2-CB 4.1Å; Y3-L6 HydrophobicContact CE2-CB 3.65Å; Y3-L6 HydrophobicContact CE2-CD1 4.34Å; L6-K56 CarbonylContact C-O 3.53Å; L6-K56 VanDerWaalsContact CA-O 3.24Å; L6-K56 WeakPolarHBondContact CA-O 3.47Å; L6-K56 HydrophobicContact CB-CB 4.36Å; L6-K56 HydrophobicContact CD1-CD 4.36Å; L6-K56 HydrophobicContact CG-CB 4.46Å; L6-Q58 HydrophobicContact CD1-CG 4.15Å; L6-Q58 HydrophobicContact CD2-CG 4.26Å; L6-Q58 HydrophobicContact CG-CG 4.14Å; L6-I185 WeakPolarHBondContact O-CA 3.35Å; L6-K186 HydrophobicContact CB-CB 4.23Å; L6-K186 PolarHBondContact N-O 3.24Å; L6-K186 PolarHBondContact O-N 3.05Å |
| 7 | F | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.5 | 175.9 | -59.9 | -21.9 | 0 | 0 | 0 | 110.3 | Y5 Y9 I55 K56 L57 Q58 A164 I167 I171 I185 | Y5-F7 HydrophobicContact CD1-CE1 4.48Å; Y5-F7 HydrophobicContact CG-CE1 4.17Å; F7-Y9 HydrophobicContact CB-CD1 4.19Å; F7-Y9 HydrophobicContact CB-CE1 3.84Å; F7-I55 HydrophobicContact CD2-CG2 3.66Å; F7-I55 HydrophobicContact CE2-CD1 3.87Å; F7-I55 HydrophobicContact CE2-CG2 3.78Å; F7-I55 HydrophobicContact CG-CG2 4.06Å; F7-I55 HydrophobicContact CZ-CD1 4.06Å; F7-I55 HydrophobicContact CZ-CG2 4.26Å; F7-K56 PolarHBondContact N-O 3.45Å; F7-L57 HydrophobicContact CB-CD2 3.93Å; F7-L57 HydrophobicContact CD2-CD2 4.03Å; F7-L57 HydrophobicContact CG-CD2 4.42Å; F7-Q58 PolarHBondContact O-N 3.47Å; F7-A164 HydrophobicContact CD2-CB 4.23Å; F7-A164 HydrophobicContact CE2-CB 4.36Å; F7-I167 HydrophobicContact CD1-CG2 4.07Å; F7-I167 HydrophobicContact CD2-CB 4.25Å; F7-I167 HydrophobicContact CD2-CD1 4.33Å; F7-I167 HydrophobicContact CD2-CG2 3.99Å; F7-I167 HydrophobicContact CE1-CG2 3.86Å; F7-I167 HydrophobicContact CE2-CB 3.99Å; F7-I167 HydrophobicContact CE2-CG2 3.76Å; F7-I167 HydrophobicContact CG-CG2 4.15Å; F7-I167 HydrophobicContact CZ-CB 4.36Å; F7-I167 HydrophobicContact CZ-CG2 3.71Å; F7-I171 HydrophobicContact CE1-CD1 3.56Å; F7-I171 HydrophobicContact CZ-CD1 3.71Å; F7-I185 HydrophobicContact CD1-CB 4.45Å; F7-I185 HydrophobicContact CD1-CG1 3.93Å; F7-I185 HydrophobicContact CD1-CG2 4.17Å; F7-I185 HydrophobicContact CE1-CG1 4.1Å; F7-I185 HydrophobicContact CE1-CG2 3.94Å |
| 8 | K | 95.2 | Very high | 91.5 | Very high | 33 Ų | 33 | 27.5 Ų | 27.5 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123.5 | 172.8 | 165.7 | 161.9 | 174.1 | -158.5 | 0 | 111.1 | Q58 W60 Y75 R77 G78 A79 A80 G81 G184 | K8-Q58 CarbonylContact C-O 3.35Å; K8-Q58 WeakPolarHBondContact CA-O 3.44Å; K8-W60 HydrophobicContact CB-CE3 4.47Å; K8-W60 HydrophobicContact CB-CH2 4.14Å; K8-W60 HydrophobicContact CB-CZ3 3.64Å; K8-W60 HydrophobicContact CD-CE3 4.02Å; K8-W60 HydrophobicContact CD-CH2 3.62Å; K8-W60 HydrophobicContact CD-CZ2 4.18Å; K8-W60 HydrophobicContact CD-CZ3 3.55Å; K8-W60 HydrophobicContact CG-CE3 3.66Å; K8-W60 HydrophobicContact CG-CH2 3.81Å; K8-W60 HydrophobicContact CG-CZ3 3.22Å; K8-Y75 WeakPolarHBondContact CE-O 3.48Å; K8-Y75 PolarHBondContact NZ-O 3.07Å; K8-R77 PolarHBondContact NZ-O 2.99Å; K8-G78 VanDerWaalsContact CD-O 3.23Å; K8-G78 WeakPolarHBondContact CD-O 3.5Å; K8-G78 WeakPolarHBondContact CG-O 3.43Å; K8-A79 HydrophobicContact CG-CB 4.44Å; K8-A80 PolarHBondContact O-N 3Å; K8-G81 PolarHBondContact O-N 2.99Å; K8-G184 PolarHBondContact N-O 3.34Å |
| 9 | Y | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 146.2 | -179.6 | -83.3 | 34 | 0 | 0 | 0 | 111 | F7 L57 Q58 I59 W60 G81 F160 T163 A164 I167 | F7-Y9 HydrophobicContact CB-CD1 4.19Å; F7-Y9 HydrophobicContact CB-CE1 3.84Å; Y9-L57 HydrophobicContact CE1-CD2 4Å; Y9-L57 HydrophobicContact CE2-CD1 4.35Å; Y9-Q58 PolarHBondContact N-O 3.36Å; Y9-I59 HydrophobicContact CG-CG1 4.47Å; Y9-W60 VanDerWaalsContact O-CE3 3.29Å; Y9-W60 PolarHBondContact O-N 3.25Å; Y9-G81 VanDerWaalsContact CA-O 3.27Å; Y9-G81 WeakPolarHBondContact CA-O 3.17Å; Y9-F160 HydrophobicContact CD2-CD1 4.33Å; Y9-F160 HydrophobicContact CE2-CD1 4.49Å; Y9-F160 PolarHBondContact OH-O 3.39Å; Y9-T163 HydrophobicContact CE1-CG2 4.48Å; Y9-T163 HydrophobicContact CE2-CG2 3.74Å; Y9-T163 WeakPolarHBondContact OH-CB 3.34Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.44Å; Y9-A164 WeakPolarHBondContact OH-CA 3.44Å; Y9-A164 WeakPolarHBondContact OH-CB 3.23Å; Y9-A164 PolarHBondContact OH-N 3.27Å; Y9-I167 HydrophobicContact CD1-CD1 4.44Å; Y9-I167 HydrophobicContact CE1-CD1 3.46Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.46Å |
| 10 | I | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 145.2 | 165.5 | 59.9 | 176.9 | 0 | 0 | 0 | 109.6 | I12 W60 Y76 A79 G81 A82 L83 | I10-I12 HydrophobicContact CB-CG2 4.43Å; I10-I12 HydrophobicContact CD1-CG2 4.01Å; I10-I12 HydrophobicContact CG1-CG2 4.23Å; I10-W60 WeakPolarHBondContact CA-O 3.46Å; I10-W60 HydrophobicContact CG2-CB 4.32Å; I10-Y76 HydrophobicContact CD1-CD1 3.82Å; I10-Y76 HydrophobicContact CD1-CD2 4.38Å; I10-Y76 HydrophobicContact CD1-CE1 4.16Å; I10-Y76 HydrophobicContact CD1-CG 3.93Å; I10-A79 HydrophobicContact CD1-CB 4.25Å; I10-A79 HydrophobicContact CG1-CB 4.19Å; I10-A79 HydrophobicContact CG2-CB 4.1Å; I10-G81 PolarHBondContact N-O 3.43Å; I10-G81 VanDerWaalsContact N-O 3.1Å; I10-A82 HydrophobicContact CD1-CB 4.16Å; I10-A82 HydrophobicContact CG1-CB 3.67Å; I10-A82 CarbonylContact O-C 3.56Å; I10-A82 WeakPolarHBondContact O-CA 2.97Å; I10-L83 PolarHBondContact O-N 3.41Å |
| 11 | I | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.1 | 168.6 | -44.6 | -177.3 | 0 | 0 | 0 | 107.6 | K19 L23 I59 W60 T62 L83 V85 F160 | I11-K19 HydrophobicContact CB-CB 4.35Å; I11-K19 HydrophobicContact CG2-CB 3.6Å; I11-K19 HydrophobicContact CG2-CD 3.93Å; I11-K19 HydrophobicContact CG2-CG 3.72Å; I11-L23 HydrophobicContact CD1-CB 3.93Å; I11-I59 HydrophobicContact CD1-CG2 3.75Å; I11-I59 HydrophobicContact CG1-CG2 3.71Å; I11-W60 PolarHBondContact N-O 3.27Å; I11-T62 WeakPolarHBondContact O-CB 3.42Å; I11-T62 PolarHBondContact O-N 2.92Å; I11-T62 PolarHBondContact O-OG1 3.48Å; I11-L83 WeakPolarHBondContact CA-O 3.44Å; I11-L83 HydrophobicContact CD1-CD1 4.46Å; I11-L83 HydrophobicContact CG1-CB 4.38Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.12Å; I11-V85 HydrophobicContact CG2-CG2 3.64Å; I11-F160 HydrophobicContact CD1-CE1 4.32Å; I11-F160 HydrophobicContact CD1-CZ 4.05Å |
| 12 | I | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 160.4 | -174.3 | 60.4 | 172.2 | 0 | 0 | 0 | 111 | I10 K19 T62 Y76 L83 L84 V85 W100 A104 | I10-I12 HydrophobicContact CB-CG2 4.43Å; I10-I12 HydrophobicContact CD1-CG2 4.01Å; I10-I12 HydrophobicContact CG1-CG2 4.23Å; I12-K19 VanDerWaalsContact C-CD 3.49Å; I12-T62 HydrophobicContact CG2-CG2 4.45Å; I12-Y76 HydrophobicContact CG2-CE1 3.89Å; I12-Y76 WeakPolarHBondContact CG2-OH 3.45Å; I12-L83 PolarHBondContact N-O 3.11Å; I12-L84 HydrophobicContact CD1-CD1 3.98Å; I12-L84 HydrophobicContact CG1-CB 4.3Å; I12-L84 HydrophobicContact CG1-CD1 3.84Å; I12-V85 PolarHBondContact O-N 3.41Å; I12-W100 HydrophobicContact CB-CE3 4.11Å; I12-W100 HydrophobicContact CB-CZ3 4.44Å; I12-A104 HydrophobicContact CD1-CB 3.77Å |
| 13 | G | 95.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 132 | 172.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K19 G64 W100 | G13-K19 WeakPolarHBondContact O-CE 3.39Å; G13-K19 PolarHBondContact O-NZ 2.82Å; G13-G64 WeakPolarHBondContact O-CA 3.18Å; G13-W100 WeakPolarHBondContact O-CZ2 3.34Å |
| 14 | D | 94.4 | Very high | 95 | Very high | 19 Ų | 19 | 12.4 Ų | 12.4 | 10% | 0.102 | 8% | 0.082 | C | C | . | . | trans | -60.5 | 161.5 | -172.3 | -81.1 | 12.8 | 0 | 0 | 0 | 114.4 | G16 V17 K19 T93 H96 W100 | D14-G16 PolarHBondContact O-N 3.23Å; D14-V17 HydrophobicContact CB-CG1 3.77Å; D14-V17 WeakPolarHBondContact O-CG1 3.46Å; D14-V17 WeakPolarHBondContact O-CG2 3.46Å; D14-K19 PolarHBondContact O-NZ 2.8Å; D14-T93 HydrophobicContact CB-CG2 3.96Å; D14-H96 IonicContact OD1-ND1 2.95Å; D14-H96 IonicContact OD2-CE1 3.41Å; D14-H96 IonicContact OD2-CG 3.66Å; D14-H96 IonicContact OD2-ND1 2.73Å; D14-H96 PolarHBondContact OD2-ND1 3.49Å; D14-W100 PolarHBondContact OD1-NE1 3.11Å | ||
| 15 | T | 92.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 12.8 Ų | 12.8 | 31% | 0.307 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 138.8 | 169.9 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | V17 L37 G64 Q65 R90 | T15-V17 VanDerWaalsContact C-N 3.28Å; T15-V17 PolarHBondContact O-N 3.28Å; T15-L37 HydrophobicContact CG2-CD2 3.49Å; T15-L37 VanDerWaalsContact CG2-CD2 3.49Å; T15-G64 PolarHBondContact N-O 2.95Å; T15-G64 VanDerWaalsContact N-O 3.16Å; T15-G64 PolarHBondContact OG1-O 3.34Å; T15-Q65 WeakPolarHBondContact OG1-CA 3.39Å; T15-Q65 PolarHBondContact OG1-N 2.94Å; T15-Q65 VanDerWaalsContact OG1-N 3.08Å; T15-R90 PolarHBondContact O-NH2 3.1Å |
| 16 | G | 92.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 12.3 Ų | 12.3 | 49% | 0.485 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 3.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | D14 G18 R90 K120 | D14-G16 PolarHBondContact O-N 3.23Å; G16-G18 PolarHBondContact O-N 3.04Å; G16-R90 VanDerWaalsContact C-NH2 3.33Å; G16-K120 WeakPolarHBondContact O-CE 3.33Å; G16-K120 PolarHBondContact O-NZ 2.99Å |
| 17 | V | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -71.7 | -16.5 | 174.2 | -56.2 | 0 | 0 | 0 | 0 | 113 | D14 T15 K19 V85 D87 T93 N119 | D14-V17 HydrophobicContact CB-CG1 3.77Å; D14-V17 WeakPolarHBondContact O-CG1 3.46Å; D14-V17 WeakPolarHBondContact O-CG2 3.46Å; T15-V17 VanDerWaalsContact C-N 3.28Å; T15-V17 PolarHBondContact O-N 3.28Å; V17-K19 HydrophobicContact CG2-CD 4.27Å; V17-K19 HydrophobicContact CG2-CG 3.58Å; 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 4.29Å; V17-D87 HydrophobicContact CG1-CB 4.11Å; V17-T93 HydrophobicContact CG1-CG2 3.83Å; V17-N119 PolarHBondContact O-ND2 2.91Å |
| 18 | G | 95.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 13% | 0.134 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 101.7 | 26.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G16 C21 L22 | G16-G18 PolarHBondContact O-N 3.04Å; G18-C21 PolarHBondContact O-N 2.67Å; G18-L22 WeakPolarHBondContact O-CG 3.42Å; G18-L22 PolarHBondContact O-N 3.23Å |
| 19 | K | 95.7 | Very high | 95.2 | Very high | 9 Ų | 9 | 20.9 Ų | 20.9 | 4% | 0.039 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.2 | -52.8 | 177.3 | -57.5 | -171.2 | -61.7 | -73.8 | 0 | 112.9 | I11 I12 G13 D14 V17 C21 L22 L23 D61 T62 G64 V85 | I11-K19 HydrophobicContact CB-CB 4.35Å; I11-K19 HydrophobicContact CG2-CB 3.6Å; I11-K19 HydrophobicContact CG2-CD 3.93Å; I11-K19 HydrophobicContact CG2-CG 3.72Å; I12-K19 VanDerWaalsContact C-CD 3.49Å; G13-K19 WeakPolarHBondContact O-CE 3.39Å; G13-K19 PolarHBondContact O-NZ 2.82Å; D14-K19 PolarHBondContact O-NZ 2.8Å; V17-K19 HydrophobicContact CG2-CD 4.27Å; V17-K19 HydrophobicContact CG2-CG 3.58Å; K19-C21 VanDerWaalsContact C-N 3.34Å; K19-C21 PolarHBondContact O-N 2.99Å; K19-L22 WeakPolarHBondContact O-CB 3.42Å; K19-L22 PolarHBondContact O-N 3.12Å; K19-L22 VanDerWaalsContact O-N 3.15Å; K19-L23 PolarHBondContact O-N 3.12Å; K19-D61 WeakPolarHBondContact CB-OD1 3.31Å; K19-T62 WeakPolarHBondContact CE-O 3.4Å; K19-G64 VanDerWaalsContact NZ-CA 3.29Å; K19-V85 HydrophobicContact CG-CB 4.2Å; K19-V85 HydrophobicContact CG-CG2 4.22Å |
| 20 | S | 94.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 177.6 | -39.1 | 0 | 0 | 0 | 0 | 112.2 | L22 L23 L24 H35 T38 D61 | S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 2.93Å; S20-L23 PolarHBondContact O-N 3.41Å; S20-L24 WeakPolarHBondContact O-CB 3.45Å; S20-L24 PolarHBondContact O-N 2.82Å; S20-H35 WeakPolarHBondContact CB-CE1 2.81Å; S20-H35 WeakPolarHBondContact CB-NE2 3.48Å; S20-T38 PolarHBondContact OG-OG1 3.3Å; S20-D61 VanDerWaalsContact CA-OD2 3.29Å; S20-D61 WeakPolarHBondContact CA-OD2 3.35Å; S20-D61 WeakPolarHBondContact CB-OD2 3.08Å; S20-D61 PolarHBondContact OG-OD2 2.97Å |
| 21 | C | 95.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 10% | 0.101 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 174.5 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | G18 K19 Q25 F31 H35 A150 | G18-C21 PolarHBondContact O-N 2.67Å; K19-C21 VanDerWaalsContact C-N 3.34Å; K19-C21 PolarHBondContact O-N 2.99Å; C21-Q25 WeakPolarHBondContact O-CB 3.23Å; C21-Q25 PolarHBondContact O-N 3.13Å; C21-F31 HydrophobicContact CB-CD2 4.43Å; C21-F31 HydrophobicContact CB-CE2 4.33Å; C21-H35 PolarHBondContact SG-CD2 2.86Å; C21-A150 HydrophobicContact CB-CB 3.64Å |
| 22 | L | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 175.2 | -73.8 | 168.6 | 0 | 0 | 0 | 111 | G18 K19 S20 Q25 F26 V85 I117 N119 A150 V156 | G18-L22 WeakPolarHBondContact O-CG 3.42Å; G18-L22 PolarHBondContact O-N 3.23Å; K19-L22 WeakPolarHBondContact O-CB 3.42Å; K19-L22 PolarHBondContact O-N 3.12Å; K19-L22 VanDerWaalsContact O-N 3.15Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 2.93Å; L22-Q25 PolarHBondContact O-N 2.81Å; L22-F26 VanDerWaalsContact O-CB 3.31Å; L22-F26 WeakPolarHBondContact O-CB 3.41Å; L22-F26 PolarHBondContact O-N 3.21Å; L22-V85 HydrophobicContact CD1-CG1 3.84Å; L22-V85 HydrophobicContact CD1-CG2 4.06Å; L22-I117 HydrophobicContact CD1-CD1 4.48Å; L22-I117 HydrophobicContact CD1-CG2 4.14Å; L22-N119 HydrophobicContact CD1-CB 4.38Å; L22-A150 HydrophobicContact CD2-CB 3.97Å; L22-A150 HydrophobicContact CG-CB 4.22Å; L22-V156 HydrophobicContact CD2-CG1 4.28Å; L22-V156 HydrophobicContact CD2-CG2 3.83Å |
| 23 | L | 96.6 | Very high | 92.7 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -51.8 | 175.4 | 178.5 | 58.8 | 0 | 0 | 0 | 111.1 | I11 K19 S20 Q25 F26 T27 I59 D61 | I11-L23 HydrophobicContact CD1-CB 3.93Å; K19-L23 PolarHBondContact O-N 3.12Å; S20-L23 PolarHBondContact O-N 3.41Å; L23-Q25 PolarHBondContact O-N 2.89Å; L23-F26 PolarHBondContact O-N 2.93Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L23-T27 HydrophobicContact CD1-CG2 3.85Å; L23-T27 HydrophobicContact CG-CG2 4.49Å; L23-T27 WeakPolarHBondContact O-CG2 3.39Å; L23-T27 PolarHBondContact O-N 3.05Å; L23-T27 PolarHBondContact O-OG1 3.04Å; L23-I59 HydrophobicContact CD1-CB 3.86Å; L23-I59 HydrophobicContact CD1-CD1 3.85Å; L23-I59 HydrophobicContact CD1-CG1 4.48Å; L23-I59 HydrophobicContact CD1-CG2 3.75Å; L23-D61 HydrophobicContact CD2-CB 3.66Å |
| 24 | L | 94.9 | Very high | 91.6 | Very high | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.152 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | -179.5 | -175.9 | 68 | 0 | 0 | 0 | 112 | S20 F26 T27 D28 K29 R30 Q32 | S20-L24 WeakPolarHBondContact O-CB 3.45Å; S20-L24 PolarHBondContact O-N 2.82Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 3.47Å; L24-T27 PolarHBondContact O-N 2.94Å; L24-D28 HydrophobicContact CD1-CB 3.91Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.1Å; L24-D28 WeakPolarHBondContact O-CA 3.12Å; L24-D28 WeakPolarHBondContact O-CB 3.49Å; L24-D28 PolarHBondContact O-N 3.4Å; L24-K29 PolarHBondContact O-N 3.14Å; L24-R30 HydrophobicContact CD2-CB 4.42Å; L24-R30 HydrophobicContact CG-CB 4.32Å; L24-Q32 HydrophobicContact CD2-CB 3.91Å |
| 25 | Q | 96.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 177.2 | -175.9 | 65.9 | -72.1 | 0 | 0 | 111.3 | C21 L22 L23 K29 R30 A150 A153 V156 | C21-Q25 WeakPolarHBondContact O-CB 3.23Å; C21-Q25 PolarHBondContact O-N 3.13Å; L22-Q25 PolarHBondContact O-N 2.81Å; L23-Q25 PolarHBondContact O-N 2.89Å; Q25-K29 WeakPolarHBondContact O-CA 3.3Å; Q25-K29 PolarHBondContact O-N 3.49Å; Q25-R30 WeakPolarHBondContact CA-O 3.24Å; Q25-R30 PolarHBondContact N-O 3.11Å; Q25-R30 VanDerWaalsContact OE1-N 3.15Å; Q25-A150 PolarHBondContact NE2-O 3.3Å; Q25-A153 HydrophobicContact CG-CB 4.01Å; Q25-V156 HydrophobicContact CB-CG1 4.14Å; Q25-V156 HydrophobicContact CG-CB 4.28Å; Q25-V156 HydrophobicContact CG-CG1 4.01Å; Q25-V156 HydrophobicContact CG-CG2 4.11Å |
| 26 | F | 97.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.7 | -43.3 | 175.2 | -179.8 | -110.5 | 0 | 0 | 0 | 112.6 | L22 L23 L24 R46 I48 L57 I59 V156 F160 | L22-F26 VanDerWaalsContact O-CB 3.31Å; L22-F26 WeakPolarHBondContact O-CB 3.41Å; L22-F26 PolarHBondContact O-N 3.21Å; L23-F26 PolarHBondContact O-N 2.93Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L24-F26 VanDerWaalsContact C-N 3.28Å; L24-F26 PolarHBondContact O-N 3.47Å; F26-R46 HydrophobicContact CD1-CB 4.39Å; F26-R46 HydrophobicContact CE1-CB 3.71Å; F26-R46 HydrophobicContact CE1-CG 4.17Å; F26-R46 HydrophobicContact CZ-CB 4.28Å; F26-R46 HydrophobicContact CZ-CG 4.32Å; F26-R46 VanDerWaalsContact O-CD 3.29Å; F26-R46 WeakPolarHBondContact O-CD 3.49Å; F26-R46 PolarHBondContact O-NH1 3.35Å; F26-I48 HydrophobicContact CZ-CG2 3.99Å; F26-L57 HydrophobicContact CE1-CD1 4.09Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; F26-I59 HydrophobicContact CD1-CD1 3.79Å; F26-I59 HydrophobicContact CE1-CD1 3.77Å; F26-V156 HydrophobicContact CB-CG1 4.11Å; F26-F160 HydrophobicContact CB-CD2 4.04Å; F26-F160 HydrophobicContact CB-CE1 4.46Å; F26-F160 HydrophobicContact CB-CE2 3.77Å; F26-F160 HydrophobicContact CB-CG 4.47Å; F26-F160 HydrophobicContact CB-CZ 4Å; F26-F160 HydrophobicContact CD1-CB 4.46Å; F26-F160 AromaticContact CD1-CD1 3.72Å; F26-F160 HydrophobicContact CD1-CD1 3.72Å; F26-F160 HydrophobicContact CD1-CD2 4.35Å; F26-F160 AromaticContact CD1-CE1 3.95Å; F26-F160 HydrophobicContact CD1-CE1 3.95Å; F26-F160 AromaticContact CD1-CG 3.93Å; F26-F160 HydrophobicContact CD1-CG 3.93Å; F26-F160 HydrophobicContact CD1-CZ 4.33Å; F26-F160 HydrophobicContact CD2-CB 3.86Å; F26-F160 HydrophobicContact CD2-CD1 4.41Å; F26-F160 AromaticContact CD2-CD2 3.8Å; F26-F160 HydrophobicContact CD2-CD2 3.8Å; F26-F160 HydrophobicContact CD2-CE2 4.41Å; F26-F160 AromaticContact CD2-CG 3.77Å; F26-F160 HydrophobicContact CD2-CG 3.77Å; F26-F160 HydrophobicContact CE1-CB 4.15Å; F26-F160 AromaticContact CE1-CD1 3.84Å; F26-F160 HydrophobicContact CE1-CD1 3.84Å; F26-F160 HydrophobicContact CE1-CE1 4.47Å; F26-F160 HydrophobicContact CE1-CG 4.05Å; F26-F160 HydrophobicContact CE2-CB 3.52Å; F26-F160 HydrophobicContact CE2-CD2 4.36Å; F26-F160 AromaticContact CE2-CG 3.92Å; F26-F160 HydrophobicContact CE2-CG 3.92Å; F26-F160 HydrophobicContact CG-CB 4.33Å; F26-F160 HydrophobicContact CG-CD1 4.02Å; F26-F160 AromaticContact CG-CD2 3.8Å; F26-F160 HydrophobicContact CG-CD2 3.8Å; F26-F160 HydrophobicContact CG-CE1 4.23Å; F26-F160 HydrophobicContact CG-CE2 4Å; F26-F160 AromaticContact CG-CG 3.79Å; F26-F160 HydrophobicContact CG-CG 3.79Å; F26-F160 HydrophobicContact CG-CZ 4.21Å; F26-F160 HydrophobicContact CZ-CB 3.68Å; F26-F160 HydrophobicContact CZ-CD1 4.27Å; F26-F160 HydrophobicContact CZ-CG 4.06Å |
