| 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 | 59.6 | Low | 91.7 | Very high | 206 Ų | 206 | 40.6 Ų | 40.6 | 100% | 1.015 | 21% | 0.212 | S | C | * | . | 0 | 128.9 | 0 | -73.6 | 170.9 | -162.6 | 0 | 0 | 108.3 | |||||
| 2 | S | 86.7 | Confident | 92.1 | Very high | 71 Ų | 71 | 37.3 Ų | 37.3 | 50% | 0.497 | 20% | 0.195 | S | C | . | . | trans | -77.3 | 156 | 167 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | Y | 91.5 | Very high | 92.5 | Very high | 59 Ų | 59 | 34.5 Ų | 34.5 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | trans | -119.1 | 152.9 | 170.3 | 52.4 | -93.4 | 0 | 0 | 0 | 108.7 | Y5 L6 Q54 K56 G188 | Y3-Y5 VanDerWaalsContact CD2-C 3.43Å; Y3-Y5 VanDerWaalsContact CD2-O 3.31Å; Y3-Y5 WeakPolarHBondContact CD2-O 3.42Å; Y3-L6 HydrophobicContact CD2-CB 4.14Å; Y3-L6 HydrophobicContact CE2-CB 3.64Å; Y3-L6 HydrophobicContact CE2-CD1 4.45Å; Y3-Q54 CarbonylContact C-O 3.55Å; Y3-Q54 WeakPolarHBondContact CA-O 3.42Å; Y3-Q54 WeakPolarHBondContact CB-O 3.45Å; Y3-K56 HydrophobicContact CD1-CB 3.86Å; Y3-K56 HydrophobicContact CD1-CD 4.01Å; Y3-K56 HydrophobicContact CD2-CB 4.38Å; Y3-K56 HydrophobicContact CE1-CB 4.36Å; Y3-K56 HydrophobicContact CE1-CD 3.87Å; Y3-K56 HydrophobicContact CG-CB 3.87Å; Y3-G188 VanDerWaalsContact CE2-CA 3.46Å; Y3-G188 WeakPolarHBondContact O-CA 3.25Å | ||
| 4 | A | 92.8 | Very high | 92.7 | Very high | 27 Ų | 27 | 33.3 Ų | 33.3 | 22% | 0.223 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -78.1 | -44.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K53 Q54 G188 | A4-K53 HydrophobicContact CB-CB 4.16Å; A4-K53 HydrophobicContact CB-CD 4.29Å; A4-K53 HydrophobicContact CB-CG 4.47Å; A4-Q54 PolarHBondContact N-O 3.43Å; A4-G188 PolarHBondContact O-N 2.93Å |
| 5 | Y | 95.1 | Very high | 92.8 | Very high | 20 Ų | 20 | 34 Ų | 34 | 8% | 0.078 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.1 | -179.8 | -53.3 | -73.6 | 0 | 0 | 0 | 111.7 | Y3 F7 K53 I55 K56 H168 I171 V178 I185 K186 L187 | Y3-Y5 VanDerWaalsContact CD2-C 3.43Å; Y3-Y5 VanDerWaalsContact CD2-O 3.31Å; Y3-Y5 WeakPolarHBondContact CD2-O 3.42Å; Y5-F7 VanDerWaalsContact CB-CE1 3.46Å; Y5-F7 HydrophobicContact CD2-CZ 4.49Å; Y5-F7 HydrophobicContact CG-CE1 4Å; Y5-F7 HydrophobicContact CG-CZ 4.37Å; Y5-K53 HydrophobicContact CD2-CD 4.36Å; Y5-K53 HydrophobicContact CE2-CD 3.64Å; Y5-K53 PolarHBondContact OH-NZ 3.32Å; Y5-I55 HydrophobicContact CD2-CD1 4.42Å; Y5-I55 HydrophobicContact CD2-CG1 4.31Å; Y5-I55 CarbonylContact O-C 3.53Å; Y5-I55 WeakPolarHBondContact O-CA 3.22Å; Y5-K56 PolarHBondContact O-N 3.45Å; Y5-H168 AromaticContact CE2-CD2 3.86Å; Y5-H168 AromaticContact CE2-NE2 3.94Å; Y5-I171 HydrophobicContact CD1-CD1 4.5Å; Y5-V178 HydrophobicContact CE1-CG1 4.25Å; Y5-I185 HydrophobicContact CD1-CG2 4.29Å; Y5-K186 CarbonylContact C-O 3.6Å; Y5-K186 WeakPolarHBondContact CA-O 3.34Å; Y5-L187 HydrophobicContact CD1-CD2 3.8Å; Y5-L187 HydrophobicContact CE1-CD2 3.55Å |
| 6 | L | 95.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.1 | 164.2 | 177.8 | 165.1 | 0 | 0 | 0 | 107.9 | Y3 K8 K56 Q58 I185 K186 | Y3-L6 HydrophobicContact CD2-CB 4.14Å; Y3-L6 HydrophobicContact CE2-CB 3.64Å; Y3-L6 HydrophobicContact CE2-CD1 4.45Å; L6-K8 HydrophobicContact CD2-CG 3.82Å; L6-K56 CarbonylContact C-O 3.54Å; L6-K56 VanDerWaalsContact CA-O 3.24Å; L6-K56 WeakPolarHBondContact CA-O 3.24Å; L6-K56 HydrophobicContact CB-CB 4.42Å; L6-K56 HydrophobicContact CD1-CD 4.45Å; L6-K56 HydrophobicContact CG-CB 4.48Å; L6-Q58 HydrophobicContact CD1-CG 4.1Å; L6-Q58 HydrophobicContact CD2-CB 4.38Å; L6-Q58 HydrophobicContact CD2-CG 4.13Å; L6-Q58 HydrophobicContact CG-CG 4.1Å; L6-I185 CarbonylContact O-C 3.59Å; L6-I185 WeakPolarHBondContact O-CA 3.23Å; L6-K186 HydrophobicContact CB-CB 4.24Å; L6-K186 PolarHBondContact N-O 3.1Å; L6-K186 PolarHBondContact O-N 2.84Å |