| 27 | T | 94.7 | Very high | 88.7 | Confident | 38 Ų | 38 | 55.4 Ų | 55.4 | 23% | 0.233 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -82.4 | -43.1 | -176.1 | 60.4 | 0 | 0 | 0 | 0 | 112.9 | L23 L24 | L23-T27 HydrophobicContact CD1-CG2 3.85Å; L23-T27 HydrophobicContact CG-CG2 4.49Å; L23-T27 WeakPolarHBondContact O-CG2 3.39Å; L23-T27 PolarHBondContact O-N 3.05Å; L23-T27 PolarHBondContact O-OG1 3.04Å; L24-T27 PolarHBondContact O-N 2.94Å |
| 28 | D | 93 | Very high | 87.6 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -114.7 | -6.9 | -164.6 | -65.7 | 17 | 0 | 0 | 0 | 113.1 | L24 R30 | L24-D28 HydrophobicContact CD1-CB 3.91Å; L24-D28 WeakPolarHBondContact CD1-OD2 3.1Å; L24-D28 WeakPolarHBondContact O-CA 3.12Å; L24-D28 WeakPolarHBondContact O-CB 3.49Å; L24-D28 PolarHBondContact O-N 3.4Å; D28-R30 HydrophobicContact CB-CB 4.36Å; D28-R30 HydrophobicContact CB-CG 4.31Å; D28-R30 PolarHBondContact O-N 3.38Å; D28-R30 IonicContact OD2-CZ 3.03Å; D28-R30 IonicContact OD2-NE 3.7Å; D28-R30 IonicContact OD2-NH2 3.31Å; D28-R30 PolarHBondContact OD2-NH2 2.99Å |
| 29 | K | 93.3 | Very high | 86.4 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 48% | 0.478 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 56.6 | 36.1 | -174.4 | -54.3 | -66 | 168.8 | -167.3 | 0 | 112.7 | L24 Q25 E157 | L24-K29 PolarHBondContact O-N 3.14Å; Q25-K29 WeakPolarHBondContact O-CA 3.3Å; Q25-K29 PolarHBondContact O-N 3.49Å; K29-E157 IonicContact NZ-OE2 3.51Å; K29-E157 PolarHBondContact NZ-OE2 3.43Å |
| 30 | R | 89.7 | Confident | 85.2 | Confident | 146 Ų | 146 | 62.6 Ų | 62.6 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | trans | -123.9 | 150.9 | 179.9 | -67.7 | -173 | -63.4 | 160.3 | 0.5 | 111.2 | L24 Q25 D28 | L24-R30 HydrophobicContact CD2-CB 4.42Å; L24-R30 HydrophobicContact CG-CB 4.32Å; Q25-R30 WeakPolarHBondContact CA-O 3.24Å; Q25-R30 PolarHBondContact N-O 3.11Å; Q25-R30 VanDerWaalsContact OE1-N 3.15Å; D28-R30 HydrophobicContact CB-CB 4.36Å; D28-R30 HydrophobicContact CB-CG 4.31Å; D28-R30 PolarHBondContact O-N 3.38Å; D28-R30 IonicContact OD2-CZ 3.03Å; D28-R30 IonicContact OD2-NE 3.7Å; D28-R30 IonicContact OD2-NH2 3.31Å; D28-R30 PolarHBondContact OD2-NH2 2.99Å | ||
| 31 | F | 87 | Confident | 84.6 | Confident | 82 Ų | 82 | 63.7 Ų | 63.7 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | trans | -119.7 | 129.6 | 170.4 | 175.3 | -105.3 | 0 | 0 | 0 | 109.9 | C21 P33 A150 K151 | C21-F31 HydrophobicContact CB-CD2 4.43Å; C21-F31 HydrophobicContact CB-CE2 4.33Å; F31-P33 HydrophobicContact CE1-CB 3.85Å; F31-P33 HydrophobicContact CZ-CB 4.45Å; F31-A150 HydrophobicContact CD2-CB 4.35Å; F31-A150 WeakPolarHBondContact CD2-O 3.2Å; F31-A150 HydrophobicContact CE2-CB 4.5Å; F31-K151 HydrophobicContact CD1-CB 4.42Å; F31-K151 HydrophobicContact CD1-CG 4.07Å; F31-K151 HydrophobicContact CD2-CB 4.18Å; F31-K151 HydrophobicContact CE1-CB 4.24Å; F31-K151 HydrophobicContact CE1-CG 3.88Å; F31-K151 HydrophobicContact CE2-CB 3.99Å; F31-K151 HydrophobicContact CG-CB 4.39Å; F31-K151 HydrophobicContact CG-CG 4.46Å; F31-K151 HydrophobicContact CZ-CB 4.02Å; F31-K151 HydrophobicContact CZ-CG 4.13Å | ||
| 32 | Q | 82 | Confident | 84.1 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 42% | 0.416 | 35% | 0.346 | S | S | . | . | trans | -112.4 | 112.1 | 176.3 | -171.3 | 171.8 | -29.2 | 0 | 0 | 109.5 | L24 V34 | L24-Q32 HydrophobicContact CD2-CB 3.91Å; Q32-V34 VanDerWaalsContact CG-O 3.3Å; Q32-V34 WeakPolarHBondContact CG-O 3.29Å; Q32-V34 PolarHBondContact NE2-O 2.93Å | ||
| 33 | P | 71.8 | Confident | 83.8 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 68% | 0.682 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -73.7 | -29.1 | -175.7 | 26.2 | -32.3 | 0 | 0 | 0 | 113.4 | F31 | F31-P33 HydrophobicContact CE1-CB 3.85Å; F31-P33 HydrophobicContact CZ-CB 4.45Å |
| 34 | V | 72.1 | Confident | 83.7 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -104.3 | 99.9 | 175 | -177.2 | 0 | 0 | 0 | 0 | 107.4 | Q32 | Q32-V34 VanDerWaalsContact CG-O 3.3Å; Q32-V34 WeakPolarHBondContact CG-O 3.29Å; Q32-V34 PolarHBondContact NE2-O 2.93Å |
| 35 | H | 65.9 | Low | 83.7 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 29% | 0.287 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 123.1 | 176.8 | -131.8 | -70.1 | 0 | 0 | 0 | 109.2 | S20 C21 | S20-H35 WeakPolarHBondContact CB-CE1 2.81Å; S20-H35 WeakPolarHBondContact CB-NE2 3.48Å; C21-H35 PolarHBondContact SG-CD2 2.86Å |
| 36 | D | 73.9 | Confident | 83.7 | Confident | 133 Ų | 133 | 75.7 Ų | 75.7 | 71% | 0.711 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 150.1 | 167.9 | -68 | -37.1 | 0 | 0 | 0 | 109.3 | T38 | D36-T38 PolarHBondContact O-N 3.08Š|
| 37 | L | 78.8 | Confident | 83.6 | Confident | 118 Ų | 118 | 78.4 Ų | 78.4 | 62% | 0.618 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 125.8 | 175.2 | -67.1 | 174.8 | 0 | 0 | 0 | 109 | T15 I39 | T15-L37 HydrophobicContact CG2-CD2 3.49Å; T15-L37 VanDerWaalsContact CG2-CD2 3.49Å; L37-I39 PolarHBondContact O-N 3.16Å |
| 38 | T | 73.1 | Confident | 83.7 | Confident | 19 Ų | 19 | 77 Ų | 77 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | trans | -63.1 | 111.9 | 174.2 | -41 | 0 | 0 | 0 | 0 | 109.2 | S20 D36 E42 A63 | S20-T38 PolarHBondContact OG-OG1 3.3Å; D36-T38 PolarHBondContact O-N 3.08Å; T38-E42 HydrophobicContact CG2-CG 4.13Å; T38-A63 VanDerWaalsContact O-CB 3.29Å; T38-A63 WeakPolarHBondContact O-CB 3.37Å | ||
| 39 | I | 71.4 | Confident | 83.8 | Confident | 140 Ų | 140 | 77.5 Ų | 77.5 | 72% | 0.718 | 40% | 0.4 | S | S | * | . | trans | -92.9 | 111.9 | 174.3 | -58.2 | 176.1 | 0 | 0 | 0 | 107.5 | L37 V41 F68 | L37-I39 PolarHBondContact O-N 3.16Å; I39-V41 PolarHBondContact O-N 3.36Å; I39-F68 HydrophobicContact CG2-CZ 4.42Å | ||
| 40 | G | 70.6 | Confident | 83.9 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 80 | -114.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A63 | G40-A63 WeakPolarHBondContact O-CB 3.46Å; G40-A63 PolarHBondContact O-N 3.4Å |
| 41 | V | 80.3 | Confident | 84 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 133.1 | -173.4 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | I39 W60 D61 T62 T72 Y75 | I39-V41 PolarHBondContact O-N 3.36Å; V41-W60 HydrophobicContact CG1-CB 3.87Å; V41-W60 HydrophobicContact CG1-CG 4.22Å; V41-D61 CarbonylContact C-O 3.46Å; V41-D61 VanDerWaalsContact CA-O 3.24Å; V41-D61 WeakPolarHBondContact CA-O 3.44Å; V41-D61 WeakPolarHBondContact CG1-O 3.32Å; V41-T62 HydrophobicContact CG2-CG2 4.38Å; V41-T72 HydrophobicContact CG2-CG2 4.48Å; V41-Y75 HydrophobicContact CB-CD2 4.49Å; V41-Y75 HydrophobicContact CB-CE1 4.23Å; V41-Y75 HydrophobicContact CB-CE2 4.06Å; V41-Y75 HydrophobicContact CG1-CD1 4.12Å; V41-Y75 HydrophobicContact CG1-CE1 3.98Å; V41-Y75 HydrophobicContact CG1-CG 4.43Å; V41-Y75 HydrophobicContact CG2-CD1 4.46Å; V41-Y75 HydrophobicContact CG2-CD2 3.57Å; V41-Y75 HydrophobicContact CG2-CE1 4.3Å; V41-Y75 HydrophobicContact CG2-CE2 3.38Å; V41-Y75 HydrophobicContact CG2-CG 4.11Å |
| 42 | E | 86.5 | Confident | 84.2 | Confident | 93 Ų | 93 | 71 Ų | 71 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 149.5 | 171.2 | -73 | -177 | -172.1 | 0 | 0 | 111 | T38 W60 D61 | T38-E42 HydrophobicContact CG2-CG 4.13Å; E42-W60 CarbonylContact O-C 3.59Å; E42-W60 WeakPolarHBondContact O-CA 3.34Å; E42-D61 HydrophobicContact CB-CB 4.25Å; E42-D61 PolarHBondContact N-O 2.97Å; E42-D61 PolarHBondContact O-N 3.11Å |
| 43 | F | 90.8 | Very high | 84.7 | Confident | 109 Ų | 109 | 70.7 Ų | 70.7 | 48% | 0.478 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127.6 | -177.5 | 175.2 | -95.6 | 0 | 0 | 0 | 111.1 | A45 Q58 I59 W60 | F43-A45 HydrophobicContact CE1-CB 3.98Å; F43-A45 HydrophobicContact CZ-CB 3.94Å; F43-Q58 HydrophobicContact CE2-CB 3.83Å; F43-Q58 HydrophobicContact CE2-CG 4.01Å; F43-Q58 HydrophobicContact CZ-CB 4.18Å; F43-Q58 HydrophobicContact CZ-CG 3.89Å; F43-I59 WeakPolarHBondContact CA-O 3.37Å; F43-W60 HydrophobicContact CD2-CD2 4.2Å; F43-W60 AromaticContact CD2-CE2 3.92Å; F43-W60 HydrophobicContact CD2-CZ2 4.2Å; F43-W60 HydrophobicContact CE2-CH2 4.13Å; F43-W60 AromaticContact CE2-CZ2 3.99Å; F43-W60 HydrophobicContact CE2-CZ2 3.99Å; F43-W60 HydrophobicContact CE2-CZ3 4.4Å |
| 44 | G | 93.6 | Very high | 85.8 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 155.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I59 | G44-I59 PolarHBondContact N-O 2.94Å; G44-I59 PolarHBondContact O-N 3.35Å |
| 45 | A | 95.3 | Very high | 86.9 | Confident | 45 Ų | 45 | 64.1 Ų | 64.1 | 37% | 0.372 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 140.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F43 L57 | F43-A45 HydrophobicContact CE1-CB 3.98Å; F43-A45 HydrophobicContact CZ-CB 3.94Å; A45-L57 CarbonylContact C-O 3.58Å; A45-L57 WeakPolarHBondContact CA-O 3.19Å; A45-L57 WeakPolarHBondContact CB-O 3.21Å |
| 46 | R | 95.8 | Very high | 88.4 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 140.6 | 177.3 | -172 | 165.3 | 173.8 | -142 | -13.6 | 111.3 | F26 L57 E157 | F26-R46 HydrophobicContact CD1-CB 4.39Å; F26-R46 HydrophobicContact CE1-CB 3.71Å; F26-R46 HydrophobicContact CE1-CG 4.17Å; F26-R46 HydrophobicContact CZ-CB 4.28Å; F26-R46 HydrophobicContact CZ-CG 4.32Å; F26-R46 VanDerWaalsContact O-CD 3.29Å; F26-R46 WeakPolarHBondContact O-CD 3.49Å; F26-R46 PolarHBondContact O-NH1 3.35Å; R46-L57 PolarHBondContact N-O 2.87Å; R46-L57 PolarHBondContact O-N 3.26Å; R46-E157 IonicContact CZ-OE1 2.8Å; R46-E157 IonicContact CZ-OE2 3.61Å; R46-E157 VanDerWaalsContact NH1-CD 3.25Å; R46-E157 IonicContact NH1-OE1 3.44Å; R46-E157 PolarHBondContact NH1-OE1 3.43Å; R46-E157 IonicContact NH1-OE2 3.03Å; R46-E157 PolarHBondContact NH1-OE2 3.27Å; R46-E157 IonicContact NH2-OE1 2.79Å; R46-E157 PolarHBondContact NH2-OE1 3.3Å; R46-E157 IonicContact NH2-OE2 2.71Å; R46-E157 PolarHBondContact NH2-OE2 2.73Å |
| 47 | M | 96.1 | Very high | 89.5 | Confident | 56 Ų | 56 | 57.9 Ų | 57.9 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.8 | 170.8 | -69.8 | -58.4 | -59.3 | 0 | 0 | 109.5 | Q54 I55 K56 | M47-Q54 HydrophobicContact CE-CB 3.74Å; M47-I55 WeakPolarHBondContact CA-O 3.22Å; M47-K56 HydrophobicContact SD-CB 3.55Å; M47-K56 VanDerWaalsContact SD-CB 3.55Å; M47-K56 HydrophobicContact SD-CD 4.3Å; M47-K56 HydrophobicContact SD-CG 3.8Å |
| 48 | I | 96.4 | Very high | 90.4 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 163 | 172.6 | 65.2 | 167.7 | 0 | 0 | 0 | 110 | F26 I50 Q54 I55 L57 I161 A164 | F26-I48 HydrophobicContact CZ-CG2 3.99Å; I48-I50 HydrophobicContact CD1-CD1 3.84Å; I48-I50 HydrophobicContact CD1-CG1 4.11Å; I48-Q54 PolarHBondContact O-OE1 3.17Å; I48-I55 HydrophobicContact CG1-CB 4.03Å; I48-I55 HydrophobicContact CG1-CG2 4.48Å; I48-I55 PolarHBondContact N-O 2.82Å; I48-I55 PolarHBondContact O-N 3.07Å; I48-L57 HydrophobicContact CD1-CD1 3.89Å; I48-L57 HydrophobicContact CD1-CD2 4.15Å; I48-L57 HydrophobicContact CD1-CG 4Å; I48-L57 HydrophobicContact CG1-CD1 4.45Å; I48-L57 HydrophobicContact CG1-CG 4.2Å; I48-L57 HydrophobicContact CG2-CD1 4.37Å; I48-I161 HydrophobicContact CD1-CG1 4.48Å; I48-A164 HydrophobicContact CD1-CB 3.57Å |
| 49 | T | 95.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.2 | 175.6 | -52.3 | 0 | 0 | 0 | 0 | 109.7 | K53 Q54 | T49-K53 WeakPolarHBondContact CA-O 3.36Å; T49-Q54 PolarHBondContact OG1-NE2 3.5Å |
| 50 | I | 94.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.1 | 172.4 | -61.4 | -174 | 0 | 0 | 0 | 107.5 | I48 G52 K53 I55 A164 K165 Y168 | I48-I50 HydrophobicContact CD1-CD1 3.84Å; I48-I50 HydrophobicContact CD1-CG1 4.11Å; I50-G52 PolarHBondContact O-N 3.44Å; I50-G52 VanDerWaalsContact O-N 3.12Å; I50-K53 PolarHBondContact N-O 2.73Å; I50-K53 WeakPolarHBondContact O-CA 3.41Å; I50-K53 VanDerWaalsContact O-CB 3.32Å; I50-K53 WeakPolarHBondContact O-CB 3.36Å; I50-K53 PolarHBondContact O-N 3.16Å; I50-I55 HydrophobicContact CB-CD1 3.9Å; I50-I55 HydrophobicContact CD1-CD1 3.98Å; I50-I55 HydrophobicContact CG1-CD1 4.12Å; I50-A164 HydrophobicContact CD1-CB 3.46Å; I50-A164 VanDerWaalsContact CD1-CB 3.46Å; I50-K165 HydrophobicContact CD1-CB 4.46Å; I50-K165 HydrophobicContact CD1-CG 3.78Å; I50-K165 HydrophobicContact CG1-CG 4.32Å; I50-K165 HydrophobicContact CG2-CG 4.08Å; I50-Y168 HydrophobicContact CG2-CD1 3.9Å; I50-Y168 HydrophobicContact CG2-CE1 4.4Å; I50-Y168 HydrophobicContact CG2-CG 4.26Å |
| 51 | D | 92.1 | Very high | 93.6 | Very high | 130 Ų | 130 | 48 Ų | 48 | 70% | 0.695 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 42.1 | -179.6 | -59.4 | -12.7 | 0 | 0 | 0 | 114 | K53 Y168 | D51-K53 PolarHBondContact O-N 2.95Å; D51-Y168 HydrophobicContact CB-CE1 4.28Å |
| 52 | G | 91.1 | Very high | 94 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73 | -0.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | I50 | I50-G52 PolarHBondContact O-N 3.44Å; I50-G52 VanDerWaalsContact O-N 3.12Å |
| 53 | K | 92.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 42 Ų | 42 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.3 | 173.9 | -58.4 | -63.8 | -175.6 | 177.5 | 0 | 110.7 | A4 T49 I50 D51 | A4-K53 HydrophobicContact CB-CB 4.16Å; A4-K53 HydrophobicContact CB-CD 4.21Å; T49-K53 WeakPolarHBondContact CA-O 3.36Å; I50-K53 PolarHBondContact N-O 2.73Å; I50-K53 WeakPolarHBondContact O-CA 3.41Å; I50-K53 VanDerWaalsContact O-CB 3.32Å; I50-K53 WeakPolarHBondContact O-CB 3.36Å; I50-K53 PolarHBondContact O-N 3.16Å; D51-K53 PolarHBondContact O-N 2.95Å |
| 54 | Q | 95.4 | Very high | 93 | Very high | 74 Ų | 74 | 37.1 Ų | 37.1 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.8 | 171.5 | -72 | -66.5 | -12.3 | 0 | 0 | 109.7 | Y3 A4 M47 I48 T49 | Y3-Q54 CarbonylContact C-O 3.6Å; Y3-Q54 WeakPolarHBondContact CA-O 3.12Å; A4-Q54 PolarHBondContact N-O 2.75Å; M47-Q54 HydrophobicContact CE-CB 3.74Å; I48-Q54 PolarHBondContact O-OE1 3.17Å; T49-Q54 PolarHBondContact OG1-NE2 3.5Å |
| 55 | I | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.9 | 180 | -60.2 | 179.7 | 0 | 0 | 0 | 108.9 | Y5 F7 M47 I48 I50 L57 Y168 | Y5-I55 CarbonylContact O-C 3.54Å; Y5-I55 WeakPolarHBondContact O-CA 3.28Å; F7-I55 HydrophobicContact CD2-CG2 3.66Å; F7-I55 HydrophobicContact CE2-CD1 3.87Å; F7-I55 HydrophobicContact CE2-CG2 3.78Å; F7-I55 HydrophobicContact CG-CG2 4.06Å; F7-I55 HydrophobicContact CZ-CD1 4.06Å; F7-I55 HydrophobicContact CZ-CG2 4.26Å; M47-I55 WeakPolarHBondContact CA-O 3.22Å; I48-I55 HydrophobicContact CG1-CB 4.03Å; I48-I55 HydrophobicContact CG1-CG2 4.48Å; I48-I55 PolarHBondContact N-O 2.82Å; I48-I55 PolarHBondContact O-N 3.07Å; I50-I55 HydrophobicContact CB-CD1 3.9Å; I50-I55 HydrophobicContact CD1-CD1 3.98Å; I50-I55 HydrophobicContact CG1-CD1 4.12Å; I55-L57 HydrophobicContact CG2-CD2 4.1Å; I55-Y168 HydrophobicContact CD1-CD2 4.22Å |
| 56 | K | 96.7 | Very high | 90.7 | Very high | 64 Ų | 64 | 44.1 Ų | 44.1 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 112.5 | 174.3 | -171 | 173.3 | -178.2 | 179.6 | 0 | 109.6 | Y3 Y5 L6 F7 M47 | Y3-K56 HydrophobicContact CD1-CB 4.12Å; Y3-K56 HydrophobicContact CD1-CD 4.08Å; Y3-K56 HydrophobicContact CD2-CB 4.37Å; Y3-K56 HydrophobicContact CE1-CD 4.02Å; Y3-K56 HydrophobicContact CG-CB 3.98Å; Y5-K56 PolarHBondContact O-N 3Å; L6-K56 CarbonylContact C-O 3.53Å; L6-K56 VanDerWaalsContact CA-O 3.24Å; L6-K56 WeakPolarHBondContact CA-O 3.47Å; L6-K56 HydrophobicContact CB-CB 4.36Å; L6-K56 HydrophobicContact CD1-CD 4.36Å; L6-K56 HydrophobicContact CG-CB 4.46Å; F7-K56 PolarHBondContact N-O 3.45Å; M47-K56 HydrophobicContact SD-CB 3.55Å; M47-K56 VanDerWaalsContact SD-CB 3.55Å; M47-K56 HydrophobicContact SD-CD 4.3Å; M47-K56 HydrophobicContact SD-CG 3.8Å |
| 57 | L | 97.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 128.1 | 167.6 | -57.5 | -171.5 | 0 | 0 | 0 | 109 | F7 Y9 F26 A45 R46 I48 I55 I59 F160 A164 | F7-L57 HydrophobicContact CB-CD2 3.93Å; F7-L57 HydrophobicContact CD2-CD2 4.03Å; F7-L57 HydrophobicContact CG-CD2 4.42Å; Y9-L57 HydrophobicContact CE1-CD2 4Å; Y9-L57 HydrophobicContact CE2-CD1 4.35Å; F26-L57 HydrophobicContact CE1-CD1 4.09Å; F26-L57 HydrophobicContact CZ-CD1 3.96Å; A45-L57 CarbonylContact C-O 3.58Å; A45-L57 WeakPolarHBondContact CA-O 3.19Å; A45-L57 WeakPolarHBondContact CB-O 3.21Å; R46-L57 PolarHBondContact N-O 2.87Å; R46-L57 PolarHBondContact O-N 3.26Å; I48-L57 HydrophobicContact CD1-CD1 3.89Å; I48-L57 HydrophobicContact CD1-CD2 4.15Å; I48-L57 HydrophobicContact CD1-CG 4Å; I48-L57 HydrophobicContact CG1-CD1 4.45Å; I48-L57 HydrophobicContact CG1-CG 4.2Å; I48-L57 HydrophobicContact CG2-CD1 4.37Å; I55-L57 HydrophobicContact CG2-CD2 4.1Å; L57-I59 HydrophobicContact CB-CD1 4.23Å; L57-I59 HydrophobicContact CB-CG1 4.22Å; L57-F160 HydrophobicContact CD1-CB 4.42Å; L57-A164 HydrophobicContact CD2-CB 4.15Å |
| 58 | Q | 96.4 | Very high | 87.7 | Confident | 44 Ų | 44 | 45.5 Ų | 45.5 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.5 | 165.7 | -74.5 | -165.4 | -39.6 | 0 | 0 | 107.4 | L6 F7 K8 Y9 F43 W60 | L6-Q58 HydrophobicContact CD1-CG 4.15Å; L6-Q58 HydrophobicContact CD2-CG 4.26Å; L6-Q58 HydrophobicContact CG-CG 4.14Å; F7-Q58 PolarHBondContact O-N 3.47Å; K8-Q58 CarbonylContact C-O 3.35Å; K8-Q58 WeakPolarHBondContact CA-O 3.44Å; Y9-Q58 PolarHBondContact N-O 3.36Å; F43-Q58 HydrophobicContact CE2-CB 3.83Å; F43-Q58 HydrophobicContact CE2-CG 4.01Å; F43-Q58 HydrophobicContact CZ-CB 4.18Å; F43-Q58 HydrophobicContact CZ-CG 3.89Å; Q58-W60 VanDerWaalsContact C-CZ3 3.45Å; Q58-W60 HydrophobicContact CB-CE3 4.23Å; Q58-W60 HydrophobicContact CB-CH2 3.56Å; Q58-W60 HydrophobicContact CB-CZ3 3.27Å; Q58-W60 HydrophobicContact CG-CH2 4.41Å; Q58-W60 WeakPolarHBondContact O-CZ3 3.49Å |
| 59 | I | 96.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.3 | -167.5 | -54.6 | 153.2 | 0 | 0 | 0 | 108.5 | Y9 I11 L23 F26 F43 G44 L57 F160 | Y9-I59 HydrophobicContact CG-CG1 4.47Å; I11-I59 HydrophobicContact CD1-CG2 3.75Å; I11-I59 HydrophobicContact CG1-CG2 3.71Å; L23-I59 HydrophobicContact CD1-CB 3.86Å; L23-I59 HydrophobicContact CD1-CD1 3.85Å; L23-I59 HydrophobicContact CD1-CG1 4.48Å; L23-I59 HydrophobicContact CD1-CG2 3.75Å; F26-I59 HydrophobicContact CD1-CD1 3.79Å; F26-I59 HydrophobicContact CE1-CD1 3.77Å; F43-I59 WeakPolarHBondContact CA-O 3.37Å; G44-I59 PolarHBondContact N-O 2.94Å; G44-I59 PolarHBondContact O-N 3.35Å; L57-I59 HydrophobicContact CB-CD1 4.23Å; L57-I59 HydrophobicContact CB-CG1 4.22Å; I59-F160 HydrophobicContact CD1-CD1 3.84Å; I59-F160 HydrophobicContact CD1-CE1 3.66Å; I59-F160 HydrophobicContact CG1-CE1 4.29Å; I59-F160 HydrophobicContact CG2-CE1 4.24Å |
| 60 | W | 94.3 | Very high | 85 | Confident | 40 Ų | 40 | 47 Ų | 47 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 107.8 | 175.8 | -72.1 | -99.5 | 0 | 0 | 0 | 108.5 | K8 Y9 I10 I11 V41 E42 F43 Q58 Y75 | K8-W60 HydrophobicContact CB-CE3 4.47Å; K8-W60 HydrophobicContact CB-CH2 4.14Å; K8-W60 HydrophobicContact CB-CZ3 3.64Å; K8-W60 HydrophobicContact CD-CE3 4.02Å; K8-W60 HydrophobicContact CD-CH2 3.62Å; K8-W60 HydrophobicContact CD-CZ2 4.18Å; K8-W60 HydrophobicContact CD-CZ3 3.55Å; K8-W60 HydrophobicContact CG-CE3 3.66Å; K8-W60 HydrophobicContact CG-CH2 3.81Å; K8-W60 HydrophobicContact CG-CZ3 3.22Å; Y9-W60 VanDerWaalsContact O-CE3 3.29Å; Y9-W60 PolarHBondContact O-N 3.25Å; I10-W60 WeakPolarHBondContact CA-O 3.46Å; I10-W60 HydrophobicContact CG2-CB 4.32Å; I11-W60 PolarHBondContact N-O 3.27Å; V41-W60 HydrophobicContact CG1-CB 3.87Å; V41-W60 HydrophobicContact CG1-CG 4.22Å; E42-W60 CarbonylContact O-C 3.59Å; E42-W60 WeakPolarHBondContact O-CA 3.34Å; F43-W60 HydrophobicContact CD2-CD2 4.2Å; F43-W60 AromaticContact CD2-CE2 3.92Å; F43-W60 HydrophobicContact CD2-CZ2 4.2Å; F43-W60 HydrophobicContact CE2-CH2 4.13Å; F43-W60 AromaticContact CE2-CZ2 3.99Å; F43-W60 HydrophobicContact CE2-CZ2 3.99Å; F43-W60 HydrophobicContact CE2-CZ3 4.4Å; Q58-W60 VanDerWaalsContact C-CZ3 3.45Å; Q58-W60 HydrophobicContact CB-CE3 4.23Å; Q58-W60 HydrophobicContact CB-CH2 3.56Å; Q58-W60 HydrophobicContact CB-CZ3 3.27Å; Q58-W60 HydrophobicContact CG-CH2 4.41Å; Q58-W60 WeakPolarHBondContact O-CZ3 3.49Å; W60-Y75 AromaticContact CD1-CD1 3.32Å; W60-Y75 AromaticContact CD1-CE1 3.63Å; W60-Y75 HydrophobicContact CG-CD1 4.05Å; W60-Y75 AromaticContact NE1-CD1 3.74Å; W60-Y75 AromaticContact NE1-CE1 3.92Å |
| 61 | D | 92.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124 | 170.7 | 175.8 | 40.7 | 0 | 0 | 0 | 109.4 | K19 S20 L23 V41 E42 | K19-D61 WeakPolarHBondContact CB-OD1 3.31Å; S20-D61 VanDerWaalsContact CA-OD2 3.29Å; S20-D61 WeakPolarHBondContact CA-OD2 3.35Å; S20-D61 WeakPolarHBondContact CB-OD2 3.08Å; S20-D61 PolarHBondContact OG-OD2 2.97Å; L23-D61 HydrophobicContact CD2-CB 3.66Å; V41-D61 CarbonylContact C-O 3.46Å; V41-D61 VanDerWaalsContact CA-O 3.24Å; V41-D61 WeakPolarHBondContact CA-O 3.44Å; V41-D61 WeakPolarHBondContact CG1-O 3.32Å; E42-D61 HydrophobicContact CB-CB 4.25Å; E42-D61 PolarHBondContact N-O 2.97Å; E42-D61 PolarHBondContact O-N 3.11Å |
| 62 | T | 88.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.5 | -170.7 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | I11 I12 K19 V41 G64 T72 | I11-T62 WeakPolarHBondContact O-CB 3.42Å; I11-T62 PolarHBondContact O-N 2.92Å; I11-T62 PolarHBondContact O-OG1 3.48Å; I12-T62 HydrophobicContact CG2-CG2 4.45Å; K19-T62 WeakPolarHBondContact CE-O 3.4Å; V41-T62 HydrophobicContact CG2-CG2 4.38Å; T62-G64 PolarHBondContact O-N 2.87Å; T62-T72 HydrophobicContact CG2-CG2 4.24Å |
| 63 | A | 82.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -57.4 | 130.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | T38 G40 Q65 F68 T72 | T38-A63 VanDerWaalsContact O-CB 3.29Å; T38-A63 WeakPolarHBondContact O-CB 3.37Å; G40-A63 WeakPolarHBondContact O-CB 3.46Å; G40-A63 PolarHBondContact O-N 3.4Å; A63-Q65 VanDerWaalsContact C-N 3.31Å; A63-F68 HydrophobicContact CB-CB 3.77Å; A63-F68 HydrophobicContact CB-CD2 3.93Å; A63-F68 HydrophobicContact CB-CG 4.17Å; A63-T72 HydrophobicContact CB-CG2 4.37Å | ||
| 64 | G | 75 | Confident | 81.7 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | trans | -86.2 | 0.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G13 T15 K19 T62 | G13-G64 WeakPolarHBondContact O-CA 3.18Å; T15-G64 PolarHBondContact N-O 2.95Å; T15-G64 VanDerWaalsContact N-O 3.16Å; T15-G64 PolarHBondContact OG1-O 3.34Å; K19-G64 VanDerWaalsContact NZ-CA 3.29Å; T62-G64 PolarHBondContact O-N 2.87Å | ||
| 65 | Q | 74.3 | Confident | 81.1 | Confident | 83 Ų | 83 | 45.5 Ų | 45.5 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -89.8 | 135.3 | -176 | -166 | -179.2 | 12.1 | 0 | 0 | 109.9 | T15 A63 S67 F68 | T15-Q65 WeakPolarHBondContact OG1-CA 3.39Å; T15-Q65 PolarHBondContact OG1-N 2.94Å; T15-Q65 VanDerWaalsContact OG1-N 3.08Å; A63-Q65 VanDerWaalsContact C-N 3.31Å; Q65-S67 PolarHBondContact O-N 3.49Å; Q65-F68 HydrophobicContact CB-CD2 3.98Å; Q65-F68 PolarHBondContact O-N 2.92Å; Q65-F68 VanDerWaalsContact OE1-CE2 3.25Å |
| 66 | E | 65.2 | Low | 80.6 | Confident | 119 Ų | 119 | 45.5 Ų | 45.5 | 56% | 0.556 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -59 | -34.9 | -176 | -57.6 | -163.8 | 134.8 | 0 | 0 | 113.1 | F68 R69 | E66-F68 PolarHBondContact O-N 3.16Å; E66-R69 VanDerWaalsContact O-CB 3.32Å; E66-R69 WeakPolarHBondContact O-CB 3.19Å; E66-R69 PolarHBondContact O-N 2.82Å; E66-R69 IonicContact OE1-CZ 3.08Å; E66-R69 IonicContact OE1-NH1 3.37Å; E66-R69 PolarHBondContact OE1-NH1 3.48Å; E66-R69 IonicContact OE1-NH2 3.3Å; E66-R69 PolarHBondContact OE1-NH2 2.87Å |
| 67 | S | 63.5 | Low | 80 | Confident | 91 Ų | 91 | 51.4 Ų | 51.4 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -59.6 | -19.1 | 176.3 | -51.3 | 0 | 0 | 0 | 0 | 113.9 | Q65 | Q65-S67 PolarHBondContact O-N 3.49Š|
| 68 | F | 66.5 | Low | 79.4 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -105.6 | 4 | 177.5 | -61.8 | -57.7 | 0 | 0 | 0 | 113.4 | I39 A63 Q65 E66 S70 I71 T72 | I39-F68 HydrophobicContact CG2-CZ 4.42Å; A63-F68 HydrophobicContact CB-CB 3.77Å; A63-F68 HydrophobicContact CB-CD2 3.93Å; A63-F68 HydrophobicContact CB-CG 4.17Å; Q65-F68 HydrophobicContact CB-CD2 3.98Å; Q65-F68 PolarHBondContact O-N 2.92Å; Q65-F68 VanDerWaalsContact OE1-CE2 3.25Å; E66-F68 PolarHBondContact O-N 3.16Å; F68-S70 VanDerWaalsContact C-N 3.26Å; F68-S70 PolarHBondContact O-N 3.31Å; F68-I71 HydrophobicContact CD1-CD1 4.04Å; F68-I71 PolarHBondContact O-N 2.67Å; F68-T72 PolarHBondContact O-N 2.84Å; F68-T72 VanDerWaalsContact O-N 3.11Å; F68-T72 PolarHBondContact O-OG1 3.31Å |
| 69 | R | 68.2 | Low | 79.2 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.3 | -34.5 | -178.6 | -86.6 | -178.6 | 173.5 | 151.5 | 3.7 | 113.5 | E66 I71 T72 R73 W100 | E66-R69 VanDerWaalsContact O-CB 3.32Å; E66-R69 WeakPolarHBondContact O-CB 3.19Å; E66-R69 PolarHBondContact O-N 2.82Å; E66-R69 IonicContact OE1-CZ 3.08Å; E66-R69 IonicContact OE1-NH1 3.37Å; E66-R69 PolarHBondContact OE1-NH1 3.48Å; E66-R69 IonicContact OE1-NH2 3.3Å; E66-R69 PolarHBondContact OE1-NH2 2.87Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-I71 PolarHBondContact O-N 3.07Å; R69-T72 VanDerWaalsContact CA-OG1 3.31Å; R69-T72 WeakPolarHBondContact CA-OG1 3.33Å; R69-T72 PolarHBondContact O-N 2.99Å; R69-T72 PolarHBondContact O-OG1 3.14Å; R69-R73 WeakPolarHBondContact O-CG 3.41Å; R69-R73 PolarHBondContact O-N 3.36Å; R69-R73 VanDerWaalsContact O-N 3.16Å; R69-W100 HydrophobicContact CG-CH2 4.11Å; R69-W100 HydrophobicContact CG-CZ3 4.4Å |
| 70 | S | 66.9 | Low | 79.1 | Confident | 90 Ų | 90 | 49.7 Ų | 49.7 | 63% | 0.629 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.8 | -36.6 | 177.3 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | F68 | F68-S70 VanDerWaalsContact C-N 3.26Å; F68-S70 PolarHBondContact O-N 3.31Å |
| 71 | I | 68.1 | Low | 79.2 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 41% | 0.405 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -71.4 | -42.3 | 177.7 | -68 | 163.5 | 0 | 0 | 0 | 109.9 | F68 R69 R73 S74 Y75 | F68-I71 HydrophobicContact CD1-CD1 4.04Å; F68-I71 PolarHBondContact O-N 2.67Å; R69-I71 VanDerWaalsContact C-N 3.34Å; R69-I71 PolarHBondContact O-N 3.07Å; I71-R73 PolarHBondContact O-N 3.35Å; I71-S74 PolarHBondContact O-N 2.93Å; I71-S74 PolarHBondContact O-OG 3.06Å; I71-Y75 HydrophobicContact CG2-CE2 4.37Å; I71-Y75 WeakPolarHBondContact O-CD2 3.27Å |
| 72 | T | 71.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.9 | -33.7 | -177 | 52 | 0 | 0 | 0 | 0 | 112.8 | V41 T62 A63 F68 R69 S74 Y75 Y76 | V41-T72 HydrophobicContact CG2-CG2 4.48Å; T62-T72 HydrophobicContact CG2-CG2 4.24Å; A63-T72 HydrophobicContact CB-CG2 4.37Å; F68-T72 PolarHBondContact O-N 2.84Å; F68-T72 VanDerWaalsContact O-N 3.11Å; F68-T72 PolarHBondContact O-OG1 3.31Å; R69-T72 VanDerWaalsContact CA-OG1 3.31Å; R69-T72 WeakPolarHBondContact CA-OG1 3.33Å; R69-T72 PolarHBondContact O-N 2.99Å; R69-T72 PolarHBondContact O-OG1 3.14Å; T72-S74 PolarHBondContact O-N 3.04Å; T72-S74 VanDerWaalsContact O-N 3.16Å; T72-Y75 WeakPolarHBondContact O-CB 3.5Å; T72-Y75 PolarHBondContact O-N 2.97Å; T72-Y76 WeakPolarHBondContact O-CD1 3.24Å; T72-Y76 WeakPolarHBondContact O-CE1 3.38Å |
| 73 | R | 78.7 | Confident | 79.9 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -55.5 | -32.7 | 176.2 | -76.5 | 171.6 | -174.9 | -176 | -1.2 | 114 | R69 I71 Y75 Y76 D103 | R69-R73 WeakPolarHBondContact O-CG 3.41Å; R69-R73 PolarHBondContact O-N 3.36Å; R69-R73 VanDerWaalsContact O-N 3.16Å; I71-R73 PolarHBondContact O-N 3.35Å; R73-Y75 PolarHBondContact O-N 3.42Å; R73-Y75 VanDerWaalsContact O-N 3.17Å; R73-Y76 WeakPolarHBondContact O-CB 3.49Å; R73-Y76 PolarHBondContact O-N 3.13Å; R73-Y76 VanDerWaalsContact O-N 3.11Å; R73-D103 IonicContact CZ-OD1 2.8Å; R73-D103 IonicContact CZ-OD2 2.91Å; R73-D103 IonicContact NE-OD2 2.86Å; R73-D103 PolarHBondContact NE-OD2 3.08Å; R73-D103 IonicContact NH2-OD1 3.86Å; R73-D103 PolarHBondContact NH2-OD1 3.12Å; R73-D103 VanDerWaalsContact NH2-OD1 3.08Å; R73-D103 IonicContact NH2-OD2 3.52Å; R73-D103 PolarHBondContact NH2-OD2 3.2Å |
| 74 | S | 81.1 | Confident | 80.6 | Confident | 81 Ų | 81 | 47.8 Ų | 47.8 | 57% | 0.566 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.1 | -25.1 | 176.7 | 70.3 | 0 | 0 | 0 | 0 | 113.2 | I71 T72 | I71-S74 PolarHBondContact O-N 2.93Å; I71-S74 PolarHBondContact O-OG 3.06Å; T72-S74 PolarHBondContact O-N 3.04Å; T72-S74 VanDerWaalsContact O-N 3.16Å |
| 75 | Y | 83.9 | Confident | 81.7 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -86.3 | -13.9 | 179.7 | -64 | -90.7 | 0 | 0 | 0 | 113.5 | K8 V41 W60 I71 T72 R73 R77 | K8-Y75 WeakPolarHBondContact CE-O 3.48Å; K8-Y75 PolarHBondContact NZ-O 3.07Å; V41-Y75 HydrophobicContact CB-CD2 4.49Å; V41-Y75 HydrophobicContact CB-CE1 4.23Å; V41-Y75 HydrophobicContact CB-CE2 4.06Å; V41-Y75 HydrophobicContact CG1-CD1 4.12Å; V41-Y75 HydrophobicContact CG1-CE1 3.98Å; V41-Y75 HydrophobicContact CG1-CG 4.43Å; V41-Y75 HydrophobicContact CG2-CD1 4.46Å; V41-Y75 HydrophobicContact CG2-CD2 3.57Å; V41-Y75 HydrophobicContact CG2-CE1 4.3Å; V41-Y75 HydrophobicContact CG2-CE2 3.38Å; V41-Y75 HydrophobicContact CG2-CG 4.11Å; W60-Y75 AromaticContact CD1-CD1 3.32Å; W60-Y75 AromaticContact CD1-CE1 3.63Å; W60-Y75 HydrophobicContact CG-CD1 4.05Å; W60-Y75 AromaticContact NE1-CD1 3.74Å; W60-Y75 AromaticContact NE1-CE1 3.92Å; I71-Y75 HydrophobicContact CG2-CE2 4.37Å; I71-Y75 WeakPolarHBondContact O-CD2 3.27Å; T72-Y75 WeakPolarHBondContact O-CB 3.5Å; T72-Y75 PolarHBondContact O-N 2.97Å; R73-Y75 PolarHBondContact O-N 3.42Å; R73-Y75 VanDerWaalsContact O-N 3.17Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.04Å |
| 76 | Y | 85.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.6 | -32.7 | -177.8 | -70.9 | 29.5 | 0 | 0 | 0 | 110.9 | I10 I12 T72 R73 G78 A79 W100 D103 A104 H107 | I10-Y76 HydrophobicContact CD1-CD1 3.82Å; I10-Y76 HydrophobicContact CD1-CD2 4.38Å; I10-Y76 HydrophobicContact CD1-CE1 4.16Å; I10-Y76 HydrophobicContact CD1-CG 3.93Å; I12-Y76 HydrophobicContact CG2-CE1 3.89Å; I12-Y76 WeakPolarHBondContact CG2-OH 3.45Å; T72-Y76 WeakPolarHBondContact O-CD1 3.24Å; T72-Y76 WeakPolarHBondContact O-CE1 3.38Å; R73-Y76 WeakPolarHBondContact O-CB 3.49Å; R73-Y76 PolarHBondContact O-N 3.13Å; R73-Y76 VanDerWaalsContact O-N 3.11Å; Y76-G78 PolarHBondContact O-N 3.21Å; Y76-A79 WeakPolarHBondContact O-CB 3.39Å; Y76-A79 PolarHBondContact O-N 3.48Å; Y76-A79 VanDerWaalsContact O-N 3.07Å; Y76-W100 WeakPolarHBondContact OH-CZ3 3.24Å; Y76-D103 HydrophobicContact CE2-CB 4.29Å; Y76-A104 HydrophobicContact CD2-CB 4.47Å; Y76-A104 HydrophobicContact CE2-CB 4.22Å; Y76-H107 HydrophobicContact CD2-CB 4.02Å; Y76-H107 HydrophobicContact CG-CB 4.35Å |
| 77 | R | 84.4 | Confident | 84.5 | Confident | 187 Ų | 187 | 37.9 Ų | 37.9 | 71% | 0.706 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 124.4 | 178.6 | -174.1 | 179.2 | 175.9 | 95.8 | 0.6 | 110.5 | K8 Y75 A79 H107 | K8-R77 PolarHBondContact NZ-O 2.99Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.04Å; R77-A79 VanDerWaalsContact C-N 3.33Å; R77-H107 PolarHBondContact N-O 3.16Å |
| 78 | G | 83.8 | Confident | 86.1 | Confident | 9 Ų | 9 | 33.5 Ų | 33.5 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 32.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K8 Y76 A182 G184 | K8-G78 VanDerWaalsContact CD-O 3.23Å; K8-G78 WeakPolarHBondContact CD-O 3.5Å; K8-G78 WeakPolarHBondContact CG-O 3.43Å; Y76-G78 PolarHBondContact O-N 3.21Å; G78-A182 VanDerWaalsContact CA-O 3.24Å; G78-A182 WeakPolarHBondContact CA-O 3.22Å; G78-G184 WeakPolarHBondContact O-CA 3.5Å; G78-G184 PolarHBondContact O-N 2.94Å |
| 79 | A | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -82 | 129.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K8 I10 Y76 R77 M112 | K8-A79 HydrophobicContact CG-CB 4.44Å; I10-A79 HydrophobicContact CD1-CB 4.25Å; I10-A79 HydrophobicContact CG1-CB 4.19Å; I10-A79 HydrophobicContact CG2-CB 4.1Å; Y76-A79 WeakPolarHBondContact O-CB 3.39Å; Y76-A79 PolarHBondContact O-N 3.48Å; Y76-A79 VanDerWaalsContact O-N 3.07Å; R77-A79 VanDerWaalsContact C-N 3.33Å; A79-M112 HydrophobicContact CB-SD 3.69Å | ||
| 80 | A | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -84.9 | -32.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | K8 V113 I167 N183 I185 | K8-A80 PolarHBondContact O-N 3Å; A80-V113 PolarHBondContact O-N 3.11Å; A80-I167 HydrophobicContact CB-CD1 4.06Å; A80-I167 HydrophobicContact CB-CG2 4.25Å; A80-I167 WeakPolarHBondContact O-CD1 3.33Å; A80-N183 WeakPolarHBondContact CB-O 3.12Å; A80-I185 HydrophobicContact CB-CD1 4.45Å; A80-I185 HydrophobicContact CB-CG1 3.84Å |
| 81 | G | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 149.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K8 Y9 I10 V113 | K8-G81 PolarHBondContact O-N 2.99Å; Y9-G81 VanDerWaalsContact CA-O 3.27Å; Y9-G81 WeakPolarHBondContact CA-O 3.17Å; I10-G81 PolarHBondContact N-O 3.43Å; I10-G81 VanDerWaalsContact N-O 3.1Å; G81-V113 CarbonylContact C-O 3.4Å; G81-V113 WeakPolarHBondContact CA-O 3.21Å |
| 82 | A | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I10 M112 V113 I114 M115 | I10-A82 HydrophobicContact CD1-CB 4.16Å; I10-A82 HydrophobicContact CG1-CB 3.67Å; I10-A82 CarbonylContact O-C 3.56Å; I10-A82 WeakPolarHBondContact O-CA 2.97Å; A82-M112 HydrophobicContact CB-CE 3.8Å; A82-M112 HydrophobicContact CB-SD 3.89Å; A82-V113 PolarHBondContact N-O 3.05Å; A82-I114 HydrophobicContact CB-CG1 4.26Å; A82-I114 HydrophobicContact CB-CG2 4.46Å; A82-I114 WeakPolarHBondContact O-CA 3.35Å; A82-M115 PolarHBondContact O-N 2.87Å |