| 7 | F | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.2 | 174.9 | -60.3 | -18.4 | 0 | 0 | 0 | 110 | Y5 Y9 I55 K56 L57 Q58 A164 I167 H168 I171 I185 | Y5-F7 VanDerWaalsContact CB-CE1 3.46Å; Y5-F7 HydrophobicContact CD2-CZ 4.49Å; Y5-F7 HydrophobicContact CG-CE1 4Å; Y5-F7 HydrophobicContact CG-CZ 4.37Å; F7-Y9 HydrophobicContact CB-CD2 4.21Å; F7-Y9 HydrophobicContact CB-CE2 3.84Å; F7-I55 HydrophobicContact CD1-CG2 4.43Å; F7-I55 HydrophobicContact CD2-CG2 3.65Å; F7-I55 HydrophobicContact CE2-CD1 3.81Å; F7-I55 HydrophobicContact CE2-CG2 3.82Å; F7-I55 HydrophobicContact CG-CG2 3.97Å; F7-I55 HydrophobicContact CZ-CD1 4.01Å; F7-I55 HydrophobicContact CZ-CG2 4.27Å; F7-K56 PolarHBondContact N-O 3.45Å; F7-L57 HydrophobicContact CB-CD2 3.88Å; F7-L57 HydrophobicContact CD2-CD2 4.11Å; F7-L57 HydrophobicContact CG-CD2 4.42Å; F7-Q58 PolarHBondContact O-N 2.9Å; F7-A164 HydrophobicContact CD2-CB 4.23Å; F7-A164 HydrophobicContact CE2-CB 4.41Å; F7-I167 HydrophobicContact CD1-CG2 4.05Å; F7-I167 HydrophobicContact CD2-CB 4.1Å; F7-I167 HydrophobicContact CD2-CD1 4.2Å; F7-I167 HydrophobicContact CD2-CG2 3.85Å; F7-I167 HydrophobicContact CE1-CG2 3.85Å; F7-I167 HydrophobicContact CE2-CB 3.86Å; F7-I167 HydrophobicContact CE2-CG2 3.63Å; F7-I167 HydrophobicContact CG-CG2 4.07Å; F7-I167 HydrophobicContact CZ-CB 4.31Å; F7-I167 HydrophobicContact CZ-CG2 3.65Å; F7-H168 HydrophobicContact CE2-CB 4.49Å; F7-H168 HydrophobicContact CZ-CB 4.43Å; F7-I171 HydrophobicContact CE1-CD1 3.57Å; F7-I171 HydrophobicContact CZ-CD1 3.67Å; F7-I185 HydrophobicContact CD1-CB 4.42Å; F7-I185 HydrophobicContact CD1-CG1 3.86Å; F7-I185 HydrophobicContact CD1-CG2 4.08Å; F7-I185 HydrophobicContact CE1-CG1 4.03Å; F7-I185 HydrophobicContact CE1-CG2 3.91Å |
| 8 | K | 97 | Very high | 93.2 | Very high | 55 Ų | 55 | 31.3 Ų | 31.3 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.3 | 174.7 | -67 | 176.4 | 176.6 | -178.1 | 0 | 110.6 | L6 Q58 G78 A80 G81 G184 | L6-K8 HydrophobicContact CD2-CG 3.82Å; K8-Q58 CarbonylContact C-O 3.57Å; K8-Q58 WeakPolarHBondContact CA-O 3.38Å; K8-G78 WeakPolarHBondContact CB-O 3.47Å; K8-G78 WeakPolarHBondContact CD-O 3.42Å; K8-A80 PolarHBondContact O-N 2.97Å; K8-G81 PolarHBondContact O-N 2.96Å; K8-G81 VanDerWaalsContact O-N 3.15Å; K8-G184 PolarHBondContact N-O 3.46Å |
| 9 | Y | 98.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.8 | -179.3 | -84.3 | -133.7 | 0 | 0 | 0 | 109.3 | F7 L57 Q58 I59 W60 G81 L83 F160 T163 A164 I167 | F7-Y9 HydrophobicContact CB-CD2 4.21Å; F7-Y9 HydrophobicContact CB-CE2 3.84Å; Y9-L57 HydrophobicContact CD2-CD2 4.28Å; Y9-L57 HydrophobicContact CE1-CD1 4.44Å; Y9-L57 HydrophobicContact CE2-CD2 3.74Å; Y9-Q58 PolarHBondContact N-O 2.94Å; Y9-I59 HydrophobicContact CG-CG1 4.39Å; Y9-W60 PolarHBondContact O-N 3.06Å; Y9-G81 VanDerWaalsContact CA-O 3.27Å; Y9-G81 WeakPolarHBondContact CA-O 3.49Å; Y9-L83 HydrophobicContact CD1-CG 4.49Å; Y9-F160 HydrophobicContact CD1-CD1 4.11Å; Y9-F160 HydrophobicContact CE1-CD1 4.26Å; Y9-F160 PolarHBondContact OH-O 2.93Å; Y9-T163 HydrophobicContact CE1-CG2 3.73Å; Y9-T163 VanDerWaalsContact OH-C 3.28Å; Y9-T163 WeakPolarHBondContact OH-CB 3.49Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.32Å; Y9-A164 WeakPolarHBondContact OH-CA 3.38Å; Y9-A164 WeakPolarHBondContact OH-CB 3.12Å; Y9-A164 PolarHBondContact OH-N 3.49Å; Y9-I167 HydrophobicContact CE2-CD1 3.68Å |
| 10 | I | 97 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.3 | 166.6 | -166.2 | 180 | 0 | 0 | 0 | 109.1 | I12 W60 T62 T72 Y76 A79 G81 A82 L83 | I10-I12 HydrophobicContact CD1-CG2 3.75Å; I10-I12 HydrophobicContact CG1-CG2 3.82Å; I10-I12 HydrophobicContact CG2-CG2 4.35Å; I10-W60 CarbonylContact C-O 3.47Å; I10-W60 WeakPolarHBondContact CA-O 3.3Å; I10-T62 HydrophobicContact CD1-CG2 3.86Å; I10-T62 HydrophobicContact CG1-CG2 3.61Å; I10-T72 HydrophobicContact CD1-CG2 4.13Å; I10-Y76 HydrophobicContact CD1-CD1 3.75Å; I10-Y76 HydrophobicContact CD1-CE1 3.9Å; I10-Y76 HydrophobicContact CD1-CG 4.46Å; I10-Y76 HydrophobicContact CG2-CD1 4.34Å; I10-A79 HydrophobicContact CB-CB 4.43Å; I10-A79 HydrophobicContact CG2-CB 3.98Å; I10-G81 PolarHBondContact N-O 2.86Å; I10-G81 VanDerWaalsContact N-O 3.09Å; I10-A82 HydrophobicContact CG2-CB 3.7Å; I10-A82 CarbonylContact O-C 3.59Å; I10-A82 VanDerWaalsContact O-CA 3.32Å; I10-A82 WeakPolarHBondContact O-CA 3.37Å; I10-L83 PolarHBondContact O-N 2.68Å |