| 83 | L | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 109.1 | 167.3 | -56.2 | -171.8 | 0 | 0 | 0 | 107.8 | I10 I11 I12 V85 M115 I117 F160 T163 | I10-L83 PolarHBondContact O-N 3.41Å; I11-L83 WeakPolarHBondContact CA-O 3.44Å; I11-L83 HydrophobicContact CD1-CD1 4.46Å; I11-L83 HydrophobicContact CG1-CB 4.38Å; I11-L83 HydrophobicContact CG1-CD1 4.32Å; I11-L83 HydrophobicContact CG2-CB 4.12Å; I12-L83 PolarHBondContact N-O 3.11Å; L83-V85 HydrophobicContact CB-CG2 4.44Å; L83-M115 WeakPolarHBondContact CA-O 3.42Å; L83-M115 HydrophobicContact CD2-CB 3.72Å; L83-M115 HydrophobicContact CD2-CG 4.1Å; L83-I117 HydrophobicContact CB-CD1 4.01Å; L83-I117 HydrophobicContact CD1-CD1 4.02Å; L83-I117 HydrophobicContact CD2-CD1 4.16Å; L83-I117 HydrophobicContact CG-CD1 4.28Å; L83-F160 HydrophobicContact CD1-CD1 3.79Å; L83-F160 HydrophobicContact CD1-CD2 3.99Å; L83-F160 HydrophobicContact CD1-CE1 3.39Å; L83-F160 HydrophobicContact CD1-CE2 3.67Å; L83-F160 HydrophobicContact CD1-CG 4.09Å; L83-F160 HydrophobicContact CD1-CZ 3.35Å; L83-T163 HydrophobicContact CD2-CG2 4.37Å |
| 84 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 110.4 | 178.8 | 174.9 | 60.6 | 0 | 0 | 0 | 108.7 | I12 L97 W100 L101 I114 M115 L116 I117 L143 | I12-L84 HydrophobicContact CD1-CD1 3.98Å; I12-L84 HydrophobicContact CG1-CB 4.3Å; I12-L84 HydrophobicContact CG1-CD1 3.84Å; L84-L97 HydrophobicContact CD1-CD2 3.8Å; L84-L97 HydrophobicContact CD2-CD2 3.81Å; L84-L97 HydrophobicContact CG-CD2 3.55Å; L84-W100 HydrophobicContact CD1-CB 3.53Å; L84-W100 HydrophobicContact CD1-CG 4.27Å; L84-L101 HydrophobicContact CD2-CB 4.15Å; L84-L101 HydrophobicContact CD2-CD1 4.46Å; L84-I114 HydrophobicContact CB-CG2 4.04Å; L84-M115 PolarHBondContact N-O 2.89Å; L84-L116 HydrophobicContact CD2-CD1 4.18Å; L84-L116 HydrophobicContact CG-CD1 4.11Å; L84-L116 CarbonylContact O-C 3.59Å; L84-L116 WeakPolarHBondContact O-CA 3.5Å; L84-I117 PolarHBondContact O-N 3.03Å; L84-L143 HydrophobicContact CD2-CD1 4.5Å |
| 85 | V | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.7 | -165.8 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | I11 I12 V17 K19 L22 L83 I117 N119 | I11-V85 HydrophobicContact CG2-CG2 3.64Å; I12-V85 PolarHBondContact O-N 3.41Å; 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 4.2Å; K19-V85 HydrophobicContact CG-CG2 4.22Å; L22-V85 HydrophobicContact CD1-CG1 3.84Å; L22-V85 HydrophobicContact CD1-CG2 4.06Å; L83-V85 HydrophobicContact CB-CG2 4.44Å; V85-I117 WeakPolarHBondContact CA-O 3.37Å; V85-I117 HydrophobicContact CG1-CB 4.33Å; V85-I117 HydrophobicContact CG1-CG2 4.22Å; V85-I117 HydrophobicContact CG2-CB 4.25Å; V85-I117 HydrophobicContact CG2-CD1 4.5Å; V85-N119 HydrophobicContact CG1-CB 3.81Å |
| 86 | Y | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 168.6 | 165.5 | 73.3 | -82.5 | 0 | 0 | 0 | 111.1 | I88 F94 L97 L116 I117 G118 N119 V129 F145 | Y86-I88 HydrophobicContact CE2-CG2 3.87Å; Y86-F94 HydrophobicContact CD1-CD2 4.14Å; Y86-F94 HydrophobicContact CD2-CB 4.03Å; Y86-F94 AromaticContact CD2-CD2 3.84Å; Y86-F94 HydrophobicContact CD2-CD2 3.84Å; Y86-F94 HydrophobicContact CD2-CG 4.44Å; Y86-F94 HydrophobicContact CE1-CD2 4.01Å; Y86-F94 HydrophobicContact CE1-CE2 4.32Å; Y86-F94 AromaticContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CE2 4.49Å; Y86-F94 HydrophobicContact CG-CB 4.41Å; Y86-F94 HydrophobicContact CG-CD2 4.05Å; Y86-F94 AromaticContact CZ-CD2 3.81Å; Y86-L97 HydrophobicContact CD1-CD1 3.9Å; Y86-L97 HydrophobicContact CD1-CD2 4.3Å; Y86-L97 HydrophobicContact CE1-CD1 4.44Å; Y86-L97 HydrophobicContact CG-CD1 4.28Å; Y86-L116 HydrophobicContact CD1-CD1 3.85Å; Y86-L116 HydrophobicContact CD1-CG 4.39Å; Y86-L116 HydrophobicContact CE1-CD1 4.04Å; Y86-L116 HydrophobicContact CE1-CD2 4.33Å; Y86-L116 HydrophobicContact CE1-CG 4.08Å; Y86-I117 VanDerWaalsContact CD1-O 3.26Å; Y86-I117 WeakPolarHBondContact CD1-O 3.42Å; Y86-I117 PolarHBondContact N-O 2.86Å; Y86-G118 VanDerWaalsContact CZ-CA 3.4Å; Y86-N119 PolarHBondContact O-N 3.07Å; Y86-V129 HydrophobicContact CD2-CG2 4.45Å; Y86-V129 HydrophobicContact CE2-CB 3.95Å; Y86-V129 HydrophobicContact CE2-CG1 3.75Å; Y86-V129 HydrophobicContact CE2-CG2 4.2Å; Y86-F145 HydrophobicContact CE1-CE2 4.16Å |
| 87 | D | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.6 | 177.8 | -177.9 | -11 | 0 | 0 | 0 | 109.5 | V17 T89 R90 T93 K120 | V17-D87 HydrophobicContact CB-CB 4.29Å; V17-D87 HydrophobicContact CG1-CB 4.11Å; D87-T89 PolarHBondContact O-N 2.71Å; D87-T89 VanDerWaalsContact O-N 3.07Å; D87-T89 PolarHBondContact OD1-N 3.43Å; D87-T89 PolarHBondContact OD1-OG1 2.84Å; D87-T89 VanDerWaalsContact OD1-OG1 3.11Å; D87-R90 HydrophobicContact CB-CB 4.19Å; D87-R90 PolarHBondContact O-N 2.9Å; D87-R90 IonicContact OD2-CZ 3.73Å; D87-R90 IonicContact OD2-NE 2.78Å; D87-R90 PolarHBondContact OD2-NE 3.3Å; D87-R90 IonicContact OD2-NH2 2.71Å; D87-T93 HydrophobicContact CB-CG2 4.37Å; D87-T93 PolarHBondContact N-OG1 2.78Å; D87-T93 PolarHBondContact O-OG1 3.29Å; D87-K120 WeakPolarHBondContact OD1-CD 3.4Å; D87-K120 VanDerWaalsContact OD2-CE 3.3Å; D87-K120 WeakPolarHBondContact OD2-CE 3.33Å; D87-K120 IonicContact OD2-NZ 3.64Å; D87-K120 PolarHBondContact OD2-NZ 3.43Å |
| 88 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -18.4 | -176.8 | 67 | 155.3 | 0 | 0 | 0 | 113.1 | Y86 N119 K120 R127 E128 V129 | Y86-I88 HydrophobicContact CE2-CG2 3.87Å; I88-N119 WeakPolarHBondContact CG1-O 3.4Å; I88-N119 PolarHBondContact N-O 3.36Å; I88-N119 VanDerWaalsContact N-O 3.08Å; I88-K120 WeakPolarHBondContact CD1-O 3.28Å; I88-R127 HydrophobicContact CD1-CG 4.49Å; I88-E128 PolarHBondContact O-N 3.16Å; I88-V129 PolarHBondContact O-N 3.24Å; I88-V129 VanDerWaalsContact O-N 3.09Å |
| 89 | T | 98.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 27.3 Ų | 27.3 | 13% | 0.129 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.5 | 178.9 | 83.7 | 0 | 0 | 0 | 0 | 112.9 | D87 L123 R126 E128 | D87-T89 PolarHBondContact O-N 2.71Å; D87-T89 VanDerWaalsContact O-N 3.07Å; D87-T89 PolarHBondContact OD1-N 3.43Å; D87-T89 PolarHBondContact OD1-OG1 2.84Å; D87-T89 VanDerWaalsContact OD1-OG1 3.11Å; T89-L123 HydrophobicContact CG2-CB 3.59Å; T89-L123 HydrophobicContact CG2-CD1 4.11Å; T89-R126 WeakPolarHBondContact CA-O 3.37Å; T89-R126 VanDerWaalsContact CB-O 3.24Å; T89-R126 WeakPolarHBondContact CB-O 3.48Å; T89-R126 HydrophobicContact CG2-CB 3.92Å; T89-E128 VanDerWaalsContact O-CD 3.27Å |
| 90 | R | 98.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 27.4 Ų | 27.4 | 33% | 0.332 | 14% | 0.137 | S | C | . | . | trans | -140.1 | 99.8 | 179.1 | -65 | -167.6 | -63.4 | 143.9 | -0.4 | 111.2 | T15 G16 D87 D92 T93 E128 | T15-R90 PolarHBondContact O-NH2 3.1Å; G16-R90 VanDerWaalsContact C-NH2 3.33Å; D87-R90 HydrophobicContact CB-CB 4.19Å; D87-R90 PolarHBondContact O-N 2.9Å; D87-R90 IonicContact OD2-CZ 3.73Å; D87-R90 IonicContact OD2-NE 2.78Å; D87-R90 PolarHBondContact OD2-NE 3.3Å; D87-R90 IonicContact OD2-NH2 2.71Å; R90-D92 VanDerWaalsContact C-N 3.28Å; R90-D92 PolarHBondContact O-N 2.9Å; R90-T93 HydrophobicContact CB-CG2 3.91Å; R90-T93 PolarHBondContact O-N 3.43Å; R90-T93 VanDerWaalsContact O-N 3.13Å; R90-T93 PolarHBondContact O-OG1 2.94Å; R90-E128 WeakPolarHBondContact CA-OE2 3.31Å | ||
| 91 | R | 98.3 | Very high | 97.3 | Very high | 61 Ų | 61 | 27.6 Ų | 27.6 | 23% | 0.23 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53.7 | -39.9 | -178.2 | 177.6 | 55.2 | 64.2 | 164.2 | 11 | 113.7 | T93 F94 N95 E128 E133 | R91-T93 PolarHBondContact O-N 2.82Å; R91-F94 WeakPolarHBondContact O-CB 3.43Å; R91-F94 PolarHBondContact O-N 3.44Å; R91-N95 PolarHBondContact O-N 3.38Å; R91-E128 HydrophobicContact CB-CB 4.32Å; R91-E128 WeakPolarHBondContact CB-OE2 3.32Å; R91-E128 PolarHBondContact N-OE2 2.76Å; R91-E128 PolarHBondContact NE-O 3.24Å; R91-E128 PolarHBondContact NH2-O 2.94Å; R91-E133 IonicContact CZ-OE1 3.5Å; R91-E133 VanDerWaalsContact CZ-OE1 3.27Å; R91-E133 IonicContact CZ-OE2 2.68Å; R91-E133 IonicContact NH1-OE1 3.22Å; R91-E133 PolarHBondContact NH1-OE1 3.01Å; R91-E133 IonicContact NH1-OE2 3.55Å; R91-E133 VanDerWaalsContact NH2-CD 3.27Å; R91-E133 IonicContact NH2-OE1 2.69Å; R91-E133 PolarHBondContact NH2-OE1 2.97Å; R91-E133 IonicContact NH2-OE2 2.63Å; R91-E133 PolarHBondContact NH2-OE2 3.18Å |
| 92 | D | 97.9 | Very high | 97.1 | Very high | 111 Ų | 111 | 33 Ų | 33 | 59% | 0.594 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -58.5 | -37.4 | -178.6 | -64.7 | -29.7 | 0 | 0 | 0 | 112.5 | R90 F94 N95 H96 | R90-D92 VanDerWaalsContact C-N 3.28Å; R90-D92 PolarHBondContact O-N 2.9Å; D92-F94 PolarHBondContact O-N 2.9Å; D92-N95 PolarHBondContact O-N 2.83Å; D92-N95 VanDerWaalsContact O-N 3.11Å; D92-H96 VanDerWaalsContact O-CG 3.28Å; D92-H96 PolarHBondContact O-N 3.1Å; D92-H96 PolarHBondContact O-ND1 3.15Å |
| 93 | T | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.9 | -26.2 | 179.2 | 70.3 | 0 | 0 | 0 | 0 | 113 | D14 V17 D87 R90 R91 | D14-T93 HydrophobicContact CB-CG2 3.96Å; V17-T93 HydrophobicContact CG1-CG2 3.83Å; D87-T93 HydrophobicContact CB-CG2 4.37Å; D87-T93 PolarHBondContact N-OG1 2.78Å; D87-T93 PolarHBondContact O-OG1 3.29Å; R90-T93 HydrophobicContact CB-CG2 3.91Å; R90-T93 PolarHBondContact O-N 3.43Å; R90-T93 VanDerWaalsContact O-N 3.13Å; R90-T93 PolarHBondContact O-OG1 2.94Å; R91-T93 PolarHBondContact O-N 2.82Å |
| 94 | F | 98.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 10% | 0.096 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -77.2 | -41.5 | 172.4 | -177.6 | -91.6 | 0 | 0 | 0 | 111 | Y86 R91 D92 H96 L97 V129 E133 F137 | Y86-F94 HydrophobicContact CD1-CD2 4.14Å; Y86-F94 HydrophobicContact CD2-CB 4.03Å; Y86-F94 AromaticContact CD2-CD2 3.84Å; Y86-F94 HydrophobicContact CD2-CD2 3.84Å; Y86-F94 HydrophobicContact CD2-CG 4.44Å; Y86-F94 HydrophobicContact CE1-CD2 4.01Å; Y86-F94 HydrophobicContact CE1-CE2 4.32Å; Y86-F94 AromaticContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CD2 3.73Å; Y86-F94 HydrophobicContact CE2-CE2 4.49Å; Y86-F94 HydrophobicContact CG-CB 4.41Å; Y86-F94 HydrophobicContact CG-CD2 4.05Å; Y86-F94 AromaticContact CZ-CD2 3.81Å; R91-F94 WeakPolarHBondContact O-CB 3.43Å; R91-F94 PolarHBondContact O-N 3.44Å; D92-F94 PolarHBondContact O-N 2.9Å; F94-H96 PolarHBondContact O-N 2.78Å; F94-L97 HydrophobicContact CB-CD1 4.42Å; F94-L97 HydrophobicContact CD2-CD1 3.36Å; F94-L97 HydrophobicContact CE2-CD1 3.66Å; F94-L97 HydrophobicContact CG-CD1 3.92Å; F94-L97 HydrophobicContact CZ-CD1 4.41Å; F94-L97 WeakPolarHBondContact O-CB 3.33Å; F94-L97 WeakPolarHBondContact O-CD1 3.29Å; F94-L97 WeakPolarHBondContact O-CG 3.37Å; F94-L97 PolarHBondContact O-N 3.45Å; F94-V129 HydrophobicContact CB-CG1 4.45Å; F94-V129 HydrophobicContact CB-CG2 3.79Å; F94-V129 HydrophobicContact CD1-CG1 4.47Å; F94-V129 HydrophobicContact CD2-CG1 3.66Å; F94-V129 HydrophobicContact CD2-CG2 4.49Å; F94-V129 HydrophobicContact CE2-CG1 3.94Å; F94-V129 HydrophobicContact CG-CG1 3.94Å; F94-V129 HydrophobicContact CG-CG2 4.15Å; F94-V129 HydrophobicContact CZ-CG1 4.46Å; F94-E133 HydrophobicContact CZ-CB 4.12Å; F94-F137 HydrophobicContact CE2-CB 4.43Å; F94-F137 HydrophobicContact CZ-CB 3.99Å; F94-F137 HydrophobicContact CZ-CD2 4.42Å; F94-F137 HydrophobicContact CZ-CG 4.37Å |
| 95 | N | 97.8 | Very high | 96 | Very high | 86 Ų | 86 | 39.5 Ų | 39.5 | 46% | 0.46 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.8 | -31.1 | 178 | -64.3 | -18.2 | 0 | 0 | 0 | 112.3 | R91 D92 L97 T98 | R91-N95 PolarHBondContact O-N 3.38Å; D92-N95 PolarHBondContact O-N 2.83Å; D92-N95 VanDerWaalsContact O-N 3.11Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 3.43Å; N95-T98 PolarHBondContact O-OG1 2.89Å |
| 96 | H | 96.9 | Very high | 95.6 | Very high | 68 Ų | 68 | 46 Ų | 46 | 32% | 0.315 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -4 | 176.7 | -59.1 | 150.5 | 0 | 0 | 0 | 114.5 | D14 D92 F94 T98 T99 W100 | D14-H96 IonicContact OD1-ND1 2.95Å; D14-H96 IonicContact OD2-CE1 3.41Å; D14-H96 IonicContact OD2-CG 3.66Å; D14-H96 IonicContact OD2-ND1 2.73Å; D14-H96 PolarHBondContact OD2-ND1 3.49Å; D92-H96 VanDerWaalsContact O-CG 3.28Å; D92-H96 PolarHBondContact O-N 3.1Å; D92-H96 PolarHBondContact O-ND1 3.15Å; F94-H96 PolarHBondContact O-N 2.78Å; H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 3.42Å; H96-T99 PolarHBondContact O-N 3.12Å; H96-W100 VanDerWaalsContact O-CD1 3.26Å; H96-W100 PolarHBondContact O-N 2.93Å; H96-W100 VanDerWaalsContact O-N 3.16Å |
| 97 | L | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.2 | -36.2 | -179.4 | -73.8 | 171.5 | 0 | 0 | 0 | 112.7 | L84 Y86 F94 N95 W100 L101 L116 F137 | L84-L97 HydrophobicContact CD1-CD2 3.8Å; L84-L97 HydrophobicContact CD2-CD2 3.81Å; L84-L97 HydrophobicContact CG-CD2 3.55Å; Y86-L97 HydrophobicContact CD1-CD1 3.9Å; Y86-L97 HydrophobicContact CD1-CD2 4.3Å; Y86-L97 HydrophobicContact CE1-CD1 4.44Å; Y86-L97 HydrophobicContact CG-CD1 4.28Å; F94-L97 HydrophobicContact CB-CD1 4.42Å; F94-L97 HydrophobicContact CD2-CD1 3.36Å; F94-L97 HydrophobicContact CE2-CD1 3.66Å; F94-L97 HydrophobicContact CG-CD1 3.92Å; F94-L97 HydrophobicContact CZ-CD1 4.41Å; F94-L97 WeakPolarHBondContact O-CB 3.33Å; F94-L97 WeakPolarHBondContact O-CD1 3.29Å; F94-L97 WeakPolarHBondContact O-CG 3.37Å; F94-L97 PolarHBondContact O-N 3.45Å; N95-L97 VanDerWaalsContact C-N 3.28Å; N95-L97 PolarHBondContact O-N 3.43Å; L97-W100 PolarHBondContact O-N 3.24Å; L97-L101 WeakPolarHBondContact O-CB 3.42Å; L97-L101 PolarHBondContact O-N 3.5Å; L97-L116 HydrophobicContact CD1-CD1 3.71Å; L97-L116 HydrophobicContact CD2-CD1 3.61Å; L97-L116 HydrophobicContact CG-CD1 4.31Å; L97-F137 HydrophobicContact CB-CE1 4Å; L97-F137 HydrophobicContact CB-CE2 4.06Å; L97-F137 HydrophobicContact CB-CZ 3.56Å; L97-F137 HydrophobicContact CD1-CD1 4.39Å; L97-F137 HydrophobicContact CD1-CE1 4.28Å; L97-F137 HydrophobicContact CD1-CZ 4.44Å |
| 98 | T | 95.4 | Very high | 94.3 | Very high | 59 Ų | 59 | 50.2 Ų | 50.2 | 36% | 0.362 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.3 | -49.1 | 177.6 | 48.4 | 0 | 0 | 0 | 0 | 111 | N95 H96 W100 L101 E102 F137 | N95-T98 PolarHBondContact O-OG1 2.89Å; H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 3.42Å; T98-W100 PolarHBondContact O-N 3.08Å; T98-L101 PolarHBondContact O-N 2.79Å; T98-E102 WeakPolarHBondContact O-CB 3.44Å; T98-E102 VanDerWaalsContact O-CG 3.3Å; T98-E102 WeakPolarHBondContact O-CG 3.2Å; T98-E102 PolarHBondContact O-N 3.28Å; T98-F137 HydrophobicContact CG2-CE2 3.85Å; T98-F137 HydrophobicContact CG2-CZ 4.32Å |
| 99 | T | 93.5 | Very high | 93.4 | Very high | 54 Ų | 54 | 52 Ų | 52 | 33% | 0.331 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 177.6 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | H96 D103 | H96-T99 PolarHBondContact O-N 3.12Å; T99-D103 WeakPolarHBondContact O-CB 3.45Å; T99-D103 PolarHBondContact O-N 2.79Å |
| 100 | W | 93.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.4 | -77.4 | 110.7 | 0 | 0 | 0 | 112.7 | I12 G13 D14 R69 Y76 L84 H96 L97 T98 A104 | I12-W100 HydrophobicContact CB-CE3 4.11Å; I12-W100 HydrophobicContact CB-CZ3 4.44Å; G13-W100 WeakPolarHBondContact O-CZ2 3.34Å; D14-W100 PolarHBondContact OD1-NE1 3.11Å; R69-W100 HydrophobicContact CG-CH2 4.11Å; R69-W100 HydrophobicContact CG-CZ3 4.4Å; Y76-W100 WeakPolarHBondContact OH-CZ3 3.24Å; L84-W100 HydrophobicContact CD1-CB 3.53Å; L84-W100 HydrophobicContact CD1-CG 4.27Å; H96-W100 VanDerWaalsContact O-CD1 3.26Å; H96-W100 PolarHBondContact O-N 2.93Å; H96-W100 VanDerWaalsContact O-N 3.16Å; L97-W100 PolarHBondContact O-N 3.24Å; T98-W100 PolarHBondContact O-N 3.08Å; W100-A104 VanDerWaalsContact O-CB 3.29Å; W100-A104 WeakPolarHBondContact O-CB 2.85Å; W100-A104 PolarHBondContact O-N 3.08Å |
| 101 | L | 94.5 | Very high | 91.9 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 178.9 | 179.5 | 63.1 | 0 | 0 | 0 | 111.8 | L84 L97 T98 A104 R105 I114 F137 H141 L143 | L84-L101 HydrophobicContact CD2-CB 4.15Å; L84-L101 HydrophobicContact CD2-CD1 4.46Å; L97-L101 WeakPolarHBondContact O-CB 3.42Å; L97-L101 PolarHBondContact O-N 3.5Å; T98-L101 PolarHBondContact O-N 2.79Å; L101-A104 WeakPolarHBondContact O-CB 3.41Å; L101-A104 PolarHBondContact O-N 3.33Å; L101-R105 HydrophobicContact CD1-CG 4.42Å; L101-R105 WeakPolarHBondContact O-CB 3.44Å; L101-R105 WeakPolarHBondContact O-CG 3.45Å; L101-R105 PolarHBondContact O-N 3.2Å; L101-I114 HydrophobicContact CD1-CD1 3.6Å; L101-F137 HydrophobicContact CD2-CE1 4.29Å; L101-F137 HydrophobicContact CD2-CZ 4.25Å; L101-H141 HydrophobicContact CD2-CB 3.71Å; L101-L143 HydrophobicContact CD1-CD1 4.37Å; L101-L143 HydrophobicContact CD1-CD2 3.9Å; L101-L143 HydrophobicContact CD2-CD1 4.27Å; L101-L143 HydrophobicContact CD2-CD2 4.49Å |
| 102 | E | 92.5 | Very high | 91.6 | Very high | 115 Ų | 115 | 52 Ų | 52 | 54% | 0.537 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 174.9 | -75.2 | 174.3 | -178 | 0 | 0 | 111 | T98 A104 R105 Q106 | T98-E102 WeakPolarHBondContact O-CB 3.44Å; T98-E102 VanDerWaalsContact O-CG 3.3Å; T98-E102 WeakPolarHBondContact O-CG 3.2Å; T98-E102 PolarHBondContact O-N 3.28Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 3Å; E102-R105 PolarHBondContact O-N 3.45Å; E102-Q106 WeakPolarHBondContact O-CB 3.42Å; E102-Q106 VanDerWaalsContact O-CG 3.28Å; E102-Q106 WeakPolarHBondContact O-CG 3.46Å; E102-Q106 PolarHBondContact O-N 2.89Å |
| 103 | D | 89.6 | Confident | 91.6 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 176.2 | -95.7 | 9.6 | 0 | 0 | 0 | 111.1 | R73 Y76 T99 H107 | R73-D103 IonicContact CZ-OD1 2.8Å; R73-D103 IonicContact CZ-OD2 2.91Å; R73-D103 IonicContact NE-OD2 2.86Å; R73-D103 PolarHBondContact NE-OD2 3.08Å; R73-D103 IonicContact NH2-OD1 3.86Å; R73-D103 PolarHBondContact NH2-OD1 3.12Å; R73-D103 VanDerWaalsContact NH2-OD1 3.08Å; R73-D103 IonicContact NH2-OD2 3.52Å; R73-D103 PolarHBondContact NH2-OD2 3.2Å; Y76-D103 HydrophobicContact CE2-CB 4.29Å; T99-D103 WeakPolarHBondContact O-CB 3.45Å; T99-D103 PolarHBondContact O-N 2.79Å; D103-H107 PolarHBondContact O-N 2.75Å; D103-H107 PolarHBondContact O-ND1 2.77Å |