| 11 | I | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124.4 | 171 | -45.8 | 179.8 | 0 | 0 | 0 | 107.8 | K19 L23 I59 W60 D61 T62 L83 V85 F160 | I11-K19 HydrophobicContact CB-CB 4.4Å; I11-K19 HydrophobicContact CG2-CB 3.62Å; I11-K19 HydrophobicContact CG2-CD 4Å; I11-K19 HydrophobicContact CG2-CG 3.78Å; I11-L23 HydrophobicContact CD1-CB 3.96Å; I11-I59 HydrophobicContact CD1-CG2 3.7Å; I11-I59 HydrophobicContact CG1-CG2 3.71Å; I11-W60 PolarHBondContact N-O 3.03Å; I11-D61 HydrophobicContact CD1-CB 4.44Å; I11-T62 PolarHBondContact O-N 3.15Å; I11-T62 PolarHBondContact O-OG1 3.34Å; I11-L83 HydrophobicContact CG1-CB 4.43Å; I11-L83 HydrophobicContact CG1-CD1 4.42Å; I11-L83 HydrophobicContact CG2-CB 4.18Å; I11-V85 HydrophobicContact CG2-CG2 3.66Å; I11-F160 HydrophobicContact CD1-CE1 4.27Å; I11-F160 HydrophobicContact CD1-CZ 4.03Å |
| 12 | I | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 162.1 | -175.2 | 62.6 | 176 | 0 | 0 | 0 | 111.2 | I10 K19 T72 Y76 L83 L84 V85 W100 A104 | I10-I12 HydrophobicContact CD1-CG2 3.75Å; I10-I12 HydrophobicContact CG1-CG2 3.82Å; I10-I12 HydrophobicContact CG2-CG2 4.35Å; I12-K19 VanDerWaalsContact C-CD 3.46Å; I12-T72 HydrophobicContact CG2-CG2 4.02Å; I12-Y76 HydrophobicContact CD1-CE1 3.89Å; I12-Y76 HydrophobicContact CG2-CE1 3.74Å; I12-L83 PolarHBondContact N-O 3.26Å; I12-L84 HydrophobicContact CD1-CD1 3.89Å; I12-L84 HydrophobicContact CG1-CB 4.31Å; I12-L84 HydrophobicContact CG1-CD1 3.8Å; I12-V85 PolarHBondContact O-N 3.08Å; I12-W100 HydrophobicContact CB-CE3 3.96Å; I12-W100 HydrophobicContact CB-CZ3 4.3Å; I12-A104 HydrophobicContact CD1-CB 3.9Å |
| 13 | G | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | 132.1 | 171.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K19 G64 V85 W100 | G13-K19 WeakPolarHBondContact O-CE 3.25Å; G13-K19 PolarHBondContact O-NZ 3.42Å; G13-G64 VanDerWaalsContact O-CA 3.3Å; G13-G64 WeakPolarHBondContact O-CA 3.49Å; G13-V85 WeakPolarHBondContact CA-O 3.44Å; G13-W100 VanDerWaalsContact C-CE2 3.41Å; G13-W100 VanDerWaalsContact O-CZ2 3.29Å; G13-W100 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 14 | D | 95.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 14.3 Ų | 14.3 | 10% | 0.096 | 9% | 0.092 | C | C | . | . | trans | -59.4 | 164.7 | -173.1 | -83.4 | 11.1 | 0 | 0 | 0 | 114.2 | G16 V17 K19 T93 H96 W100 | D14-G16 PolarHBondContact O-N 2.92Å; D14-V17 HydrophobicContact CB-CG1 3.78Å; D14-V17 VanDerWaalsContact O-CG2 3.27Å; D14-V17 WeakPolarHBondContact O-CG2 3.45Å; D14-K19 PolarHBondContact O-NZ 3.08Å; D14-T93 HydrophobicContact CB-CG2 3.94Å; D14-H96 IonicContact OD1-ND1 3.91Å; D14-H96 IonicContact OD2-CE1 3.88Å; D14-H96 IonicContact OD2-CG 3.53Å; D14-H96 IonicContact OD2-ND1 2.8Å; D14-H96 PolarHBondContact OD2-ND1 3.03Å; D14-W100 PolarHBondContact OD1-NE1 3.01Å | ||
| 15 | T | 94 | Very high | 96.3 | Very high | 44 Ų | 44 | 14 Ų | 14 | 27% | 0.27 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 135.9 | 171.7 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | V17 L37 G64 Q65 R90 | T15-V17 VanDerWaalsContact C-N 3.31Å; T15-V17 PolarHBondContact O-N 2.91Å; T15-L37 HydrophobicContact CG2-CD2 3.44Å; T15-L37 VanDerWaalsContact CG2-CD2 3.44Å; T15-G64 PolarHBondContact N-O 2.63Å; T15-G64 WeakPolarHBondContact OG1-CA 3.3Å; T15-G64 PolarHBondContact OG1-O 3.41Å; T15-G64 VanDerWaalsContact OG1-O 3.05Å; T15-Q65 WeakPolarHBondContact OG1-CG 3.42Å; T15-Q65 PolarHBondContact OG1-N 2.86Å; T15-R90 PolarHBondContact O-NH1 3.06Å |
| 16 | G | 93.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 13 Ų | 13 | 47% | 0.474 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 6.7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.6 | D14 G18 K120 | D14-G16 PolarHBondContact O-N 2.92Å; G16-G18 PolarHBondContact O-N 2.94Å; G16-K120 WeakPolarHBondContact O-CE 3.39Å; G16-K120 PolarHBondContact O-NZ 2.8Å |