| 104 | A | 90.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -53.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I12 Y76 W100 L101 E102 Q106 H107 S108 M112 | I12-A104 HydrophobicContact CD1-CB 3.77Å; Y76-A104 HydrophobicContact CD2-CB 4.47Å; Y76-A104 HydrophobicContact CE2-CB 4.22Å; W100-A104 VanDerWaalsContact O-CB 3.29Å; W100-A104 WeakPolarHBondContact O-CB 2.85Å; W100-A104 PolarHBondContact O-N 3.08Å; L101-A104 WeakPolarHBondContact O-CB 3.41Å; L101-A104 PolarHBondContact O-N 3.33Å; E102-A104 VanDerWaalsContact C-N 3.29Å; E102-A104 PolarHBondContact O-N 3Å; A104-Q106 PolarHBondContact O-N 2.83Å; A104-H107 PolarHBondContact O-N 2.78Å; A104-S108 WeakPolarHBondContact O-CB 3.16Å; A104-S108 PolarHBondContact O-N 2.62Å; A104-S108 PolarHBondContact O-OG 3.3Å; A104-M112 HydrophobicContact CB-CE 3.98Å |
| 105 | R | 90.6 | Very high | 91.5 | Very high | 120 Ų | 120 | 46.5 Ų | 46.5 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.6 | -33.8 | -177.6 | -73.9 | 178.2 | 169.5 | 179.8 | -3 | 113.8 | L101 E102 H107 H141 | L101-R105 HydrophobicContact CD1-CG 4.42Å; L101-R105 WeakPolarHBondContact O-CB 3.44Å; L101-R105 WeakPolarHBondContact O-CG 3.45Å; L101-R105 PolarHBondContact O-N 3.2Å; E102-R105 PolarHBondContact O-N 3.45Å; R105-H107 VanDerWaalsContact C-N 3.31Å; R105-H141 PolarHBondContact NH2-O 2.99Å |
| 106 | Q | 89.4 | Confident | 91.6 | Very high | 137 Ų | 137 | 42.4 Ų | 42.4 | 64% | 0.64 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.4 | -27.8 | 178.9 | -74.8 | 178.1 | 15.9 | 0 | 0 | 113 | E102 A104 | E102-Q106 WeakPolarHBondContact O-CB 3.42Å; E102-Q106 VanDerWaalsContact O-CG 3.28Å; E102-Q106 WeakPolarHBondContact O-CG 3.46Å; E102-Q106 PolarHBondContact O-N 2.89Å; A104-Q106 PolarHBondContact O-N 2.83Å |
| 107 | H | 85.4 | Confident | 91.7 | Very high | 68 Ų | 68 | 39.2 Ų | 39.2 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -116.1 | -0 | -172 | -55.3 | 86.6 | 0 | 0 | 0 | 113.8 | Y76 R77 D103 A104 R105 | Y76-H107 HydrophobicContact CD2-CB 4.02Å; Y76-H107 HydrophobicContact CG-CB 4.35Å; R77-H107 PolarHBondContact N-O 3.16Å; D103-H107 PolarHBondContact O-N 2.75Å; D103-H107 PolarHBondContact O-ND1 2.77Å; A104-H107 PolarHBondContact O-N 2.78Å; R105-H107 VanDerWaalsContact C-N 3.31Å |
| 108 | S | 84 | Confident | 91.8 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 15% | 0.154 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -113.5 | 177.6 | 175.5 | 78.2 | 0 | 0 | 0 | 0 | 112.5 | A104 M112 | A104-S108 WeakPolarHBondContact O-CB 3.16Å; A104-S108 PolarHBondContact O-N 2.62Å; A104-S108 PolarHBondContact O-OG 3.3Å; S108-M112 VanDerWaalsContact CB-SD 3.58Å; S108-M112 WeakPolarHBondContact OG-CE 3.17Å |
| 109 | N | 80.3 | Confident | 91.9 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | trans | -68.5 | 142 | 167.3 | -172 | -43.3 | 0 | 0 | 0 | 109.8 | N111 M112 N183 | N109-N111 PolarHBondContact O-N 2.8Å; N109-N111 WeakPolarHBondContact OD1-CB 3.45Å; N109-N111 PolarHBondContact OD1-N 3.24Å; N109-M112 VanDerWaalsContact O-CB 3.23Å; N109-M112 WeakPolarHBondContact O-CB 3.44Å; N109-M112 PolarHBondContact O-N 2.92Å; N109-M112 VanDerWaalsContact O-N 3.12Å; N109-N183 PolarHBondContact ND2-OD1 2.88Å | ||
| 110 | S | 79.6 | Confident | 92.1 | Very high | 107 Ų | 107 | 36.4 Ų | 36.4 | 75% | 0.748 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.7 | 174.3 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | M112 | S110-M112 VanDerWaalsContact C-N 3.33Š|
| 111 | N | 85.9 | Confident | 92.4 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -5.2 | -179.1 | -65.2 | -13.5 | 0 | 0 | 0 | 113.2 | N109 V113 K170 V175 F176 | N109-N111 PolarHBondContact O-N 2.8Å; N109-N111 WeakPolarHBondContact OD1-CB 3.45Å; N109-N111 PolarHBondContact OD1-N 3.24Å; N111-V113 PolarHBondContact O-N 3.27Å; N111-K170 PolarHBondContact O-NZ 3.06Å; N111-K170 VanDerWaalsContact O-NZ 3.14Å; N111-V175 HydrophobicContact CB-CG1 4.34Å; N111-V175 PolarHBondContact ND2-O 3.26Å; N111-V175 VanDerWaalsContact ND2-O 3.13Å; N111-F176 HydrophobicContact CB-CD1 4.22Å; N111-F176 HydrophobicContact CB-CE1 3.63Å; N111-F176 HydrophobicContact CB-CZ 3.94Å; N111-F176 WeakPolarHBondContact O-CZ 3.4Å |
| 112 | M | 92.7 | Very high | 92.5 | Very high | 13 Ų | 13 | 40 Ų | 40 | 6% | 0.064 | 20% | 0.204 | C | C | . | . | trans | -51.8 | 129 | 179.4 | -177.7 | 171.5 | 72.5 | 0 | 0 | 110.7 | A79 A82 A104 S108 N109 S110 I114 | A79-M112 HydrophobicContact CB-SD 3.69Å; A82-M112 HydrophobicContact CB-CE 3.8Å; A82-M112 HydrophobicContact CB-SD 3.89Å; A104-M112 HydrophobicContact CB-CE 3.98Å; S108-M112 VanDerWaalsContact CB-SD 3.58Å; S108-M112 WeakPolarHBondContact OG-CE 3.17Å; N109-M112 VanDerWaalsContact O-CB 3.23Å; N109-M112 WeakPolarHBondContact O-CB 3.44Å; N109-M112 PolarHBondContact O-N 2.92Å; N109-M112 VanDerWaalsContact O-N 3.12Å; S110-M112 VanDerWaalsContact C-N 3.33Å; M112-I114 HydrophobicContact CE-CD1 3.75Å; M112-I114 HydrophobicContact CE-CG1 3.9Å; M112-I114 HydrophobicContact CG-CG1 4.37Å | ||
| 113 | V | 96.4 | Very high | 92.8 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.3 | 175.6 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | A80 G81 A82 N111 I144 T163 E166 I167 K170 | A80-V113 PolarHBondContact O-N 3.11Å; G81-V113 CarbonylContact C-O 3.4Å; G81-V113 WeakPolarHBondContact CA-O 3.21Å; A82-V113 PolarHBondContact N-O 3.05Å; N111-V113 PolarHBondContact O-N 3.27Å; V113-I144 HydrophobicContact CG1-CD1 3.68Å; V113-T163 HydrophobicContact CG1-CG2 4.05Å; V113-E166 HydrophobicContact CG1-CB 3.86Å; V113-E166 HydrophobicContact CG2-CB 4.38Å; V113-I167 HydrophobicContact CB-CD1 4.39Å; V113-I167 HydrophobicContact CB-CG1 3.7Å; V113-I167 HydrophobicContact CG1-CG1 4.46Å; V113-I167 HydrophobicContact CG2-CB 4.47Å; V113-I167 HydrophobicContact CG2-CG1 3.55Å; V113-K170 HydrophobicContact CG2-CD 3.86Å |
| 114 | I | 97.8 | Very high | 93.1 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.056 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.7 | -178.5 | -53.3 | -178.2 | 0 | 0 | 0 | 109.2 | A82 L84 L101 M112 L143 I144 | A82-I114 HydrophobicContact CB-CG1 4.26Å; A82-I114 HydrophobicContact CB-CG2 4.46Å; A82-I114 WeakPolarHBondContact O-CA 3.35Å; L84-I114 HydrophobicContact CB-CG2 4.04Å; L101-I114 HydrophobicContact CD1-CD1 3.6Å; M112-I114 HydrophobicContact CE-CD1 3.75Å; M112-I114 HydrophobicContact CE-CG1 3.9Å; M112-I114 HydrophobicContact CG-CG1 4.37Å; I114-L143 HydrophobicContact CB-CD2 3.87Å; I114-L143 HydrophobicContact CD1-CD2 4.41Å; I114-L143 HydrophobicContact CG2-CD2 4.06Å; I114-I144 PolarHBondContact O-N 3.07Å; I114-I144 VanDerWaalsContact O-N 3.1Å |
| 115 | M | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.9 | 172.4 | 172.9 | 71.7 | 70.1 | 0 | 0 | 108.9 | A82 L83 L84 I117 I144 M146 N162 T163 | A82-M115 PolarHBondContact O-N 2.87Å; L83-M115 WeakPolarHBondContact CA-O 3.42Å; L83-M115 HydrophobicContact CD2-CB 3.72Å; L83-M115 HydrophobicContact CD2-CG 4.1Å; L84-M115 PolarHBondContact N-O 2.89Å; M115-I117 HydrophobicContact CG-CD1 4.24Å; M115-I117 HydrophobicContact CG-CG1 3.77Å; M115-I144 HydrophobicContact CE-CB 3.69Å; M115-I144 HydrophobicContact CE-CD1 4.03Å; M115-I144 HydrophobicContact CE-CG1 4.5Å; M115-I144 HydrophobicContact CE-CG2 3.35Å; M115-I144 HydrophobicContact SD-CB 3.72Å; M115-I144 HydrophobicContact SD-CG2 3.64Å; M115-M146 HydrophobicContact SD-CB 4Å; M115-N162 HydrophobicContact CE-CB 4.06Å; M115-T163 VanDerWaalsContact CB-OG1 3.3Å; M115-T163 WeakPolarHBondContact CB-OG1 3.15Å |
| 116 | L | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127 | 168.1 | 179.9 | 67.2 | 0 | 0 | 0 | 109.7 | L84 Y86 L97 G134 F137 A138 L143 I144 F145 M146 | L84-L116 HydrophobicContact CD2-CD1 4.18Å; L84-L116 HydrophobicContact CG-CD1 4.11Å; L84-L116 CarbonylContact O-C 3.59Å; L84-L116 WeakPolarHBondContact O-CA 3.5Å; Y86-L116 HydrophobicContact CD1-CD1 3.85Å; Y86-L116 HydrophobicContact CD1-CG 4.39Å; Y86-L116 HydrophobicContact CE1-CD1 4.04Å; Y86-L116 HydrophobicContact CE1-CD2 4.33Å; Y86-L116 HydrophobicContact CE1-CG 4.08Å; L97-L116 HydrophobicContact CD1-CD1 3.71Å; L97-L116 HydrophobicContact CD2-CD1 3.61Å; L97-L116 HydrophobicContact CG-CD1 4.31Å; L116-G134 WeakPolarHBondContact CD2-O 3.29Å; L116-F137 HydrophobicContact CD2-CB 4.45Å; L116-F137 HydrophobicContact CD2-CD1 3.78Å; L116-F137 HydrophobicContact CD2-CG 4.49Å; L116-A138 HydrophobicContact CB-CB 4.49Å; L116-A138 HydrophobicContact CD2-CB 4.09Å; L116-L143 HydrophobicContact CB-CD1 4.27Å; L116-I144 WeakPolarHBondContact CB-O 3.3Å; L116-I144 PolarHBondContact N-O 3.44Å; L116-F145 HydrophobicContact CB-CD2 4.1Å; L116-F145 HydrophobicContact CD2-CD2 3.7Å; L116-F145 HydrophobicContact CD2-CE2 4.17Å; L116-F145 HydrophobicContact CG-CD2 3.81Å; L116-F145 HydrophobicContact CG-CE2 4.3Å; L116-F145 WeakPolarHBondContact O-CA 3.29Å; L116-M146 PolarHBondContact O-N 2.85Å |
| 117 | I | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.8 | -179.1 | -60.9 | -176.7 | 0 | 0 | 0 | 110.4 | L22 L83 L84 V85 Y86 M115 N119 M146 T148 A159 | L22-I117 HydrophobicContact CD1-CD1 4.48Å; L22-I117 HydrophobicContact CD1-CG2 4.14Å; L83-I117 HydrophobicContact CB-CD1 4.01Å; L83-I117 HydrophobicContact CD1-CD1 4.02Å; L83-I117 HydrophobicContact CD2-CD1 4.16Å; L83-I117 HydrophobicContact CG-CD1 4.28Å; L84-I117 PolarHBondContact O-N 3.03Å; V85-I117 WeakPolarHBondContact CA-O 3.37Å; V85-I117 HydrophobicContact CG1-CB 4.33Å; V85-I117 HydrophobicContact CG1-CG2 4.22Å; V85-I117 HydrophobicContact CG2-CB 4.25Å; V85-I117 HydrophobicContact CG2-CD1 4.5Å; Y86-I117 VanDerWaalsContact CD1-O 3.26Å; Y86-I117 WeakPolarHBondContact CD1-O 3.42Å; Y86-I117 PolarHBondContact N-O 2.86Å; M115-I117 HydrophobicContact CG-CD1 4.24Å; M115-I117 HydrophobicContact CG-CG1 3.77Å; I117-N119 HydrophobicContact CG2-CB 4.24Å; I117-N119 PolarHBondContact O-N 3.01Å; I117-M146 VanDerWaalsContact CA-O 3.29Å; I117-M146 WeakPolarHBondContact CA-O 3.43Å; I117-T148 HydrophobicContact CG2-CG2 3.72Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.49Å; I117-A159 HydrophobicContact CD1-CB 3.88Å |
| 118 | G | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 95.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y86 M146 E147 T148 | Y86-G118 VanDerWaalsContact CZ-CA 3.4Å; G118-M146 PolarHBondContact N-O 2.86Å; G118-E147 CarbonylContact O-C 3.54Å; G118-E147 WeakPolarHBondContact O-CA 3.48Å; G118-T148 PolarHBondContact O-N 3.45Å |
| 119 | N | 98.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 163.4 | -175.1 | -166.8 | 32.9 | 0 | 0 | 0 | 112.4 | V17 L22 V85 Y86 I88 I117 T148 A150 | V17-N119 PolarHBondContact O-ND2 2.91Å; L22-N119 HydrophobicContact CD1-CB 4.38Å; V85-N119 HydrophobicContact CG1-CB 3.81Å; Y86-N119 PolarHBondContact O-N 3.07Å; I88-N119 WeakPolarHBondContact CG1-O 3.4Å; I88-N119 PolarHBondContact N-O 3.36Å; I88-N119 VanDerWaalsContact N-O 3.08Å; I117-N119 HydrophobicContact CG2-CB 4.24Å; I117-N119 PolarHBondContact O-N 3.01Å; N119-T148 CarbonylContact C-O 3.52Å; N119-T148 WeakPolarHBondContact CA-O 3.41Å; N119-T148 PolarHBondContact OD1-O 3.43Å; N119-T148 PolarHBondContact OD1-OG1 3.32Å; N119-A150 PolarHBondContact OD1-N 3.1Å |
| 120 | K | 98.3 | Very high | 96.5 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | trans | 71 | 36 | -178.1 | -45.5 | -171.2 | -166.6 | 169.5 | 0 | 113.9 | G16 D87 I88 D122 L123 T148 | G16-K120 WeakPolarHBondContact O-CE 3.33Å; G16-K120 PolarHBondContact O-NZ 2.99Å; D87-K120 WeakPolarHBondContact OD1-CD 3.4Å; D87-K120 VanDerWaalsContact OD2-CE 3.3Å; D87-K120 WeakPolarHBondContact OD2-CE 3.33Å; D87-K120 IonicContact OD2-NZ 3.64Å; D87-K120 PolarHBondContact OD2-NZ 3.43Å; I88-K120 WeakPolarHBondContact CD1-O 3.28Å; K120-D122 PolarHBondContact O-N 2.85Å; K120-L123 HydrophobicContact CB-CD1 4.18Å; K120-L123 HydrophobicContact CB-CG 4.43Å; K120-L123 HydrophobicContact CD-CD1 4.19Å; K120-L123 PolarHBondContact O-N 3.18Å; K120-T148 PolarHBondContact N-O 2.79Å | ||
| 121 | S | 98.5 | Very high | 97.4 | Very high | 26 Ų | 26 | 50 Ų | 50 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -58.9 | -15.6 | 174.7 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | L123 T148 | S121-L123 PolarHBondContact O-N 2.88Å; S121-T148 PolarHBondContact N-O 2.72Å; S121-T148 VanDerWaalsContact OG-C 3.26Å; S121-T148 PolarHBondContact OG-O 3.33Å |
| 122 | D | 98.3 | Very high | 98 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -69.1 | -14.4 | 171.1 | 62.3 | -77.3 | 0 | 0 | 0 | 114 | K120 S149 K151 T152 | K120-D122 PolarHBondContact O-N 2.85Å; D122-S149 VanDerWaalsContact CG-OG 3.29Å; D122-S149 WeakPolarHBondContact OD1-CB 3.4Å; D122-S149 PolarHBondContact OD1-OG 3.01Å; D122-K151 WeakPolarHBondContact OD2-CD 3.18Å; D122-K151 IonicContact OD2-NZ 3.75Å; D122-T152 HydrophobicContact CB-CG2 3.97Å |
| 123 | L | 97.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -101 | 41 | -179.1 | -59.1 | -178.5 | 0 | 0 | 0 | 112.6 | T89 K120 S121 S125 R126 | T89-L123 HydrophobicContact CG2-CB 3.59Å; T89-L123 HydrophobicContact CG2-CD1 4.11Å; K120-L123 HydrophobicContact CB-CD1 4.18Å; K120-L123 HydrophobicContact CB-CG 4.43Å; K120-L123 HydrophobicContact CD-CD1 4.19Å; K120-L123 PolarHBondContact O-N 3.18Å; S121-L123 PolarHBondContact O-N 2.88Å; L123-S125 PolarHBondContact O-N 2.82Å; L123-S125 VanDerWaalsContact O-N 3.11Å; L123-R126 PolarHBondContact O-N 3.37Å |
| 124 | E | 97.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 55.4 Ų | 55.4 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -52.6 | -36.4 | -174.9 | -169.3 | 59.4 | -149.3 | 0 | 0 | 113.9 | R126 R127 | E124-R126 PolarHBondContact O-N 3.13Å; E124-R126 VanDerWaalsContact O-N 3.13Å; E124-R127 VanDerWaalsContact O-CB 3.27Å; E124-R127 WeakPolarHBondContact O-CB 3.45Å; E124-R127 PolarHBondContact O-N 2.94Å; E124-R127 VanDerWaalsContact O-N 3.11Å; E124-R127 WeakPolarHBondContact OE1-CD 3.36Å; E124-R127 IonicContact OE1-CZ 3.72Å; E124-R127 IonicContact OE1-NE 3.01Å; E124-R127 PolarHBondContact OE1-NE 3.49Å; E124-R127 IonicContact OE1-NH2 3.24Å; E124-R127 IonicContact OE2-CZ 3.75Å; E124-R127 VanDerWaalsContact OE2-CZ 3.31Å; E124-R127 IonicContact OE2-NE 3.27Å; E124-R127 PolarHBondContact OE2-NE 3.45Å; E124-R127 IonicContact OE2-NH2 2.68Å; E124-R127 PolarHBondContact OE2-NH2 3.01Å |
| 125 | S | 97.9 | Very high | 98.4 | Very high | 120 Ų | 120 | 58.1 Ų | 58.1 | 84% | 0.839 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -66.4 | -13.3 | 178.6 | 60.2 | 0 | 0 | 0 | 0 | 114.6 | L123 | L123-S125 PolarHBondContact O-N 2.82Å; L123-S125 VanDerWaalsContact O-N 3.11Å |
| 126 | R | 97.9 | Very high | 98.4 | Very high | 172 Ų | 172 | 60.3 Ų | 60.3 | 65% | 0.649 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -113.3 | 13.5 | 177.7 | -58.5 | -175.9 | -177 | -175.6 | 0 | 112.1 | T89 L123 E124 E128 | T89-R126 WeakPolarHBondContact CA-O 3.37Å; T89-R126 VanDerWaalsContact CB-O 3.24Å; T89-R126 WeakPolarHBondContact CB-O 3.48Å; T89-R126 HydrophobicContact CG2-CB 3.92Å; L123-R126 PolarHBondContact O-N 3.37Å; E124-R126 PolarHBondContact O-N 3.13Å; E124-R126 VanDerWaalsContact O-N 3.13Å; R126-E128 PolarHBondContact O-N 3.4Å |
| 127 | R | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 21% | 0.211 | 30% | 0.299 | C | S | . | . | trans | -60.2 | 125.8 | -178.4 | 179.4 | -179.7 | -71.9 | -86.3 | 5.7 | 110.7 | I88 E124 V129 E147 | I88-R127 HydrophobicContact CD1-CG 4.49Å; E124-R127 VanDerWaalsContact O-CB 3.27Å; E124-R127 WeakPolarHBondContact O-CB 3.45Å; E124-R127 PolarHBondContact O-N 2.94Å; E124-R127 VanDerWaalsContact O-N 3.11Å; E124-R127 WeakPolarHBondContact OE1-CD 3.36Å; E124-R127 IonicContact OE1-CZ 3.72Å; E124-R127 IonicContact OE1-NE 3.01Å; E124-R127 PolarHBondContact OE1-NE 3.49Å; E124-R127 IonicContact OE1-NH2 3.24Å; E124-R127 IonicContact OE2-CZ 3.75Å; E124-R127 VanDerWaalsContact OE2-CZ 3.31Å; E124-R127 IonicContact OE2-NE 3.27Å; E124-R127 PolarHBondContact OE2-NE 3.45Å; E124-R127 IonicContact OE2-NH2 2.68Å; E124-R127 PolarHBondContact OE2-NH2 3.01Å; R127-V129 VanDerWaalsContact CD-O 3.3Å; R127-V129 WeakPolarHBondContact CD-O 3.49Å; R127-V129 WeakPolarHBondContact CG-O 3.25Å; R127-V129 PolarHBondContact NH1-O 3.34Å; R127-E147 IonicContact CZ-OE1 3.64Å; R127-E147 IonicContact CZ-OE2 3.81Å; R127-E147 IonicContact NH1-OE1 3.63Å; R127-E147 PolarHBondContact NH1-OE1 2.76Å; R127-E147 IonicContact NH1-OE2 2.76Å; R127-E147 IonicContact NH2-OE1 3.76Å; R127-E147 PolarHBondContact NH2-OE1 2.98Å; R127-E147 IonicContact NH2-OE2 2.75Å; R127-E147 PolarHBondContact NH2-OE2 2.94Å | ||
| 128 | E | 98.7 | Very high | 98.3 | Very high | 107 Ų | 107 | 61.4 Ų | 61.4 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | trans | -109.5 | -21.9 | 172.7 | -66.1 | -174.6 | -178.7 | 0 | 0 | 112.1 | I88 T89 R90 R91 R126 | I88-E128 PolarHBondContact O-N 3.16Å; T89-E128 VanDerWaalsContact O-CD 3.27Å; R90-E128 WeakPolarHBondContact CA-OE2 3.31Å; R91-E128 HydrophobicContact CB-CB 4.32Å; R91-E128 WeakPolarHBondContact CB-OE2 3.32Å; R91-E128 PolarHBondContact N-OE2 2.76Å; R91-E128 PolarHBondContact NE-O 3.24Å; R91-E128 PolarHBondContact NH2-O 2.94Å; R126-E128 PolarHBondContact O-N 3.4Å | ||