| 17 | V | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -73.5 | -15.1 | 173.9 | -56.3 | 0 | 0 | 0 | 0 | 113.3 | D14 T15 K19 V85 D87 T93 N119 | D14-V17 HydrophobicContact CB-CG1 3.78Å; D14-V17 VanDerWaalsContact O-CG2 3.27Å; D14-V17 WeakPolarHBondContact O-CG2 3.45Å; T15-V17 VanDerWaalsContact C-N 3.31Å; T15-V17 PolarHBondContact O-N 2.91Å; V17-K19 HydrophobicContact CG2-CD 4.31Å; V17-K19 HydrophobicContact CG2-CG 3.59Å; V17-V85 HydrophobicContact CB-CG1 4.24Å; V17-V85 HydrophobicContact CG2-CB 3.89Å; V17-V85 HydrophobicContact CG2-CG1 3.77Å; V17-D87 HydrophobicContact CB-CB 4.31Å; V17-D87 HydrophobicContact CG1-CB 4.17Å; V17-T93 HydrophobicContact CG1-CG2 3.76Å; V17-N119 PolarHBondContact O-ND2 3.39Å |
| 18 | G | 96.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 18 Ų | 18 | 8% | 0.082 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 101.3 | 26.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G16 C21 L22 | G16-G18 PolarHBondContact O-N 2.94Å; G18-C21 WeakPolarHBondContact O-CB 3.36Å; G18-C21 PolarHBondContact O-N 2.9Å; G18-L22 WeakPolarHBondContact O-CG 3.47Å; G18-L22 PolarHBondContact O-N 3.39Å |
| 19 | K | 95.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.7 | -52.7 | 177.2 | -56.6 | -170.9 | -61.1 | -74.7 | 0 | 112.7 | I11 I12 G13 D14 V17 C21 L22 L23 D61 T62 V85 | I11-K19 HydrophobicContact CB-CB 4.4Å; I11-K19 HydrophobicContact CG2-CB 3.62Å; I11-K19 HydrophobicContact CG2-CD 4Å; I11-K19 HydrophobicContact CG2-CG 3.78Å; I12-K19 VanDerWaalsContact C-CD 3.46Å; G13-K19 WeakPolarHBondContact O-CE 3.25Å; G13-K19 PolarHBondContact O-NZ 3.42Å; D14-K19 PolarHBondContact O-NZ 3.08Å; V17-K19 HydrophobicContact CG2-CD 4.31Å; V17-K19 HydrophobicContact CG2-CG 3.59Å; K19-C21 VanDerWaalsContact C-N 3.3Å; K19-C21 PolarHBondContact O-N 2.97Å; K19-L22 WeakPolarHBondContact O-CB 3.37Å; K19-L22 PolarHBondContact O-N 3.39Å; K19-L22 VanDerWaalsContact O-N 3.15Å; K19-L23 PolarHBondContact O-N 3.09Å; K19-D61 WeakPolarHBondContact CB-OD1 3.39Å; K19-T62 WeakPolarHBondContact CE-O 3.09Å; K19-V85 HydrophobicContact CG-CB 4.26Å; K19-V85 HydrophobicContact CG-CG2 4.33Å |
| 20 | S | 95.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.2 | -36.5 | 176.4 | -39.9 | 0 | 0 | 0 | 0 | 112.2 | L22 L23 L24 T38 D61 | S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 3.03Å; S20-L23 PolarHBondContact O-N 3.35Å; S20-L24 VanDerWaalsContact O-CB 3.3Å; S20-L24 WeakPolarHBondContact O-CB 3.33Å; S20-L24 PolarHBondContact O-N 3.01Å; S20-T38 PolarHBondContact OG-OG1 3.06Å; S20-D61 WeakPolarHBondContact CA-OD2 3.22Å; S20-D61 WeakPolarHBondContact CB-OD2 3.32Å; S20-D61 PolarHBondContact N-OD2 2.91Å; S20-D61 PolarHBondContact OG-OD2 2.94Å |
| 21 | C | 96 | Very high | 95.6 | Very high | 16 Ų | 16 | 29.2 Ų | 29.2 | 11% | 0.108 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.7 | -46.8 | 0 | 0 | 0 | 0 | 111.6 | G18 K19 Q25 F31 H35 A150 | G18-C21 WeakPolarHBondContact O-CB 3.36Å; G18-C21 PolarHBondContact O-N 2.9Å; K19-C21 VanDerWaalsContact C-N 3.3Å; K19-C21 PolarHBondContact O-N 2.97Å; C21-Q25 WeakPolarHBondContact O-CB 3.25Å; C21-Q25 PolarHBondContact O-N 3.33Å; C21-F31 HydrophobicContact CB-CD2 4.23Å; C21-F31 HydrophobicContact CB-CE2 4.13Å; C21-H35 PolarHBondContact SG-CD2 3.42Å; C21-H35 PolarHBondContact SG-NE2 3.16Å; C21-A150 HydrophobicContact CB-CB 3.45Å; C21-A150 VanDerWaalsContact CB-CB 3.45Å |
| 22 | L | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 177.3 | -72.3 | 169.1 | 0 | 0 | 0 | 110.9 | G18 K19 S20 Q25 F26 V85 I117 N119 A150 V156 | G18-L22 WeakPolarHBondContact O-CG 3.47Å; G18-L22 PolarHBondContact O-N 3.39Å; K19-L22 WeakPolarHBondContact O-CB 3.37Å; K19-L22 PolarHBondContact O-N 3.39Å; K19-L22 VanDerWaalsContact O-N 3.15Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 3.03Å; L22-Q25 PolarHBondContact O-N 3.41Å; L22-F26 VanDerWaalsContact O-CB 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.35Å; L22-F26 PolarHBondContact O-N 2.97Å; L22-V85 HydrophobicContact CD1-CG1 3.81Å; L22-V85 HydrophobicContact CD1-CG2 3.97Å; L22-I117 HydrophobicContact CD1-CD1 4.49Å; L22-I117 HydrophobicContact CD1-CG2 4.18Å; L22-N119 HydrophobicContact CD1-CB 4.45Å; L22-A150 HydrophobicContact CD2-CB 3.99Å; L22-A150 HydrophobicContact CG-CB 4.26Å; L22-V156 HydrophobicContact CD2-CG1 4.36Å; L22-V156 HydrophobicContact CD2-CG2 3.86Å |
| 23 | L | 97.1 | Very high | 94.1 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.2 | -54.1 | 175.2 | 179.4 | 59.4 | 0 | 0 | 0 | 110.9 | I11 K19 S20 Q25 F26 T27 I59 D61 | I11-L23 HydrophobicContact CD1-CB 3.96Å; K19-L23 PolarHBondContact O-N 3.09Å; S20-L23 PolarHBondContact O-N 3.35Å; L23-Q25 VanDerWaalsContact C-N 3.31Å; L23-Q25 PolarHBondContact O-N 3.15Å; L23-F26 PolarHBondContact O-N 3.36Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L23-T27 HydrophobicContact CD1-CG2 3.84Å; L23-T27 PolarHBondContact O-N 3.11Å; L23-T27 PolarHBondContact O-OG1 3.24Å; L23-I59 HydrophobicContact CD1-CB 3.81Å; L23-I59 HydrophobicContact CD1-CD1 3.92Å; L23-I59 HydrophobicContact CD1-CG1 4.49Å; L23-I59 HydrophobicContact CD1-CG2 3.68Å; L23-D61 HydrophobicContact CB-CB 4.46Å; L23-D61 HydrophobicContact CD2-CB 3.58Å |
| 24 | L | 95.7 | Very high | 92.9 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -41.7 | -178.7 | -174.1 | 67.7 | 0 | 0 | 0 | 111.8 | S20 F26 D28 K29 R30 Q32 | S20-L24 VanDerWaalsContact O-CB 3.3Å; S20-L24 WeakPolarHBondContact O-CB 3.33Å; S20-L24 PolarHBondContact O-N 3.01Å; L24-F26 VanDerWaalsContact C-N 3.32Å; L24-F26 PolarHBondContact O-N 3.28Å; L24-D28 HydrophobicContact CD1-CB 3.98Å; L24-D28 WeakPolarHBondContact O-CA 2.91Å; L24-D28 WeakPolarHBondContact O-CB 3.36Å; L24-D28 PolarHBondContact O-N 3.12Å; L24-K29 PolarHBondContact O-N 3.31Å; L24-R30 CarbonylContact C-O 3.41Å; L24-R30 HydrophobicContact CD2-CB 4.32Å; L24-R30 HydrophobicContact CG-CB 4.24Å; L24-R30 WeakPolarHBondContact CG-O 3.39Å; L24-Q32 HydrophobicContact CD2-CB 4.39Å; L24-Q32 HydrophobicContact CD2-CG 3.94Å |
| 25 | Q | 97.2 | Very high | 91.6 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69 | -34.3 | 178.9 | -174.5 | 66 | -17 | 0 | 0 | 111.7 | C21 L22 L23 K29 R30 A150 A153 V156 | C21-Q25 WeakPolarHBondContact O-CB 3.25Å; C21-Q25 PolarHBondContact O-N 3.33Å; L22-Q25 PolarHBondContact O-N 3.41Å; L23-Q25 VanDerWaalsContact C-N 3.31Å; L23-Q25 PolarHBondContact O-N 3.15Å; Q25-K29 WeakPolarHBondContact O-CA 3.37Å; Q25-K29 PolarHBondContact O-N 3.07Å; Q25-R30 WeakPolarHBondContact CA-O 3.46Å; Q25-R30 PolarHBondContact N-O 3.33Å; Q25-R30 PolarHBondContact OE1-O 3.02Å; Q25-A150 WeakPolarHBondContact CG-O 3.17Å; Q25-A153 HydrophobicContact CG-CB 4.32Å; Q25-V156 HydrophobicContact CB-CG1 4.17Å; Q25-V156 HydrophobicContact CG-CB 4.33Å; Q25-V156 HydrophobicContact CG-CG1 4.08Å; Q25-V156 HydrophobicContact CG-CG2 4.12Å |
| 26 | F | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.8 | -44.8 | 176.1 | -179.9 | -109.8 | 0 | 0 | 0 | 112.8 | L22 L23 L24 R46 I48 L57 I59 V156 F160 | L22-F26 VanDerWaalsContact O-CB 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.35Å; L22-F26 PolarHBondContact O-N 2.97Å; L23-F26 PolarHBondContact O-N 3.36Å; L23-F26 VanDerWaalsContact O-N 3.14Å; L24-F26 VanDerWaalsContact C-N 3.32Å; L24-F26 PolarHBondContact O-N 3.28Å; F26-R46 HydrophobicContact CD1-CB 4.33Å; F26-R46 VanDerWaalsContact CD2-NH1 3.32Å; F26-R46 HydrophobicContact CE1-CB 3.67Å; F26-R46 HydrophobicContact CE1-CG 4.15Å; F26-R46 HydrophobicContact CZ-CB 4.28Å; F26-R46 HydrophobicContact CZ-CG 4.37Å; F26-R46 VanDerWaalsContact O-CD 3.23Å; F26-R46 WeakPolarHBondContact O-CD 3.42Å; F26-R46 PolarHBondContact O-NE 3.37Å; F26-R46 PolarHBondContact O-NH1 3.05Å; F26-I48 HydrophobicContact CZ-CG2 4.02Å; F26-L57 HydrophobicContact CE1-CD1 4.06Å; F26-L57 HydrophobicContact CZ-CD1 3.95Å; F26-I59 HydrophobicContact CD1-CD1 3.68Å; F26-I59 HydrophobicContact CE1-CD1 3.72Å; F26-V156 HydrophobicContact CB-CG1 4.04Å; F26-F160 HydrophobicContact CB-CD2 3.82Å; F26-F160 HydrophobicContact CB-CE2 3.57Å; F26-F160 HydrophobicContact CB-CG 4.47Å; F26-F160 HydrophobicContact CB-CZ 4.02Å; F26-F160 HydrophobicContact CD1-CB 4.42Å; F26-F160 AromaticContact CD1-CD1 3.92Å; F26-F160 HydrophobicContact CD1-CD1 3.92Å; F26-F160 HydrophobicContact CD1-CD2 4.09Å; F26-F160 