| 129 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -114.1 | 120 | 179.3 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | Y86 I88 F94 R127 E133 | Y86-V129 HydrophobicContact CD2-CG2 4.45Å; Y86-V129 HydrophobicContact CE2-CB 3.95Å; Y86-V129 HydrophobicContact CE2-CG1 3.75Å; Y86-V129 HydrophobicContact CE2-CG2 4.2Å; I88-V129 PolarHBondContact O-N 3.24Å; I88-V129 VanDerWaalsContact O-N 3.09Å; F94-V129 HydrophobicContact CB-CG1 4.45Å; F94-V129 HydrophobicContact CB-CG2 3.79Å; F94-V129 HydrophobicContact CD1-CG1 4.47Å; F94-V129 HydrophobicContact CD2-CG1 3.66Å; F94-V129 HydrophobicContact CD2-CG2 4.49Å; F94-V129 HydrophobicContact CE2-CG1 3.94Å; F94-V129 HydrophobicContact CG-CG1 3.94Å; F94-V129 HydrophobicContact CG-CG2 4.15Å; F94-V129 HydrophobicContact CZ-CG1 4.46Å; R127-V129 VanDerWaalsContact CD-O 3.3Å; R127-V129 WeakPolarHBondContact CD-O 3.49Å; R127-V129 WeakPolarHBondContact CG-O 3.25Å; R127-V129 PolarHBondContact NH1-O 3.34Å; V129-E133 HydrophobicContact CG1-CB 4.23Å |
| 130 | K | 98.5 | Very high | 98.3 | Very high | 135 Ų | 135 | 77.5 Ų | 77.5 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | trans | -72.6 | 150.4 | 176.8 | -61.6 | -175.5 | 178.5 | 179.9 | 0 | 110.8 | E132 E133 | K130-E132 WeakPolarHBondContact CB-OE2 3.21Å; K130-E132 PolarHBondContact O-N 3.28Å; K130-E133 HydrophobicContact CB-CG 4.16Å; K130-E133 WeakPolarHBondContact CB-OE2 3.11Å; K130-E133 PolarHBondContact N-OE2 2.9Å; K130-E133 WeakPolarHBondContact O-CB 3.48Å; K130-E133 PolarHBondContact O-N 3.01Å; K130-E133 VanDerWaalsContact O-N 3.1Å | ||
| 131 | K | 98.3 | Very high | 98.2 | Very high | 91 Ų | 91 | 77.2 Ų | 77.2 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 179.3 | -170.8 | -176 | 178 | -150.7 | 0 | 111.6 | E133 G134 E135 F145 E147 | K131-E133 PolarHBondContact O-N 3.45Å; K131-G134 PolarHBondContact O-N 2.98Å; K131-G134 VanDerWaalsContact O-N 3.13Å; K131-E135 WeakPolarHBondContact CE-OE1 3.37Å; K131-E135 IonicContact NZ-OE1 2.7Å; K131-E135 PolarHBondContact NZ-OE1 3.24Å; K131-E135 WeakPolarHBondContact O-CG 3.19Å; K131-E135 PolarHBondContact O-N 3.03Å; K131-F145 HydrophobicContact CG-CE1 3.77Å; K131-F145 HydrophobicContact CG-CZ 4.26Å; K131-E147 HydrophobicContact CG-CG 4.31Å |
| 132 | E | 98.5 | Very high | 98.1 | Very high | 120 Ų | 120 | 79.3 Ų | 79.3 | 56% | 0.561 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.6 | -28.8 | 179.8 | -60.2 | 75.4 | -163.7 | 0 | 0 | 112.4 | K130 A136 | K130-E132 WeakPolarHBondContact CB-OE2 3.21Å; K130-E132 PolarHBondContact O-N 3.28Å; E132-A136 VanDerWaalsContact O-CB 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.43Å; E132-A136 PolarHBondContact O-N 2.83Å |
| 133 | E | 98.3 | Very high | 98 | Very high | 64 Ų | 64 | 77.7 Ų | 77.7 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.2 | -41.2 | 176.3 | -62.2 | 177.2 | 81.7 | 0 | 0 | 111.1 | R91 F94 V129 K130 K131 A136 F137 | R91-E133 IonicContact CZ-OE1 3.5Å; R91-E133 VanDerWaalsContact CZ-OE1 3.27Å; R91-E133 IonicContact CZ-OE2 2.68Å; R91-E133 IonicContact NH1-OE1 3.22Å; R91-E133 PolarHBondContact NH1-OE1 3.01Å; R91-E133 IonicContact NH1-OE2 3.55Å; R91-E133 VanDerWaalsContact NH2-CD 3.27Å; R91-E133 IonicContact NH2-OE1 2.69Å; R91-E133 PolarHBondContact NH2-OE1 2.97Å; R91-E133 IonicContact NH2-OE2 2.63Å; R91-E133 PolarHBondContact NH2-OE2 3.18Å; F94-E133 HydrophobicContact CZ-CB 4.12Å; V129-E133 HydrophobicContact CG1-CB 4.23Å; K130-E133 HydrophobicContact CB-CG 4.16Å; K130-E133 WeakPolarHBondContact CB-OE2 3.11Å; K130-E133 PolarHBondContact N-OE2 2.9Å; K130-E133 WeakPolarHBondContact O-CB 3.48Å; K130-E133 PolarHBondContact O-N 3.01Å; K130-E133 VanDerWaalsContact O-N 3.1Å; K131-E133 PolarHBondContact O-N 3.45Å; E133-A136 PolarHBondContact O-N 2.82Å; E133-F137 WeakPolarHBondContact O-CB 3.5Å; E133-F137 PolarHBondContact O-N 3.46Å |
| 134 | G | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L116 K131 A136 F137 A138 | L116-G134 WeakPolarHBondContact CD2-O 3.29Å; K131-G134 PolarHBondContact O-N 2.98Å; K131-G134 VanDerWaalsContact O-N 3.13Å; G134-A136 PolarHBondContact O-N 3.07Å; G134-F137 PolarHBondContact O-N 3.19Å; G134-A138 WeakPolarHBondContact O-CB 3.48Å; G134-A138 PolarHBondContact O-N 3.22Å |
| 135 | E | 98.5 | Very high | 98.1 | Very high | 69 Ų | 69 | 74.4 Ų | 74.4 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 175 | -70.6 | 174.3 | 179 | 0 | 0 | 112.4 | K131 R139 F145 | K131-E135 WeakPolarHBondContact CE-OE1 3.37Å; K131-E135 IonicContact NZ-OE1 2.7Å; K131-E135 PolarHBondContact NZ-OE1 3.24Å; K131-E135 WeakPolarHBondContact O-CG 3.19Å; K131-E135 PolarHBondContact O-N 3.03Å; E135-R139 WeakPolarHBondContact O-CB 3.5Å; E135-R139 PolarHBondContact O-N 3.36Å; E135-R139 VanDerWaalsContact O-N 3.11Å; E135-F145 HydrophobicContact CB-CD1 4.33Å; E135-F145 HydrophobicContact CG-CD1 3.4Å; E135-F145 VanDerWaalsContact CG-CD1 3.4Å; E135-F145 HydrophobicContact CG-CE1 3.59Å; E135-F145 HydrophobicContact CG-CG 4.43Å |
| 136 | A | 98.6 | Very high | 98.2 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 38% | 0.38 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -49.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E132 E133 G134 A138 R139 E140 | E132-A136 VanDerWaalsContact O-CB 3.25Å; E132-A136 WeakPolarHBondContact O-CB 3.43Å; E132-A136 PolarHBondContact O-N 2.83Å; E133-A136 PolarHBondContact O-N 2.82Å; G134-A136 PolarHBondContact O-N 3.07Å; A136-A138 PolarHBondContact O-N 2.77Å; A136-R139 PolarHBondContact O-N 3.29Å; A136-E140 WeakPolarHBondContact O-CB 3.26Å; A136-E140 PolarHBondContact O-N 2.9Å |
| 137 | F | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59 | -46.6 | 178.1 | -176.9 | -83 | 0 | 0 | 0 | 111.8 | F94 L97 T98 L101 L116 E133 G134 R139 E140 H141 L143 | F94-F137 HydrophobicContact CE2-CB 4.43Å; F94-F137 HydrophobicContact CZ-CB 3.99Å; F94-F137 HydrophobicContact CZ-CD2 4.42Å; F94-F137 HydrophobicContact CZ-CG 4.37Å; L97-F137 HydrophobicContact CB-CE1 4Å; L97-F137 HydrophobicContact CB-CE2 4.06Å; L97-F137 HydrophobicContact CB-CZ 3.56Å; L97-F137 HydrophobicContact CD1-CD1 4.39Å; L97-F137 HydrophobicContact CD1-CE1 4.28Å; L97-F137 HydrophobicContact CD1-CZ 4.44Å; T98-F137 HydrophobicContact CG2-CE2 3.85Å; T98-F137 HydrophobicContact CG2-CZ 4.32Å; L101-F137 HydrophobicContact CD2-CE1 4.29Å; L101-F137 HydrophobicContact CD2-CZ 4.25Å; L116-F137 HydrophobicContact CD2-CB 4.45Å; L116-F137 HydrophobicContact CD2-CD1 3.78Å; L116-F137 HydrophobicContact CD2-CG 4.49Å; E133-F137 WeakPolarHBondContact O-CB 3.5Å; E133-F137 PolarHBondContact O-N 3.46Å; G134-F137 PolarHBondContact O-N 3.19Å; F137-R139 VanDerWaalsContact C-N 3.33Å; F137-R139 PolarHBondContact O-N 3.5Å; F137-E140 PolarHBondContact O-N 2.55Å; F137-H141 AromaticContact CD1-CD2 3.78Å; F137-H141 AromaticContact CD2-CD2 3.81Å; F137-H141 AromaticContact CD2-NE2 3.96Å; F137-H141 AromaticContact CE1-CD2 3.54Å; F137-H141 AromaticContact CE2-CD2 3.55Å; F137-H141 AromaticContact CE2-NE2 3.48Å; F137-H141 WeakPolarHBondContact CE2-NE2 3.31Å; F137-H141 AromaticContact CG-CD2 3.93Å; F137-H141 AromaticContact CZ-CD2 3.41Å; F137-H141 VanDerWaalsContact CZ-CD2 3.41Å; F137-H141 WeakPolarHBondContact CZ-CD2 3.29Å; F137-H141 AromaticContact CZ-NE2 3.66Å; F137-H141 PolarHBondContact O-CD2 3.15Å; F137-H141 VanDerWaalsContact O-CD2 3.29Å; F137-H141 PolarHBondContact O-N 3Å; F137-H141 VanDerWaalsContact O-N 3.07Å; F137-L143 HydrophobicContact CD1-CD1 4.14Å; F137-L143 HydrophobicContact CE1-CD1 3.86Å |
| 138 | A | 98.3 | Very high | 98.2 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L116 G134 A136 H141 G142 L143 F145 | L116-A138 HydrophobicContact CB-CB 4.49Å; L116-A138 HydrophobicContact CD2-CB 4.09Å; G134-A138 WeakPolarHBondContact O-CB 3.48Å; G134-A138 PolarHBondContact O-N 3.22Å; A136-A138 PolarHBondContact O-N 2.77Å; A138-H141 CarbonylContact O-C 3.57Å; A138-H141 PolarHBondContact O-N 3.13Å; A138-G142 CarbonylContact O-C 3.58Å; A138-G142 WeakPolarHBondContact O-CA 3.09Å; A138-G142 PolarHBondContact O-N 3.4Å; A138-L143 HydrophobicContact CB-CB 4.07Å; A138-L143 PolarHBondContact O-N 3.02Å; A138-F145 HydrophobicContact CB-CB 3.65Å; A138-F145 HydrophobicContact CB-CG 4.45Å |
| 139 | R | 98.1 | Very high | 98.2 | Very high | 188 Ų | 188 | 55.2 Ų | 55.2 | 71% | 0.709 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 177.6 | -168.3 | -168.9 | -31.2 | -178 | 8.5 | 112.6 | E135 A136 F137 H141 G142 | E135-R139 WeakPolarHBondContact O-CB 3.5Å; E135-R139 PolarHBondContact O-N 3.36Å; E135-R139 VanDerWaalsContact O-N 3.11Å; A136-R139 PolarHBondContact O-N 3.29Å; F137-R139 VanDerWaalsContact C-N 3.33Å; F137-R139 PolarHBondContact O-N 3.5Å; R139-H141 PolarHBondContact O-N 3.24Å; R139-G142 PolarHBondContact O-N 2.83Å |
| 140 | E | 97.9 | Very high | 98.1 | Very high | 153 Ų | 153 | 55.3 Ų | 55.3 | 72% | 0.715 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.7 | -38.4 | 178 | -178.7 | 175.4 | 176.4 | 0 | 0 | 111.6 | A136 F137 | A136-E140 WeakPolarHBondContact O-CB 3.26Å; A136-E140 PolarHBondContact O-N 2.9Å; F137-E140 PolarHBondContact O-N 2.55Å |
| 141 | H | 96.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 22% | 0.222 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -98 | 2.1 | -178.2 | -67.2 | -61.5 | 0 | 0 | 0 | 114.6 | L101 R105 F137 A138 R139 L143 | L101-H141 HydrophobicContact CD2-CB 3.71Å; R105-H141 PolarHBondContact NH2-O 2.99Å; F137-H141 AromaticContact CD1-CD2 3.78Å; F137-H141 AromaticContact CD2-CD2 3.81Å; F137-H141 AromaticContact CD2-NE2 3.96Å; F137-H141 AromaticContact CE1-CD2 3.54Å; F137-H141 AromaticContact CE2-CD2 3.55Å; F137-H141 AromaticContact CE2-NE2 3.48Å; F137-H141 WeakPolarHBondContact CE2-NE2 3.31Å; F137-H141 AromaticContact CG-CD2 3.93Å; F137-H141 AromaticContact CZ-CD2 3.41Å; F137-H141 VanDerWaalsContact CZ-CD2 3.41Å; F137-H141 WeakPolarHBondContact CZ-CD2 3.29Å; F137-H141 AromaticContact CZ-NE2 3.66Å; F137-H141 PolarHBondContact O-CD2 3.15Å; F137-H141 VanDerWaalsContact O-CD2 3.29Å; F137-H141 PolarHBondContact O-N 3Å; F137-H141 VanDerWaalsContact O-N 3.07Å; A138-H141 CarbonylContact O-C 3.57Å; A138-H141 PolarHBondContact O-N 3.13Å; R139-H141 PolarHBondContact O-N 3.24Å; H141-L143 HydrophobicContact CB-CD1 4.06Å; H141-L143 HydrophobicContact CB-CD2 4.1Å; H141-L143 HydrophobicContact CB-CG 3.8Å |
| 142 | G | 95.9 | Very high | 98 | Very high | 69 Ų | 69 | 54.3 Ų | 54.3 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 40.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A138 R139 | A138-G142 CarbonylContact O-C 3.58Å; A138-G142 WeakPolarHBondContact O-CA 3.09Å; A138-G142 PolarHBondContact O-N 3.4Å; R139-G142 PolarHBondContact O-N 2.83Å |
| 143 | L | 97.8 | Very high | 98 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | trans | -104.1 | 159.4 | 176.6 | -38.2 | 177.7 | 0 | 0 | 0 | 109.9 | L84 L101 I114 L116 F137 A138 H141 | L84-L143 HydrophobicContact CD2-CD1 4.5Å; L101-L143 HydrophobicContact CD1-CD1 4.37Å; L101-L143 HydrophobicContact CD1-CD2 3.9Å; L101-L143 HydrophobicContact CD2-CD1 4.27Å; L101-L143 HydrophobicContact CD2-CD2 4.49Å; I114-L143 HydrophobicContact CB-CD2 3.87Å; I114-L143 HydrophobicContact CD1-CD2 4.41Å; I114-L143 HydrophobicContact CG2-CD2 4.06Å; L116-L143 HydrophobicContact CB-CD1 4.27Å; F137-L143 HydrophobicContact CD1-CD1 4.14Å; F137-L143 HydrophobicContact CE1-CD1 3.86Å; A138-L143 HydrophobicContact CB-CB 4.07Å; A138-L143 PolarHBondContact O-N 3.02Å; H141-L143 HydrophobicContact CB-CD1 4.06Å; H141-L143 HydrophobicContact CB-CD2 4.1Å; H141-L143 HydrophobicContact CB-CG 3.8Å | ||
| 144 | I | 97.9 | Very high | 98 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 151.2 | 166 | -45.7 | 153 | 0 | 0 | 0 | 107.7 | V113 I114 M115 L116 E166 | V113-I144 HydrophobicContact CG1-CD1 3.68Å; I114-I144 PolarHBondContact O-N 3.07Å; I114-I144 VanDerWaalsContact O-N 3.1Å; M115-I144 HydrophobicContact CE-CB 3.69Å; M115-I144 HydrophobicContact CE-CD1 4.03Å; M115-I144 HydrophobicContact CE-CG1 4.5Å; M115-I144 HydrophobicContact CE-CG2 3.35Å; M115-I144 HydrophobicContact SD-CB 3.72Å; M115-I144 HydrophobicContact SD-CG2 3.64Å; L116-I144 WeakPolarHBondContact CB-O 3.3Å; L116-I144 PolarHBondContact N-O 3.44Å; I144-E166 HydrophobicContact CD1-CB 4.07Å; I144-E166 HydrophobicContact CD1-CG 3.65Å |
| 145 | F | 98.6 | Very high | 98 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.1 | 179.2 | 176.9 | -112.1 | 0 | 0 | 0 | 112.9 | Y86 L116 K131 E135 A138 E147 | Y86-F145 HydrophobicContact CE1-CE2 4.16Å; L116-F145 HydrophobicContact CB-CD2 4.1Å; L116-F145 HydrophobicContact CD2-CD2 3.7Å; L116-F145 HydrophobicContact CD2-CE2 4.17Å; L116-F145 HydrophobicContact CG-CD2 3.81Å; L116-F145 HydrophobicContact CG-CE2 4.3Å; L116-F145 WeakPolarHBondContact O-CA 3.29Å; K131-F145 HydrophobicContact CG-CE1 3.77Å; K131-F145 HydrophobicContact CG-CZ 4.26Å; E135-F145 HydrophobicContact CB-CD1 4.33Å; E135-F145 HydrophobicContact CG-CD1 3.4Å; E135-F145 VanDerWaalsContact CG-CD1 3.4Å; E135-F145 HydrophobicContact CG-CE1 3.59Å; E135-F145 HydrophobicContact CG-CG 4.43Å; A138-F145 HydrophobicContact CB-CB 3.65Å; A138-F145 HydrophobicContact CB-CG 4.45Å; F145-E147 HydrophobicContact CE1-CG 4.16Å; F145-E147 HydrophobicContact CE2-CG 4.45Å; F145-E147 HydrophobicContact CZ-CG 3.64Å |
| 146 | M | 98.6 | Very high | 98 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 142.3 | 172.3 | -169.9 | 163.6 | -77.7 | 0 | 0 | 111 | M115 L116 I117 G118 T148 N155 E158 A159 | M115-M146 HydrophobicContact SD-CB 4Å; L116-M146 PolarHBondContact O-N 2.85Å; I117-M146 VanDerWaalsContact CA-O 3.29Å; I117-M146 WeakPolarHBondContact CA-O 3.43Å; G118-M146 PolarHBondContact N-O 2.86Å; M146-T148 HydrophobicContact CG-CG2 4.23Å; M146-N155 HydrophobicContact CG-CB 3.85Å; M146-N155 HydrophobicContact SD-CB 3.7Å; M146-E158 HydrophobicContact CE-CB 3.94Å; M146-E158 HydrophobicContact SD-CB 3.8Å; M146-A159 HydrophobicContact SD-CB 3.94Å; M146-A159 PolarHBondContact SD-N 3.24Å |
| 147 | E | 98.8 | Very high | 97.9 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.4 | 164.6 | -68 | -164 | 160.7 | 0 | 0 | 110.4 | G118 R127 K131 F145 N155 | G118-E147 CarbonylContact O-C 3.54Å; G118-E147 WeakPolarHBondContact O-CA 3.48Å; R127-E147 IonicContact CZ-OE1 3.64Å; R127-E147 IonicContact CZ-OE2 3.81Å; R127-E147 IonicContact NH1-OE1 3.63Å; R127-E147 PolarHBondContact NH1-OE1 2.76Å; R127-E147 IonicContact NH1-OE2 2.76Å; R127-E147 IonicContact NH2-OE1 3.76Å; R127-E147 PolarHBondContact NH2-OE1 2.98Å; R127-E147 IonicContact NH2-OE2 2.75Å; R127-E147 PolarHBondContact NH2-OE2 2.94Å; K131-E147 HydrophobicContact CG-CG 4.31Å; F145-E147 HydrophobicContact CE1-CG 4.16Å; F145-E147 HydrophobicContact CE2-CG 4.45Å; F145-E147 HydrophobicContact CZ-CG 3.64Å; E147-N155 VanDerWaalsContact O-CB 3.23Å; E147-N155 WeakPolarHBondContact O-CB 3.22Å; E147-N155 PolarHBondContact O-ND2 2.88Å |
| 148 | T | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 158.8 | -175.4 | 64.3 | 0 | 0 | 0 | 0 | 112 | I117 G118 N119 K120 S121 M146 S154 N155 A159 | I117-T148 HydrophobicContact CG2-CG2 3.72Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.49Å; G118-T148 PolarHBondContact O-N 3.45Å; N119-T148 CarbonylContact C-O 3.52Å; N119-T148 WeakPolarHBondContact CA-O 3.41Å; N119-T148 PolarHBondContact OD1-O 3.43Å; N119-T148 PolarHBondContact OD1-OG1 3.32Å; K120-T148 PolarHBondContact N-O 2.79Å; S121-T148 PolarHBondContact N-O 2.72Å; S121-T148 VanDerWaalsContact OG-C 3.26Å; S121-T148 PolarHBondContact OG-O 3.33Å; M146-T148 HydrophobicContact CG-CG2 4.23Å; T148-S154 WeakPolarHBondContact CA-O 3.43Å; T148-N155 HydrophobicContact CG2-CB 3.99Å; T148-A159 HydrophobicContact CG2-CB 4.14Å |
| 149 | S | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -129.5 | 110.5 | 161.5 | 172.8 | 0 | 0 | 0 | 0 | 110 | D122 K151 T152 A153 S154 V156 | D122-S149 VanDerWaalsContact CG-OG 3.29Å; D122-S149 WeakPolarHBondContact OD1-CB 3.4Å; D122-S149 PolarHBondContact OD1-OG 3.01Å; S149-K151 PolarHBondContact O-N 3.03Å; S149-K151 PolarHBondContact OG-N 3.48Å; S149-T152 VanDerWaalsContact CB-OG1 3.25Å; S149-T152 WeakPolarHBondContact CB-OG1 3.5Å; S149-T152 PolarHBondContact O-N 3.44Å; S149-T152 PolarHBondContact OG-N 2.68Å; S149-T152 VanDerWaalsContact OG-N 3.12Å; S149-T152 PolarHBondContact OG-OG1 2.71Å; S149-A153 CarbonylContact O-C 3.5Å; S149-A153 VanDerWaalsContact O-CA 3.28Å; S149-A153 WeakPolarHBondContact O-CA 3.37Å; S149-A153 PolarHBondContact O-N 2.82Å; S149-S154 PolarHBondContact N-O 2.76Å; S149-S154 PolarHBondContact O-N 2.88Å; S149-V156 WeakPolarHBondContact O-CG2 3.18Å | ||
| 150 | A | 97.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C21 L22 Q25 F31 N119 | C21-A150 HydrophobicContact CB-CB 3.64Å; L22-A150 HydrophobicContact CD2-CB 3.97Å; L22-A150 HydrophobicContact CG-CB 4.22Å; Q25-A150 PolarHBondContact NE2-O 3.3Å; F31-A150 HydrophobicContact CD2-CB 4.35Å; F31-A150 WeakPolarHBondContact CD2-O 3.2Å; F31-A150 HydrophobicContact CE2-CB 4.5Å; N119-A150 PolarHBondContact OD1-N 3.1Å |
| 151 | K | 96.7 | Very high | 97.9 | Very high | 119 Ų | 119 | 38.1 Ų | 38.1 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -44.2 | -179.5 | -174.4 | -171.7 | -177.7 | -177.9 | 0 | 112.5 | F31 D122 S149 | F31-K151 HydrophobicContact CD1-CB 4.42Å; F31-K151 HydrophobicContact CD1-CG 4.07Å; F31-K151 HydrophobicContact CD2-CB 4.18Å; F31-K151 HydrophobicContact CE1-CB 4.24Å; F31-K151 HydrophobicContact CE1-CG 3.88Å; F31-K151 HydrophobicContact CE2-CB 3.99Å; F31-K151 HydrophobicContact CG-CB 4.39Å; F31-K151 HydrophobicContact CG-CG 4.46Å; F31-K151 HydrophobicContact CZ-CB 4.02Å; F31-K151 HydrophobicContact CZ-CG 4.13Å; D122-K151 WeakPolarHBondContact OD2-CD 3.18Å; D122-K151 IonicContact OD2-NZ 3.75Å; S149-K151 PolarHBondContact O-N 3.03Å; S149-K151 PolarHBondContact OG-N 3.48Å |