HydrophobicContact CD1-CE1 4.16Å; F26-F160 HydrophobicContact CD1-CE2 4.34Å; F26-F160 AromaticContact CD1-CG 3.89Å; F26-F160 HydrophobicContact CD1-CG 3.89Å; F26-F160 HydrophobicContact CD1-CZ 4.36Å; F26-F160 HydrophobicContact CD2-CB 3.83Å; F26-F160 AromaticContact CD2-CD2 3.5Å; F26-F160 HydrophobicContact CD2-CD2 3.5Å; F26-F160 VanDerWaalsContact CD2-CD2 3.5Å; F26-F160 HydrophobicContact CD2-CE2 4.17Å; F26-F160 AromaticContact CD2-CG 3.72Å; F26-F160 HydrophobicContact CD2-CG 3.72Å; F26-F160 HydrophobicContact CE1-CB 4.06Å; F26-F160 HydrophobicContact CE1-CD1 4Å; F26-F160 AromaticContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE2-CB 3.43Å; F26-F160 VanDerWaalsContact CE2-CB 3.43Å; F26-F160 HydrophobicContact CE2-CD2 4.05Å; F26-F160 AromaticContact CE2-CG 3.83Å; F26-F160 HydrophobicContact CE2-CG 3.83Å; F26-F160 HydrophobicContact CG-CB 4.31Å; F26-F160 HydrophobicContact CG-CD1 4.2Å; F26-F160 AromaticContact CG-CD2 3.52Å; F26-F160 HydrophobicContact CG-CD2 3.52Å; F26-F160 HydrophobicContact CG-CE1 4.41Å; F26-F160 AromaticContact CG-CE2 3.78Å; F26-F160 HydrophobicContact CG-CE2 3.78Å; F26-F160 AromaticContact CG-CG 3.76Å; F26-F160 HydrophobicContact CG-CG 3.76Å; F26-F160 HydrophobicContact CG-CZ 4.22Å; F26-F160 HydrophobicContact CZ-CB 3.56Å; F26-F160 HydrophobicContact CZ-CD1 4.38Å; F26-F160 AromaticContact CZ-CG 3.94Å; F26-F160 HydrophobicContact CZ-CG 3.94Å |
| 27 | T | 96.3 | Very high | 90.3 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -81.7 | -43.3 | -175.5 | 61 | 0 | 0 | 0 | 0 | 112.7 | L23 | L23-T27 HydrophobicContact CD1-CG2 3.84Å; L23-T27 PolarHBondContact O-N 3.11Å; L23-T27 PolarHBondContact O-OG1 3.24Å |
| 28 | D | 94.7 | Very high | 89.3 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -115.3 | -6 | -165.5 | -65.2 | 19.8 | 0 | 0 | 0 | 112.9 | L24 R30 | L24-D28 HydrophobicContact CD1-CB 3.98Å; L24-D28 WeakPolarHBondContact O-CA 2.91Å; L24-D28 WeakPolarHBondContact O-CB 3.36Å; L24-D28 PolarHBondContact O-N 3.12Å; D28-R30 HydrophobicContact CB-CB 4.46Å; D28-R30 HydrophobicContact CB-CG 4.42Å; D28-R30 PolarHBondContact O-N 3.49Å; D28-R30 IonicContact OD2-CZ 3.27Å; D28-R30 IonicContact OD2-NE 3.82Å; D28-R30 IonicContact OD2-NH2 2.65Å; D28-R30 PolarHBondContact OD2-NH2 3.02Å |
| 29 | K | 94.7 | Very high | 88.4 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 45% | 0.452 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 56.4 | 36.1 | -174.8 | -51.3 | -64.4 | 170.2 | -168.8 | 0 | 112.3 | L24 Q25 E157 | L24-K29 PolarHBondContact O-N 3.31Å; Q25-K29 WeakPolarHBondContact O-CA 3.37Å; Q25-K29 PolarHBondContact O-N 3.07Å; K29-E157 IonicContact NZ-OE1 3.37Å; K29-E157 IonicContact NZ-OE2 2.77Å; K29-E157 PolarHBondContact NZ-OE2 3.24Å |
| 30 | R | 92 | Very high | 87.5 | Confident | 113 Ų | 113 | 61.5 Ų | 61.5 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | trans | -125.7 | 147.8 | 178.8 | -66.3 | -176.4 | -62.6 | 119.1 | -5.3 | 111.5 | L24 Q25 D28 | L24-R30 CarbonylContact C-O 3.41Å; L24-R30 HydrophobicContact CD2-CB 4.32Å; L24-R30 HydrophobicContact CG-CB 4.24Å; L24-R30 WeakPolarHBondContact CG-O 3.39Å; Q25-R30 WeakPolarHBondContact CA-O 3.46Å; Q25-R30 PolarHBondContact N-O 3.33Å; Q25-R30 PolarHBondContact OE1-O 3.02Å; D28-R30 HydrophobicContact CB-CB 4.46Å; D28-R30 HydrophobicContact CB-CG 4.42Å; D28-R30 PolarHBondContact O-N 3.49Å; D28-R30 IonicContact OD2-CZ 3.27Å; D28-R30 IonicContact OD2-NE 3.82Å; D28-R30 IonicContact OD2-NH2 2.65Å; D28-R30 PolarHBondContact OD2-NH2 3.02Å | ||
| 31 | F | 89.7 | Confident | 87.1 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | trans | -119.9 | 134.9 | 170.2 | 176 | -103.1 | 0 | 0 | 0 | 109.8 | C21 P33 A150 K151 | C21-F31 HydrophobicContact CB-CD2 4.23Å; C21-F31 HydrophobicContact CB-CE2 4.13Å; F31-P33 HydrophobicContact CE1-CB 3.9Å; F31-P33 HydrophobicContact CZ-CB 4.37Å; F31-A150 HydrophobicContact CD2-CB 4.21Å; F31-A150 WeakPolarHBondContact CD2-O 3.36Å; F31-A150 HydrophobicContact CE2-CB 4.34Å; F31-K151 HydrophobicContact CD1-CB 4.27Å; F31-K151 HydrophobicContact CD1-CG 3.98Å; F31-K151 HydrophobicContact CD2-CB 4.2Å; F31-K151 HydrophobicContact CE1-CB 4.08Å; F31-K151 HydrophobicContact CE1-CG 3.8Å; F31-K151 HydrophobicContact CE2-CB 4.01Å; F31-K151 HydrophobicContact CG-CB 4.33Å; F31-K151 HydrophobicContact CG-CG 4.47Å; F31-K151 HydrophobicContact CZ-CB 3.94Å; F31-K151 HydrophobicContact CZ-CG 4.15Å | ||
| 32 | Q | 86.6 | Confident | 86.9 | Confident | 83 Ų | 83 | 66.6 Ų | 66.6 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | trans | -119.2 | 124.8 | 170.2 | -67.1 | 173.8 | -15.4 | 0 | 0 | 108.1 | L24 H35 | L24-Q32 HydrophobicContact CD2-CB 4.39Å; L24-Q32 HydrophobicContact CD2-CG 3.94Å; Q32-H35 PolarHBondContact O-CD2 2.89Å; Q32-H35 PolarHBondContact O-NE2 3.49Å | ||
| 33 | P | 76.6 | Confident | 86.7 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 71% | 0.708 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -74.8 | -30.3 | 179.9 | 25.8 | -31.5 | 0 | 0 | 0 | 112.3 | F31 | F31-P33 HydrophobicContact CE1-CB 3.9Å; F31-P33 HydrophobicContact CZ-CB 4.37Å |
| 34 | V | 71.2 | Confident | 86.6 | Confident | 122 Ų | 122 | 71.3 Ų | 71.3 | 74% | 0.739 | 37% | 0.368 | S | S | * | . | trans | -99.4 | 115.3 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 35 | H | 68.8 | Low | 86.6 | Confident | 64 Ų | 64 | 72.1 Ų | 72.1 | 30% | 0.296 | 38% | 0.378 | S | S | . | . | trans | -123.8 | 132.4 | 171.2 | -72.5 | -74.6 | 0 | 0 | 0 | 108 | C21 Q32 | C21-H35 PolarHBondContact SG-CD2 3.42Å; C21-H35 PolarHBondContact SG-NE2 3.16Å; Q32-H35 PolarHBondContact O-CD2 2.89Å; Q32-H35 PolarHBondContact O-NE2 3.49Å | ||
| 36 | D | 78 | Confident | 86.6 | Confident | 152 Ų | 152 | 73.9 Ų | 73.9 | 81% | 0.813 | 38% | 0.384 | S | S | * | . | trans | -61 | 156.7 | 166.6 | -68.5 | -35.4 | 0 | 0 | 0 | 109.5 | T38 | D36-T38 PolarHBondContact O-N 3.45Š| ||
| 37 | L | 83.3 | Confident | 86.5 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 55% | 0.55 | 40% | 0.398 | S | S | . | . | trans | -58.7 | 125.3 | 172.8 | -69.1 | 172.8 | 0 | 0 | 0 | 108.9 | T15 I39 | T15-L37 HydrophobicContact CG2-CD2 3.44Å; T15-L37 VanDerWaalsContact CG2-CD2 3.44Å; L37-I39 PolarHBondContact O-N 3.15Å | ||
| 38 | T | 75.3 | Confident | 86.6 | Confident | 22 Ų | 22 | 75.5 Ų | 75.5 | 14% | 0.135 | 39% | 0.39 | C | S | . | . | trans | -63.1 | 106.3 | 172 | -40.2 | 0 | 0 | 0 | 0 | 108.5 | S20 D36 E42 A63 | S20-T38 PolarHBondContact OG-OG1 3.06Å; D36-T38 PolarHBondContact O-N 3.45Å; T38-E42 HydrophobicContact CG2-CG 4.22Å; T38-A63 WeakPolarHBondContact O-CB 3.36Å | ||
| 39 | I | 75.3 | Confident | 86.6 | Confident | 133 Ų | 133 | 75.7 Ų | 75.7 | 68% | 0.682 | 39% | 0.391 | S | S | * | . | trans | -96.6 | 117.5 | 174 | -63 | 172.1 | 0 | 0 | 0 | 107.1 | L37 F68 | L37-I39 PolarHBondContact O-N 3.15Å; I39-F68 HydrophobicContact CG1-CZ 4.49Å; I39-F68 HydrophobicContact CG2-CE1 4.12Å; I39-F68 HydrophobicContact CG2-CZ 3.93Å | ||
| 40 | G | 78.4 | Confident | 86.6 | Confident | 14 Ų | 14 | 71 Ų | 71 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 80.5 | -126.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A63 | G40-A63 WeakPolarHBondContact O-CB 3.33Å; G40-A63 PolarHBondContact O-N 2.98Å |
| 41 | V | 85.7 | Confident | 86.6 | Confident | 32 Ų | 32 | 71 Ų | 71 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 131.2 | -173.7 | -175.6 | 0 | 0 | 0 | 0 | 111 | W60 D61 T62 I71 Y75 | V41-W60 HydrophobicContact CG1-CB 3.73Å; V41-W60 HydrophobicContact CG1-CD2 4.21Å; V41-W60 HydrophobicContact CG1-CE3 3.56Å; V41-W60 HydrophobicContact CG1-CG 4.33Å; V41-W60 HydrophobicContact CG1-CZ3 4.47Å; V41-D61 CarbonylContact C-O 3.59Å; V41-D61 WeakPolarHBondContact CA-O 3.41Å; V41-D61 WeakPolarHBondContact CG1-O 3.26Å; V41-T62 HydrophobicContact CG1-CG2 4.27Å; V41-T62 HydrophobicContact CG2-CG2 4.11Å; V41-I71 HydrophobicContact CG2-CG2 3.75Å; V41-Y75 HydrophobicContact CB-CE1 4.47Å; V41-Y75 HydrophobicContact CB-CE2 4.01Å; V41-Y75 HydrophobicContact CG1-CD1 4.35Å; V41-Y75 HydrophobicContact CG1-CE1 4.02Å; V41-Y75 HydrophobicContact CG1-CE2 4.26Å; V41-Y75 HydrophobicContact CG2-CD2 3.72Å; V41-Y75 HydrophobicContact CG2-CE2 3.34Å; V41-Y75 HydrophobicContact CG2-CG 4.48Å |