| 152 | T | 97.5 | Very high | 98 | Very high | 86 Ų | 86 | 38.3 Ų | 38.3 | 53% | 0.528 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -1 | -177.8 | 66.6 | 0 | 0 | 0 | 0 | 113.4 | D122 S149 S154 | D122-T152 HydrophobicContact CB-CG2 3.97Å; S149-T152 VanDerWaalsContact CB-OG1 3.25Å; S149-T152 WeakPolarHBondContact CB-OG1 3.5Å; S149-T152 PolarHBondContact O-N 3.44Å; S149-T152 PolarHBondContact OG-N 2.68Å; S149-T152 VanDerWaalsContact OG-N 3.12Å; S149-T152 PolarHBondContact OG-OG1 2.71Å; T152-S154 PolarHBondContact O-N 3.25Å; T152-S154 WeakPolarHBondContact OG1-CB 3.38Å; T152-S154 PolarHBondContact OG1-N 3.24Å |
| 153 | A | 97.9 | Very high | 98.1 | Very high | 42 Ų | 42 | 35 Ų | 35 | 35% | 0.347 | 19% | 0.187 | S | C | . | . | trans | 64 | 6.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q25 S149 N155 V156 | Q25-A153 HydrophobicContact CG-CB 4.01Å; S149-A153 CarbonylContact O-C 3.5Å; S149-A153 VanDerWaalsContact O-CA 3.28Å; S149-A153 WeakPolarHBondContact O-CA 3.37Å; S149-A153 PolarHBondContact O-N 2.82Å; A153-N155 PolarHBondContact O-N 3.4Å; A153-V156 PolarHBondContact O-N 3.49Å | ||
| 154 | S | 98.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 34% | 0.336 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 124.5 | 180 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | T148 S149 T152 V156 | T148-S154 WeakPolarHBondContact CA-O 3.43Å; S149-S154 PolarHBondContact N-O 2.76Å; S149-S154 PolarHBondContact O-N 2.88Å; T152-S154 PolarHBondContact O-N 3.25Å; T152-S154 WeakPolarHBondContact OG1-CB 3.38Å; T152-S154 PolarHBondContact OG1-N 3.24Å; S154-V156 PolarHBondContact O-N 2.85Å |
| 155 | N | 98.4 | Very high | 98.1 | Very high | 64 Ų | 64 | 36 Ų | 36 | 34% | 0.342 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 7.4 | 177.1 | -65.6 | -20.3 | 0 | 0 | 0 | 115.5 | M146 E147 T148 A153 E158 A159 | M146-N155 HydrophobicContact CG-CB 3.85Å; M146-N155 HydrophobicContact SD-CB 3.7Å; E147-N155 VanDerWaalsContact O-CB 3.23Å; E147-N155 WeakPolarHBondContact O-CB 3.22Å; E147-N155 PolarHBondContact O-ND2 2.88Å; T148-N155 HydrophobicContact CG2-CB 3.99Å; A153-N155 PolarHBondContact O-N 3.4Å; N155-E158 VanDerWaalsContact C-OE2 3.22Å; N155-E158 WeakPolarHBondContact CA-OE2 3.13Å; N155-A159 WeakPolarHBondContact O-CB 3.47Å; N155-A159 PolarHBondContact O-N 2.95Å |
| 156 | V | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.8 | -42.7 | -178 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | L22 Q25 F26 S149 A153 S154 F160 | L22-V156 HydrophobicContact CD2-CG1 4.28Å; L22-V156 HydrophobicContact CD2-CG2 3.83Å; Q25-V156 HydrophobicContact CB-CG1 4.14Å; Q25-V156 HydrophobicContact CG-CB 4.28Å; Q25-V156 HydrophobicContact CG-CG1 4.01Å; Q25-V156 HydrophobicContact CG-CG2 4.11Å; F26-V156 HydrophobicContact CB-CG1 4.11Å; S149-V156 WeakPolarHBondContact O-CG2 3.18Å; A153-V156 PolarHBondContact O-N 3.49Å; S154-V156 PolarHBondContact O-N 2.85Å; V156-F160 HydrophobicContact CG1-CE2 4.31Å; V156-F160 VanDerWaalsContact O-CD2 3.22Å; V156-F160 WeakPolarHBondContact O-CD2 3.34Å |
| 157 | E | 97.6 | Very high | 97.8 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 20% | 0.201 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 178.5 | -168.1 | 76.2 | -176.5 | 0 | 0 | 110.8 | K29 R46 A159 F160 I161 | K29-E157 IonicContact NZ-OE2 3.51Å; K29-E157 PolarHBondContact NZ-OE2 3.43Å; R46-E157 IonicContact CZ-OE1 2.8Å; R46-E157 IonicContact CZ-OE2 3.61Å; R46-E157 VanDerWaalsContact NH1-CD 3.25Å; R46-E157 IonicContact NH1-OE1 3.44Å; R46-E157 PolarHBondContact NH1-OE1 3.43Å; R46-E157 IonicContact NH1-OE2 3.03Å; R46-E157 PolarHBondContact NH1-OE2 3.27Å; R46-E157 IonicContact NH2-OE1 2.79Å; R46-E157 PolarHBondContact NH2-OE1 3.3Å; R46-E157 IonicContact NH2-OE2 2.71Å; R46-E157 PolarHBondContact NH2-OE2 2.73Å; E157-A159 PolarHBondContact O-N 3.11Å; E157-F160 PolarHBondContact O-N 3.02Å; E157-I161 HydrophobicContact CG-CD1 3.64Å; E157-I161 HydrophobicContact CG-CG1 4.36Å; E157-I161 WeakPolarHBondContact O-CB 3.4Å; E157-I161 WeakPolarHBondContact O-CG1 3.38Å; E157-I161 PolarHBondContact O-N 2.92Å |
| 158 | E | 98.3 | Very high | 97.7 | Very high | 86 Ų | 86 | 36.3 Ų | 36.3 | 40% | 0.402 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.6 | -40.2 | -176.1 | -64.7 | 81.6 | 175.7 | 0 | 0 | 111.4 | M146 N155 F160 I161 N162 | M146-E158 HydrophobicContact CE-CB 3.94Å; M146-E158 HydrophobicContact SD-CB 3.8Å; N155-E158 VanDerWaalsContact C-OE2 3.22Å; N155-E158 WeakPolarHBondContact CA-OE2 3.13Å; E158-F160 PolarHBondContact O-N 2.84Å; E158-I161 PolarHBondContact O-N 3.45Å; E158-N162 WeakPolarHBondContact O-CB 3.43Å; E158-N162 PolarHBondContact O-N 2.9Å |
| 159 | A | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -45.3 | 178.2 | 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 3.94Å; M146-A159 PolarHBondContact SD-N 3.24Å; T148-A159 HydrophobicContact CG2-CB 4.14Å; N155-A159 WeakPolarHBondContact O-CB 3.47Å; N155-A159 PolarHBondContact O-N 2.95Å; E157-A159 PolarHBondContact O-N 3.11Å; A159-T163 PolarHBondContact O-N 2.68Å; A159-T163 PolarHBondContact O-OG1 3.44Å |
| 160 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.5 | -42.7 | 179.9 | -74.1 | -102.6 | 0 | 0 | 0 | 111.9 | Y9 I11 F26 L57 I59 L83 V156 E157 E158 A164 | Y9-F160 HydrophobicContact CD2-CD1 4.33Å; Y9-F160 HydrophobicContact CE2-CD1 4.49Å; Y9-F160 PolarHBondContact OH-O 3.39Å; I11-F160 HydrophobicContact CD1-CE1 4.32Å; I11-F160 HydrophobicContact CD1-CZ 4.05Å; F26-F160 HydrophobicContact CB-CD2 4.04Å; F26-F160 HydrophobicContact CB-CE1 4.46Å; F26-F160 HydrophobicContact CB-CE2 3.77Å; F26-F160 HydrophobicContact CB-CG 4.47Å; F26-F160 HydrophobicContact CB-CZ 4Å; F26-F160 HydrophobicContact CD1-CB 4.46Å; F26-F160 AromaticContact CD1-CD1 3.72Å; F26-F160 HydrophobicContact CD1-CD1 3.72Å; F26-F160 HydrophobicContact CD1-CD2 4.35Å; F26-F160 AromaticContact CD1-CE1 3.95Å; F26-F160 HydrophobicContact CD1-CE1 3.95Å; F26-F160 AromaticContact CD1-CG 3.93Å; F26-F160 HydrophobicContact CD1-CG 3.93Å; F26-F160 HydrophobicContact CD1-CZ 4.33Å; F26-F160 HydrophobicContact CD2-CB 3.86Å; F26-F160 HydrophobicContact CD2-CD1 4.41Å; F26-F160 AromaticContact CD2-CD2 3.8Å; F26-F160 HydrophobicContact CD2-CD2 3.8Å; F26-F160 HydrophobicContact CD2-CE2 4.41Å; F26-F160 AromaticContact CD2-CG 3.77Å; F26-F160 HydrophobicContact CD2-CG 3.77Å; F26-F160 HydrophobicContact CE1-CB 4.15Å; F26-F160 AromaticContact CE1-CD1 3.84Å; F26-F160 HydrophobicContact CE1-CD1 3.84Å; F26-F160 HydrophobicContact CE1-CE1 4.47Å; F26-F160 HydrophobicContact CE1-CG 4.05Å; F26-F160 HydrophobicContact CE2-CB 3.52Å; F26-F160 HydrophobicContact CE2-CD2 4.36Å; F26-F160 AromaticContact CE2-CG 3.92Å; F26-F160 HydrophobicContact CE2-CG 3.92Å; F26-F160 HydrophobicContact CG-CB 4.33Å; F26-F160 HydrophobicContact CG-CD1 4.02Å; F26-F160 AromaticContact CG-CD2 3.8Å; F26-F160 HydrophobicContact CG-CD2 3.8Å; F26-F160 HydrophobicContact CG-CE1 4.23Å; F26-F160 HydrophobicContact CG-CE2 4Å; F26-F160 AromaticContact CG-CG 3.79Å; F26-F160 HydrophobicContact CG-CG 3.79Å; F26-F160 HydrophobicContact CG-CZ 4.21Å; F26-F160 HydrophobicContact CZ-CB 3.68Å; F26-F160 HydrophobicContact CZ-CD1 4.27Å; F26-F160 HydrophobicContact CZ-CG 4.06Å; L57-F160 HydrophobicContact CD1-CB 4.42Å; I59-F160 HydrophobicContact CD1-CD1 3.84Å; I59-F160 HydrophobicContact CD1-CE1 3.66Å; I59-F160 HydrophobicContact CG1-CE1 4.29Å; I59-F160 HydrophobicContact CG2-CE1 4.24Å; L83-F160 HydrophobicContact CD1-CD1 3.79Å; L83-F160 HydrophobicContact CD1-CD2 3.99Å; L83-F160 HydrophobicContact CD1-CE1 3.39Å; L83-F160 HydrophobicContact CD1-CE2 3.67Å; L83-F160 HydrophobicContact CD1-CG 4.09Å; L83-F160 HydrophobicContact CD1-CZ 3.35Å; V156-F160 HydrophobicContact CG1-CE2 4.31Å; V156-F160 VanDerWaalsContact O-CD2 3.22Å; V156-F160 WeakPolarHBondContact O-CD2 3.34Å; E157-F160 PolarHBondContact O-N 3.02Å; E158-F160 PolarHBondContact O-N 2.84Å; F160-A164 PolarHBondContact O-N 2.92Å |
| 161 | I | 97.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68 | -44.2 | -179 | -68.7 | -178.1 | 0 | 0 | 0 | 111.3 | I48 E157 E158 T163 A164 K165 | I48-I161 HydrophobicContact CD1-CG1 4.48Å; E157-I161 HydrophobicContact CG-CD1 3.64Å; E157-I161 HydrophobicContact CG-CG1 4.36Å; E157-I161 WeakPolarHBondContact O-CB 3.4Å; E157-I161 WeakPolarHBondContact O-CG1 3.38Å; E157-I161 PolarHBondContact O-N 2.92Å; E158-I161 PolarHBondContact O-N 3.45Å; I161-T163 VanDerWaalsContact C-N 3.33Å; I161-T163 PolarHBondContact O-N 2.82Å; I161-A164 WeakPolarHBondContact O-CA 3.42Å; I161-A164 WeakPolarHBondContact O-CB 3.33Å; I161-A164 PolarHBondContact O-N 2.85Å; I161-K165 HydrophobicContact CG2-CD 4.24Å; I161-K165 HydrophobicContact CG2-CG 4.35Å; I161-K165 WeakPolarHBondContact O-CG 3.39Å; I161-K165 PolarHBondContact O-N 3.44Å |
| 162 | N | 98 | Very high | 96.5 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.8 | -38.7 | -179.4 | -70 | -5.4 | 0 | 0 | 0 | 111.2 | M115 E158 A164 K165 E166 | M115-N162 HydrophobicContact CE-CB 4.06Å; E158-N162 WeakPolarHBondContact O-CB 3.43Å; E158-N162 PolarHBondContact O-N 2.9Å; N162-A164 PolarHBondContact O-N 2.71Å; N162-K165 PolarHBondContact O-N 3.14Å; N162-E166 VanDerWaalsContact O-CG 3.28Å; N162-E166 WeakPolarHBondContact O-CG 3.3Å; N162-E166 PolarHBondContact O-N 3.44Å; N162-E166 VanDerWaalsContact O-N 3.08Å |
| 163 | T | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.4 | -38.6 | 170.8 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | Y9 L83 V113 M115 A159 I161 E166 I167 | Y9-T163 HydrophobicContact CE1-CG2 4.48Å; Y9-T163 HydrophobicContact CE2-CG2 3.74Å; Y9-T163 WeakPolarHBondContact OH-CB 3.34Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.44Å; L83-T163 HydrophobicContact CD2-CG2 4.37Å; V113-T163 HydrophobicContact CG1-CG2 4.05Å; M115-T163 VanDerWaalsContact CB-OG1 3.3Å; M115-T163 WeakPolarHBondContact CB-OG1 3.15Å; A159-T163 PolarHBondContact O-N 2.68Å; A159-T163 PolarHBondContact O-OG1 3.44Å; I161-T163 VanDerWaalsContact C-N 3.33Å; I161-T163 PolarHBondContact O-N 2.82Å; T163-E166 PolarHBondContact O-N 3.37Å; T163-I167 HydrophobicContact CG2-CD1 4.3Å; T163-I167 WeakPolarHBondContact O-CG1 3.47Å; T163-I167 PolarHBondContact O-N 3.42Å; T163-I167 VanDerWaalsContact O-N 3.15Å |
| 164 | A | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.3 | -35.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | F7 Y9 I48 I50 L57 F160 I161 N162 E166 I167 Y168 | F7-A164 HydrophobicContact CD2-CB 4.23Å; F7-A164 HydrophobicContact CE2-CB 4.36Å; Y9-A164 WeakPolarHBondContact OH-CA 3.44Å; Y9-A164 WeakPolarHBondContact OH-CB 3.23Å; Y9-A164 PolarHBondContact OH-N 3.27Å; I48-A164 HydrophobicContact CD1-CB 3.57Å; I50-A164 HydrophobicContact CD1-CB 3.46Å; I50-A164 VanDerWaalsContact CD1-CB 3.46Å; L57-A164 HydrophobicContact CD2-CB 4.15Å; F160-A164 PolarHBondContact O-N 2.92Å; I161-A164 WeakPolarHBondContact O-CA 3.42Å; I161-A164 WeakPolarHBondContact O-CB 3.33Å; I161-A164 PolarHBondContact O-N 2.85Å; N162-A164 PolarHBondContact O-N 2.71Å; A164-E166 VanDerWaalsContact C-N 3.33Å; A164-I167 PolarHBondContact O-N 3.09Å; A164-Y168 VanDerWaalsContact O-CB 3.31Å; A164-Y168 WeakPolarHBondContact O-CB 3.19Å; A164-Y168 PolarHBondContact O-N 3.06Å |
| 165 | K | 97.4 | Very high | 94.7 | Very high | 87 Ų | 87 | 48 Ų | 48 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.3 | -46.1 | 172.9 | -73.1 | 177.1 | 175.9 | 175.9 | 0 | 110.6 | I50 I161 N162 I167 Y168 E169 | I50-K165 HydrophobicContact CD1-CB 4.46Å; I50-K165 HydrophobicContact CD1-CG 3.78Å; I50-K165 HydrophobicContact CG1-CG 4.32Å; I50-K165 HydrophobicContact CG2-CG 4.08Å; I161-K165 HydrophobicContact CG2-CD 4.24Å; I161-K165 HydrophobicContact CG2-CG 4.35Å; I161-K165 WeakPolarHBondContact O-CG 3.39Å; I161-K165 PolarHBondContact O-N 3.44Å; N162-K165 PolarHBondContact O-N 3.14Å; K165-I167 PolarHBondContact O-N 2.85Å; K165-Y168 CarbonylContact O-C 3.57Å; K165-Y168 WeakPolarHBondContact O-CA 3.34Å; K165-Y168 WeakPolarHBondContact O-CB 3.45Å; K165-Y168 PolarHBondContact O-N 2.91Å; K165-E169 WeakPolarHBondContact O-CG 3.24Å; K165-E169 PolarHBondContact O-N 3.3Å |
| 166 | E | 96.7 | Very high | 93.8 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 34% | 0.341 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.6 | -36.7 | -179.4 | -67.8 | -71.3 | -171.4 | 0 | 0 | 113 | V113 I144 N162 T163 A164 Y168 K170 | V113-E166 HydrophobicContact CG1-CB 3.86Å; V113-E166 HydrophobicContact CG2-CB 4.38Å; I144-E166 HydrophobicContact CD1-CB 4.07Å; I144-E166 HydrophobicContact CD1-CG 3.65Å; N162-E166 VanDerWaalsContact O-CG 3.28Å; N162-E166 WeakPolarHBondContact O-CG 3.3Å; N162-E166 PolarHBondContact O-N 3.44Å; N162-E166 VanDerWaalsContact O-N 3.08Å; T163-E166 PolarHBondContact O-N 3.37Å; A164-E166 VanDerWaalsContact C-N 3.33Å; E166-Y168 VanDerWaalsContact C-N 3.34Å; E166-K170 WeakPolarHBondContact O-CG 3.3Å; E166-K170 PolarHBondContact O-N 2.91Å; E166-K170 VanDerWaalsContact O-N 3.13Å |
| 167 | I | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 170.3 | -65.7 | 164.2 | 0 | 0 | 0 | 110.4 | F7 Y9 A80 V113 T163 A164 K165 K170 I171 F176 I185 | F7-I167 HydrophobicContact CD1-CG2 4.07Å; F7-I167 HydrophobicContact CD2-CB 4.25Å; F7-I167 HydrophobicContact CD2-CD1 4.33Å; F7-I167 HydrophobicContact CD2-CG2 3.99Å; F7-I167 HydrophobicContact CE1-CG2 3.86Å; F7-I167 HydrophobicContact CE2-CB 3.99Å; F7-I167 HydrophobicContact CE2-CG2 3.76Å; F7-I167 HydrophobicContact CG-CG2 4.15Å; F7-I167 HydrophobicContact CZ-CB 4.36Å; F7-I167 HydrophobicContact CZ-CG2 3.71Å; Y9-I167 HydrophobicContact CD1-CD1 4.44Å; Y9-I167 HydrophobicContact CE1-CD1 3.46Å; Y9-I167 VanDerWaalsContact CE1-CD1 3.46Å; A80-I167 HydrophobicContact CB-CD1 4.06Å; A80-I167 HydrophobicContact CB-CG2 4.25Å; A80-I167 WeakPolarHBondContact O-CD1 3.33Å; V113-I167 HydrophobicContact CB-CD1 4.39Å; V113-I167 HydrophobicContact CB-CG1 3.7Å; V113-I167 HydrophobicContact CG1-CG1 4.46Å; V113-I167 HydrophobicContact CG2-CB 4.47Å; V113-I167 HydrophobicContact CG2-CG1 3.55Å; T163-I167 HydrophobicContact CG2-CD1 4.3Å; T163-I167 WeakPolarHBondContact O-CG1 3.47Å; T163-I167 PolarHBondContact O-N 3.42Å; T163-I167 VanDerWaalsContact O-N 3.15Å; A164-I167 PolarHBondContact O-N 3.09Å; K165-I167 PolarHBondContact O-N 2.85Å; I167-K170 PolarHBondContact O-N 3.39Å; I167-I171 HydrophobicContact CG2-CD1 4.28Å; I167-I171 WeakPolarHBondContact O-CG1 3.32Å; I167-I171 PolarHBondContact O-N 3.08Å; I167-I171 VanDerWaalsContact O-N 3.08Å; I167-F176 HydrophobicContact CG2-CE2 4.14Å; I167-I185 HydrophobicContact CG2-CD1 4.07Å; I167-I185 HydrophobicContact CG2-CG1 4.32Å |
| 168 | Y | 94.7 | Very high | 91.5 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 8% | 0.078 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | -179.6 | -178 | -106.3 | 0 | 0 | 0 | 112.4 | Y5 I50 D51 I55 A164 K165 E166 I171 Q172 | Y5-Y168 HydrophobicContact CD2-CD2 4.37Å; Y5-Y168 HydrophobicContact CD2-CE2 4.22Å; Y5-Y168 HydrophobicContact CE2-CD2 4.27Å; Y5-Y168 AromaticContact CE2-CE2 3.78Å; Y5-Y168 HydrophobicContact CE2-CE2 3.78Å; I50-Y168 HydrophobicContact CG2-CD1 3.9Å; I50-Y168 HydrophobicContact CG2-CE1 4.4Å; I50-Y168 HydrophobicContact CG2-CG 4.26Å; D51-Y168 HydrophobicContact CB-CE1 4.28Å; I55-Y168 HydrophobicContact CD1-CD2 4.22Å; A164-Y168 VanDerWaalsContact O-CB 3.31Å; A164-Y168 WeakPolarHBondContact O-CB 3.19Å; A164-Y168 PolarHBondContact O-N 3.06Å; K165-Y168 CarbonylContact O-C 3.57Å; K165-Y168 WeakPolarHBondContact O-CA 3.34Å; K165-Y168 WeakPolarHBondContact O-CB 3.45Å; K165-Y168 PolarHBondContact O-N 2.91Å; E166-Y168 VanDerWaalsContact C-N 3.34Å; Y168-I171 WeakPolarHBondContact O-CB 3.11Å; Y168-I171 PolarHBondContact O-N 2.99Å; Y168-I171 VanDerWaalsContact O-N 3.12Å; Y168-Q172 HydrophobicContact CD1-CG 4.44Å; Y168-Q172 HydrophobicContact CE1-CG 4.11Å; Y168-Q172 WeakPolarHBondContact O-CG 3.47Å; Y168-Q172 PolarHBondContact O-N 3.5Å |
| 169 | E | 94.1 | Very high | 90.3 | Very high | 93 Ų | 93 | 51.6 Ų | 51.6 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 174.7 | -73.9 | 176.1 | -158.8 | 0 | 0 | 111 | K165 I171 Q172 E173 | K165-E169 WeakPolarHBondContact O-CG 3.24Å; K165-E169 PolarHBondContact O-N 3.3Å; E169-I171 PolarHBondContact O-N 3.16Å; E169-Q172 WeakPolarHBondContact O-CA 3.47Å; E169-Q172 WeakPolarHBondContact O-CB 3.27Å; E169-Q172 PolarHBondContact O-N 2.69Å; E169-E173 WeakPolarHBondContact O-CG 3.36Å; E169-E173 PolarHBondContact O-N 2.7Å |
| 170 | K | 92.1 | Very high | 89.3 | Confident | 58 Ų | 58 | 55 Ų | 55 | 25% | 0.252 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.2 | -30.4 | 173.6 | -75.8 | -173.6 | -179.2 | -170.2 | 0 | 113.9 | N111 V113 E166 I167 G174 V175 F176 | N111-K170 PolarHBondContact O-NZ 3.06Å; N111-K170 VanDerWaalsContact O-NZ 3.14Å; V113-K170 HydrophobicContact CG2-CD 3.86Å; E166-K170 WeakPolarHBondContact O-CG 3.3Å; E166-K170 PolarHBondContact O-N 2.91Å; E166-K170 VanDerWaalsContact O-N 3.13Å; I167-K170 PolarHBondContact O-N 3.39Å; K170-G174 PolarHBondContact O-N 2.96Å; K170-V175 HydrophobicContact CB-CB 4.16Å; K170-V175 HydrophobicContact CD-CG1 4.47Å; K170-V175 WeakPolarHBondContact O-CB 3.23Å; K170-V175 PolarHBondContact O-N 2.88Å; K170-F176 HydrophobicContact CB-CD2 3.54Å; K170-F176 HydrophobicContact CB-CE2 3.6Å; K170-F176 HydrophobicContact CD-CD2 4.45Å; K170-F176 HydrophobicContact CD-CE2 3.76Å; K170-F176 HydrophobicContact CD-CZ 4.42Å; K170-F176 HydrophobicContact CG-CE2 4.35Å; K170-F176 PolarHBondContact O-N 3.03Å |
| 171 | I | 90.1 | Very high | 88 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.4 | -44.3 | 171.8 | -67.5 | 164.6 | 0 | 0 | 0 | 110.2 | Y5 F7 I167 Y168 E169 E173 G174 F176 I178 I185 | Y5-I171 HydrophobicContact CD1-CD1 4.4Å; Y5-I171 HydrophobicContact CE1-CD1 4.46Å; Y5-I171 HydrophobicContact CE1-CG2 4.42Å; F7-I171 HydrophobicContact CE1-CD1 3.56Å; F7-I171 HydrophobicContact CZ-CD1 3.71Å; I167-I171 HydrophobicContact CG2-CD1 4.28Å; I167-I171 WeakPolarHBondContact O-CG1 3.32Å; I167-I171 PolarHBondContact O-N 3.08Å; I167-I171 VanDerWaalsContact O-N 3.08Å; Y168-I171 WeakPolarHBondContact O-CB 3.11Å; Y168-I171 PolarHBondContact O-N 2.99Å; Y168-I171 VanDerWaalsContact O-N 3.12Å; E169-I171 PolarHBondContact O-N 3.16Å; I171-E173 VanDerWaalsContact C-N 3.27Å; I171-E173 PolarHBondContact O-N 3.18Å; I171-G174 PolarHBondContact O-N 2.63Å; I171-F176 HydrophobicContact CG1-CB 3.96Å; I171-F176 HydrophobicContact CG1-CD2 4.05Å; I171-F176 HydrophobicContact CG1-CG 4.4Å; I171-I178 HydrophobicContact CG1-CG2 4.27Å; I171-I178 HydrophobicContact CG2-CG2 3.68Å; I171-I185 HydrophobicContact CD1-CD1 3.81Å; I171-I185 HydrophobicContact CD1-CG1 4.36Å; I171-I185 HydrophobicContact CD1-CG2 3.97Å; I171-I185 HydrophobicContact CG1-CD1 3.89Å |
| 172 | Q | 89.9 | Confident | 86.8 | Confident | 114 Ų | 114 | 61.1 Ų | 61.1 | 53% | 0.533 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.8 | -34.3 | 178.7 | -60.5 | -45.9 | -68.3 | 0 | 0 | 112.2 | Y168 E169 G174 | Y168-Q172 HydrophobicContact CD1-CG 4.44Å; Y168-Q172 HydrophobicContact CE1-CG 4.11Å; Y168-Q172 WeakPolarHBondContact O-CG 3.47Å; Y168-Q172 PolarHBondContact O-N 3.5Å; E169-Q172 WeakPolarHBondContact O-CA 3.47Å; E169-Q172 WeakPolarHBondContact O-CB 3.27Å; E169-Q172 PolarHBondContact O-N 2.69Å; Q172-G174 PolarHBondContact O-N 3.03Å |
| 173 | E | 90.7 | Very high | 85.9 | Confident | 145 Ų | 145 | 59 Ų | 59 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7.1 | 174.8 | -66.5 | 178.7 | 167.8 | 0 | 0 | 113.6 | E169 I171 V175 | E169-E173 WeakPolarHBondContact O-CG 3.36Å; E169-E173 PolarHBondContact O-N 2.7Å; I171-E173 VanDerWaalsContact C-N 3.27Å; I171-E173 PolarHBondContact O-N 3.18Å; E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 HydrophobicContact CB-CG2 4.02Å; E173-V175 PolarHBondContact O-N 2.71Å |
| 174 | G | 84.8 | Confident | 84.9 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 62% | 0.619 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 14.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K170 I171 Q172 F176 | K170-G174 PolarHBondContact O-N 2.96Å; I171-G174 PolarHBondContact O-N 2.63Å; Q172-G174 PolarHBondContact O-N 3.03Å; G174-F176 VanDerWaalsContact C-N 3.33Å |
| 175 | V | 82.4 | Confident | 84.2 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | trans | -70.1 | -32.9 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | N111 K170 E173 | N111-V175 HydrophobicContact CB-CG1 4.34Å; N111-V175 PolarHBondContact ND2-O 3.26Å; N111-V175 VanDerWaalsContact ND2-O 3.13Å; K170-V175 HydrophobicContact CB-CB 4.16Å; K170-V175 HydrophobicContact CD-CG1 4.47Å; K170-V175 WeakPolarHBondContact O-CB 3.23Å; K170-V175 PolarHBondContact O-N 2.88Å; E173-V175 VanDerWaalsContact C-N 3.3Å; E173-V175 HydrophobicContact CB-CG2 4.02Å; E173-V175 PolarHBondContact O-N 2.71Å | ||
| 176 | F | 78.3 | Confident | 83.7 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -97.2 | 121.2 | 173 | -76 | -68.6 | 0 | 0 | 0 | 111.3 | N111 I167 K170 I171 G174 I178 N183 I185 | N111-F176 HydrophobicContact CB-CD1 4.22Å; N111-F176 HydrophobicContact CB-CE1 3.63Å; N111-F176 HydrophobicContact CB-CZ 3.94Å; N111-F176 WeakPolarHBondContact O-CZ 3.4Å; I167-F176 HydrophobicContact CG2-CE2 4.14Å; K170-F176 HydrophobicContact CB-CD2 3.54Å; K170-F176 HydrophobicContact CB-CE2 3.6Å; K170-F176 HydrophobicContact CD-CD2 4.45Å; K170-F176 HydrophobicContact CD-CE2 3.76Å; K170-F176 HydrophobicContact CD-CZ 4.42Å; K170-F176 HydrophobicContact CG-CE2 4.35Å; K170-F176 PolarHBondContact O-N 3.03Å; I171-F176 HydrophobicContact CG1-CB 3.96Å; I171-F176 HydrophobicContact CG1-CD2 4.05Å; I171-F176 HydrophobicContact CG1-CG 4.4Å; G174-F176 VanDerWaalsContact C-N 3.33Å; F176-I178 PolarHBondContact O-N 2.79Å; F176-I178 VanDerWaalsContact O-N 3.14Å; F176-N183 HydrophobicContact CD1-CB 4.07Å; F176-I185 HydrophobicContact CB-CD1 3.7Å; F176-I185 HydrophobicContact CD1-CD1 3.66Å; F176-I185 HydrophobicContact CD2-CD1 3.77Å; F176-I185 HydrophobicContact CE1-CD1 4.16Å; F176-I185 HydrophobicContact CE2-CD1 4.25Å; F176-I185 HydrophobicContact CG-CD1 3.44Å; F176-I185 VanDerWaalsContact CG-CD1 3.44Å; F176-I185 HydrophobicContact CZ-CD1 4.42Å |
| 177 | D | 74.4 | Confident | 83.2 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | trans | -72.9 | 103.2 | 163.4 | -178.6 | 4.7 | 0 | 0 | 0 | 109.2 | N179 N180 N183 | D177-N179 PolarHBondContact O-N 3.44Å; D177-N179 WeakPolarHBondContact OD1-CB 3.12Å; D177-N179 PolarHBondContact OD1-N 2.75Å; D177-N179 PolarHBondContact OD1-ND2 2.8Å; D177-N180 HydrophobicContact CB-CB 4.2Å; D177-N180 PolarHBondContact O-N 3.03Å; D177-N180 VanDerWaalsContact O-N 3.14Å; D177-N183 PolarHBondContact O-ND2 3.11Å | ||
| 178 | I | 73.7 | Confident | 82.4 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.2 | -179.4 | 56.2 | 177.8 | 0 | 0 | 0 | 113.7 | I171 F176 I185 I187 | I171-I178 HydrophobicContact CG1-CG2 4.27Å; I171-I178 HydrophobicContact CG2-CG2 3.68Å; F176-I178 PolarHBondContact O-N 2.79Å; F176-I178 VanDerWaalsContact O-N 3.14Å; I178-I185 HydrophobicContact CG2-CG2 4.4Å; I178-I187 HydrophobicContact CB-CD1 4.11Å; I178-I187 HydrophobicContact CB-CG1 4.29Å; I178-I187 HydrophobicContact CD1-CD1 3.79Å; I178-I187 HydrophobicContact CG1-CD1 4.02Å |
| 179 | N | 73.9 | Confident | 81.3 | Confident | 131 Ų | 131 | 63.7 Ų | 63.7 | 70% | 0.701 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.7 | 174.8 | -56.8 | -60.9 | 0 | 0 | 0 | 112.3 | D177 E181 | D177-N179 PolarHBondContact O-N 3.44Å; D177-N179 WeakPolarHBondContact OD1-CB 3.12Å; D177-N179 PolarHBondContact OD1-N 2.75Å; D177-N179 PolarHBondContact OD1-ND2 2.8Å; N179-E181 PolarHBondContact O-N 2.83Å |
| 180 | N | 76.3 | Confident | 79.9 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | trans | -93.2 | 98.8 | 177.5 | -173.4 | -5.6 | 0 | 0 | 0 | 110.5 | D177 A182 N183 | D177-N180 HydrophobicContact CB-CB 4.2Å; D177-N180 PolarHBondContact O-N 3.03Å; D177-N180 VanDerWaalsContact O-N 3.14Å; N180-A182 PolarHBondContact O-N 3.31Å; N180-A182 WeakPolarHBondContact OD1-CB 3.3Å; N180-A182 PolarHBondContact OD1-N 3.29Å; N180-N183 WeakPolarHBondContact O-CB 3.48Å; N180-N183 PolarHBondContact O-N 2.91Å | ||
| 181 | E | 70.4 | Confident | 78.2 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -58 | -18.1 | 178.1 | -65.2 | -155.4 | 146.6 | 0 | 0 | 113.7 | N179 N183 G184 K186 | N179-E181 PolarHBondContact O-N 2.83Å; E181-N183 PolarHBondContact O-N 3.3Å; E181-N183 VanDerWaalsContact O-N 3.12Å; E181-G184 PolarHBondContact O-N 3.24Å; E181-K186 IonicContact OE1-NZ 3.61Å; E181-K186 PolarHBondContact OE1-NZ 2.87Å; E181-K186 IonicContact OE2-NZ 3.82Å; E181-K186 PolarHBondContact OE2-NZ 2.78Å |
| 182 | A | 73.9 | Confident | 76.2 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -66.2 | -8.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G78 N180 | G78-A182 VanDerWaalsContact CA-O 3.24Å; G78-A182 WeakPolarHBondContact CA-O 3.22Å; N180-A182 PolarHBondContact O-N 3.31Å; N180-A182 WeakPolarHBondContact OD1-CB 3.3Å; N180-A182 PolarHBondContact OD1-N 3.29Å |
| 183 | N | 78.9 | Confident | 74.1 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.043 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -87.2 | -5.9 | 177.7 | -63.9 | -15.8 | 0 | 0 | 0 | 113.5 | A80 N109 F176 D177 N180 E181 I185 | A80-N183 WeakPolarHBondContact CB-O 3.12Å; N109-N183 PolarHBondContact ND2-OD1 2.88Å; F176-N183 HydrophobicContact CD1-CB 4.07Å; D177-N183 PolarHBondContact O-ND2 3.11Å; N180-N183 WeakPolarHBondContact O-CB 3.48Å; N180-N183 PolarHBondContact O-N 2.91Å; E181-N183 PolarHBondContact O-N 3.3Å; E181-N183 VanDerWaalsContact O-N 3.12Å; N183-I185 PolarHBondContact O-N 3.13Å |
| 184 | G | 78.1 | Confident | 71.8 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 6% | 0.062 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 75.4 | 13 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K8 G78 E181 | K8-G184 PolarHBondContact N-O 3.34Å; G78-G184 WeakPolarHBondContact O-CA 3.5Å; G78-G184 PolarHBondContact O-N 2.94Å; E181-G184 PolarHBondContact O-N 3.24Å |
| 185 | I | 83.1 | Confident | 69.5 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.6 | 177.2 | -61.7 | 159.1 | 0 | 0 | 0 | 107.2 | Y5 L6 F7 A80 I167 I171 F176 I178 N183 | Y5-I185 HydrophobicContact CD1-CG2 4.09Å; L6-I185 WeakPolarHBondContact O-CA 3.35Å; F7-I185 HydrophobicContact CD1-CB 4.45Å; F7-I185 HydrophobicContact CD1-CG1 3.93Å; F7-I185 HydrophobicContact CD1-CG2 4.17Å; F7-I185 HydrophobicContact CE1-CG1 4.1Å; F7-I185 HydrophobicContact CE1-CG2 3.94Å; A80-I185 HydrophobicContact CB-CD1 4.45Å; A80-I185 HydrophobicContact CB-CG1 3.84Å; I167-I185 HydrophobicContact CG2-CD1 4.07Å; I167-I185 HydrophobicContact CG2-CG1 4.32Å; I171-I185 HydrophobicContact CD1-CD1 3.81Å; I171-I185 HydrophobicContact CD1-CG1 4.36Å; I171-I185 HydrophobicContact CD1-CG2 3.97Å; I171-I185 HydrophobicContact CG1-CD1 3.89Å; F176-I185 HydrophobicContact CB-CD1 3.7Å; F176-I185 HydrophobicContact CD1-CD1 3.66Å; F176-I185 HydrophobicContact CD2-CD1 3.77Å; F176-I185 HydrophobicContact CE1-CD1 4.16Å; F176-I185 HydrophobicContact CE2-CD1 4.25Å; F176-I185 HydrophobicContact CG-CD1 3.44Å; F176-I185 VanDerWaalsContact CG-CD1 3.44Å; F176-I185 HydrophobicContact CZ-CD1 4.42Å; I178-I185 HydrophobicContact CG2-CG2 4.4Å; N183-I185 PolarHBondContact O-N 3.13Å |
| 186 | K | 86.3 | Confident | 67.4 | Low | 85 Ų | 85 | 73.4 Ų | 73.4 | 37% | 0.37 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134 | 171 | -60.1 | -169.2 | 173.9 | -128.5 | 0 | 110.4 | Y5 L6 E181 G188 | Y5-K186 CarbonylContact C-O 3.51Å; Y5-K186 WeakPolarHBondContact CA-O 3.25Å; L6-K186 HydrophobicContact CB-CB 4.23Å; L6-K186 PolarHBondContact N-O 3.24Å; L6-K186 PolarHBondContact O-N 3.05Å; E181-K186 IonicContact OE1-NZ 3.61Å; E181-K186 PolarHBondContact OE1-NZ 2.87Å; E181-K186 IonicContact OE2-NZ 3.82Å; E181-K186 PolarHBondContact OE2-NZ 2.78Å; K186-G188 PolarHBondContact O-N 3.23Å |
| 187 | I | 84.9 | Confident | 65.3 | Low | 70 Ų | 70 | 79.6 Ų | 79.6 | 36% | 0.359 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125.4 | 172.6 | -56.2 | 177.5 | 0 | 0 | 0 | 107.9 | I178 H191 | I178-I187 HydrophobicContact CB-CD1 4.11Å; I178-I187 HydrophobicContact CB-CG1 4.29Å; I178-I187 HydrophobicContact CD1-CD1 3.79Å; I178-I187 HydrophobicContact CG1-CD1 4.02Å; I187-H191 HydrophobicContact CG2-CB 3.23Å |
| 188 | G | 79.9 | Confident | 63.7 | Low | 6 Ų | 6 | 82.9 Ų | 82.9 | 6% | 0.062 | 47% | 0.469 | C | S | . | . | trans | -85.2 | 168.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y3 A4 K186 Q190 H191 | Y3-G188 VanDerWaalsContact CE2-CA 3.4Å; Y3-G188 CarbonylContact O-C 3.56Å; Y3-G188 WeakPolarHBondContact O-CA 3.28Å; A4-G188 PolarHBondContact O-N 2.58Å; K186-G188 PolarHBondContact O-N 3.23Å; G188-Q190 PolarHBondContact O-N 3.12Å; G188-H191 PolarHBondContact O-N 3.28Å; G188-H191 VanDerWaalsContact O-N 3.16Å | ||
| 189 | P | 71.9 | Confident | 61.9 | Low | 109 Ų | 109 | 86.5 Ų | 86.5 | 71% | 0.708 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4.3 | -172.3 | 25.1 | -33.6 | 0 | 0 | 0 | 114.9 | A2 | A2-P189 HydrophobicContact CB-CG 4.24Š|
| 190 | Q | 63.4 | Low | 60.3 | Low | 113 Ų | 113 | 85 Ų | 85 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -1.3 | 178.5 | -101.7 | -179.1 | 0.9 | 0 | 0 | 114.5 | A2 G188 P192 | A2-Q190 HydrophobicContact CB-CB 4.22Å; A2-Q190 HydrophobicContact CB-CG 3.52Å; A2-Q190 PolarHBondContact O-OE1 3.43Å; G188-Q190 PolarHBondContact O-N 3.12Å; Q190-P192 WeakPolarHBondContact O-CD 3.37Å |
| 191 | H | 56.1 | Low | 58.5 | Low | 57 Ų | 57 | 86.9 Ų | 86.9 | 26% | 0.264 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -77.3 | 115.9 | 175.2 | -155.3 | -74.1 | 0 | 0 | 0 | 109.3 | Y5 I187 G188 T193 | Y5-H191 AromaticContact CZ-CD2 3.73Å; Y5-H191 AromaticContact CZ-NE2 3.81Å; Y5-H191 PolarHBondContact OH-CD2 2.9Å; Y5-H191 PolarHBondContact OH-NE2 3.14Å; I187-H191 HydrophobicContact CG2-CB 3.23Å; G188-H191 PolarHBondContact O-N 3.28Å; G188-H191 VanDerWaalsContact O-N 3.16Å; H191-T193 PolarHBondContact O-N 3.22Å; H191-T193 VanDerWaalsContact O-N 3.11Å |
| 192 | P | 48.3 | Very low | 57.2 | Low | 84 Ų | 84 | 90.6 Ų | 90.6 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | trans | -62.5 | 119.4 | 169.7 | 24.9 | -29.2 | 0 | 0 | 0 | 107.4 | Q190 T194 | Q190-P192 WeakPolarHBondContact O-CD 3.37Å; P192-T194 PolarHBondContact O-N 3.26Å | ||
| 193 | T | 45.5 | Very low | 55.2 | Low | 126 Ų | 126 | 92.7 Ų | 92.7 | 77% | 0.773 | 56% | 0.559 | S | S | * | * | trans | -65 | 98.2 | 166 | 45.9 | 0 | 0 | 0 | 0 | 107.2 | H191 N195 | H191-T193 PolarHBondContact O-N 3.22Å; H191-T193 VanDerWaalsContact O-N 3.11Å; T193-N195 PolarHBondContact O-N 3.41Å | ||
| 194 | T | 43 | Very low | 52.9 | Low | 116 Ų | 116 | 96.2 Ų | 96.2 | 71% | 0.712 | 60% | 0.597 | S | S | * | * | trans | -73.5 | 75.3 | 167.2 | 44.2 | 0 | 0 | 0 | 0 | 108.8 | P192 S196 | P192-T194 PolarHBondContact O-N 3.26Å; T194-S196 VanDerWaalsContact C-N 3.28Å; T194-S196 PolarHBondContact O-N 3.11Å | ||
| 195 | N | 37.4 | Very low | 51.2 | Low | 154 Ų | 154 | 104.5 Ų | 104.5 | 82% | 0.824 | 64% | 0.635 | S | S | * | * | trans | -83.8 | 81.5 | 157 | -87.4 | -1.2 | 0 | 0 | 0 | 107.6 | T193 T197 | T193-N195 PolarHBondContact O-N 3.41Å; N195-T197 PolarHBondContact O-N 3.43Å | ||
| 196 | S | 38.2 | Very low | 49.1 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | trans | -86.3 | 92.7 | 163.7 | 55.1 | 0 | 0 | 0 | 0 | 109.5 | T194 | T194-S196 VanDerWaalsContact C-N 3.28Å; T194-S196 PolarHBondContact O-N 3.11Å | ||
| 197 | T | 34.7 | Very low | 46.9 | Very low | 136 Ų | 136 | 114.2 Ų | 114.2 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -131.5 | 92.5 | 138.5 | 27.2 | 0 | 0 | 0 | 0 | 107.6 | N195 | N195-T197 PolarHBondContact O-N 3.43Š| ||
| 198 | L | 40.5 | Very low | 44.6 | Very low | 155 Ų | 155 | 114.5 Ų | 114.5 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -64.4 | 123.3 | 154.7 | -82.8 | 125 | 0 | 0 | 0 | 108.4 | ||||
| 199 | S | 35.1 | Very low | 42.4 | Very low | 124 Ų | 124 | 118.3 Ų | 118.3 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | -136.6 | 90.9 | 144.3 | 63.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 200 | S | 40.7 | Very low | 40.8 | Very low | 98 Ų | 98 | 117 Ų | 117 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -116.1 | 108.4 | 165.4 | 57.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 201 | S | 37.4 | Very low | 39.8 | Very low | 112 Ų | 112 | 117.7 Ų | 117.7 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -169.4 | 98.8 | 149.8 | 46.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 202 | Q | 43.3 | Very low | 39.3 | Very low | 204 Ų | 204 | 124.8 Ų | 124.8 | 95% | 0.953 | 83% | 0.833 | S | S | * | * | 60.9 | 120.2 | 98.7 | -85.3 | -166.9 | 7.9 | 0 | 0 | 115.3 | |||||
| 203 | G | 31.7 | Very low | 38.9 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | trans | 172.1 | 105.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 204 | G | 32.3 | Very low | 38.6 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 85% | 0.845 | 85% | 0.852 | S | S | * | * | trans | 108.5 | 113.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 205 | Q | 41.3 | Very low | 38.3 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 86% | 0.859 | S | S | * | * | trans | -54.9 | 149.7 | 167.5 | -65.4 | 155.7 | -13.3 | 0 | 0 | 113.4 | ||||
| 206 | H | 39 | Very low | 38.4 | Very low | 191 Ų | 191 | 125.9 Ų | 125.9 | 88% | 0.884 | 86% | 0.862 | S | S | * | * | -167.4 | 147.9 | 120.3 | -107.4 | -66.7 | 0 | 0 | 0 | 113.4 | |||||
| 207 | A | 41.1 | Very low | 38.4 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 87% | 0.873 | S | S | * | * | trans | -55.2 | 161.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 208 | G | 35.3 | Very low | 38.6 | Very low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 88% | 0.875 | S | S | * | * | trans | 131.5 | 95.2 | 132.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 209 | G | 35.3 | Very low | 38.5 | Very low | 87 Ų | 87 | 125.1 Ų | 125.1 | 90% | 0.897 | 88% | 0.88 | S | S | * | * | 69.6 | 137.5 | 125 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 210 | G | 36.6 | Very low | 38.7 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 85% | 0.845 | 88% | 0.881 | S | S | * | * | trans | 123.8 | 119.7 | 137.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 211 | C | 42.9 | Very low | 38.6 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 86% | 0.858 | 90% | 0.897 | S | S | * | * | trans | -64.5 | 152.3 | 172.9 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 212 | C | 47 | Very low | 38.7 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 100% | 1.392 | 91% | 0.907 | S | S | * | * | -176.1 | 0 | 108.7 | -96.4 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 212 of 212 residues in 103 ms
(Link to these results)