| 42 | E | 91.5 | Very high | 86.6 | Confident | 104 Ų | 104 | 74.6 Ų | 74.6 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 147.1 | 171.2 | -69.9 | -173.2 | -175.3 | 0 | 0 | 111.1 | T38 W60 D61 | T38-E42 HydrophobicContact CG2-CG 4.22Å; E42-W60 CarbonylContact O-C 3.49Å; E42-W60 WeakPolarHBondContact O-CA 3.41Å; E42-D61 HydrophobicContact CB-CB 4.26Å; E42-D61 PolarHBondContact N-O 2.95Å; E42-D61 PolarHBondContact O-N 3.23Å |
| 43 | F | 93.7 | Very high | 86.9 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129 | -178.8 | 176.8 | -101.8 | 0 | 0 | 0 | 111 | A45 Q58 I59 W60 | F43-A45 HydrophobicContact CE1-CB 3.95Å; F43-A45 HydrophobicContact CZ-CB 3.81Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.9Å; F43-Q58 HydrophobicContact CZ-CB 4.34Å; F43-Q58 HydrophobicContact CZ-CG 3.91Å; F43-I59 WeakPolarHBondContact CA-O 3.47Å; F43-W60 HydrophobicContact CB-CE3 3.92Å; F43-W60 HydrophobicContact CB-CH2 4.28Å; F43-W60 HydrophobicContact CB-CZ3 3.64Å; F43-W60 AromaticContact CD2-CD2 3.97Å; F43-W60 HydrophobicContact CD2-CD2 3.97Å; F43-W60 AromaticContact CD2-CE2 3.89Å; F43-W60 AromaticContact CD2-CE3 3.84Å; F43-W60 HydrophobicContact CD2-CE3 3.84Å; F43-W60 AromaticContact CD2-CH2 3.7Å; F43-W60 HydrophobicContact CD2-CH2 3.7Å; F43-W60 AromaticContact CD2-CZ2 3.76Å; F43-W60 HydrophobicContact CD2-CZ2 3.76Å; F43-W60 AromaticContact CD2-CZ3 3.74Å; F43-W60 HydrophobicContact CD2-CZ3 3.74Å; F43-W60 HydrophobicContact CE2-CH2 4.42Å; F43-W60 HydrophobicContact CE2-CZ2 4.14Å; F43-W60 HydrophobicContact CG-CE3 4.36Å; F43-W60 HydrophobicContact CG-CH2 4.23Å; F43-W60 HydrophobicContact CG-CZ3 4.05Å |
| 44 | G | 95.4 | Very high | 87.8 | Confident | 9 Ų | 9 | 72 Ų | 72 | 9% | 0.093 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 156.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I59 | G44-I59 PolarHBondContact N-O 2.95Å; G44-I59 PolarHBondContact O-N 2.81Å |
| 45 | A | 96.7 | Very high | 89.1 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 35% | 0.347 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 141.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | F43 L57 | F43-A45 HydrophobicContact CE1-CB 3.95Å; F43-A45 HydrophobicContact CZ-CB 3.81Å; A45-L57 WeakPolarHBondContact CA-O 3.31Å; A45-L57 WeakPolarHBondContact CB-O 3.41Å |
| 46 | R | 96.6 | Very high | 90.4 | Very high | 57 Ų | 57 | 66.2 Ų | 66.2 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 140.1 | 176.9 | -166.8 | 169.4 | 178.1 | -144.3 | -9.5 | 110.6 | F26 L57 E157 | F26-R46 HydrophobicContact CD1-CB 4.33Å; F26-R46 VanDerWaalsContact CD2-NH1 3.32Å; F26-R46 HydrophobicContact CE1-CB 3.67Å; F26-R46 HydrophobicContact CE1-CG 4.15Å; F26-R46 HydrophobicContact CZ-CB 4.28Å; F26-R46 HydrophobicContact CZ-CG 4.37Å; F26-R46 VanDerWaalsContact O-CD 3.23Å; F26-R46 WeakPolarHBondContact O-CD 3.42Å; F26-R46 PolarHBondContact O-NE 3.37Å; F26-R46 PolarHBondContact O-NH1 3.05Å; R46-L57 PolarHBondContact N-O 3.03Å; R46-L57 VanDerWaalsContact N-O 3.08Å; R46-L57 PolarHBondContact O-N 3.28Å; R46-E157 IonicContact CZ-OE1 3.45Å; R46-E157 IonicContact NH1-OE1 3.33Å; R46-E157 PolarHBondContact NH1-OE1 2.82Å; R46-E157 IonicContact NH1-OE2 3.78Å; R46-E157 IonicContact NH2-OE1 2.71Å; R46-E157 PolarHBondContact NH2-OE1 3.4Å; R46-E157 IonicContact NH2-OE2 3.71Å |
| 47 | M | 96.9 | Very high | 91.4 | Very high | 59 Ų | 59 | 59 Ų | 59 | 29% | 0.291 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.8 | 168.9 | -67.8 | -64.1 | -59 | 0 | 0 | 109 | Q54 I55 K56 | M47-Q54 HydrophobicContact CE-CB 3.75Å; M47-I55 WeakPolarHBondContact CA-O 3.41Å; M47-K56 HydrophobicContact SD-CB 3.61Å; M47-K56 HydrophobicContact SD-CD 4.32Å; M47-K56 HydrophobicContact SD-CG 3.87Å |
| 48 | I | 96.7 | Very high | 92 | Very high | 10 Ų | 10 | 56 Ų | 56 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 163.3 | 173.4 | 64.9 | 169.3 | 0 | 0 | 0 | 109.9 | F26 I50 Q54 I55 L57 I161 A164 | F26-I48 HydrophobicContact CZ-CG2 4.02Å; I48-I50 HydrophobicContact CD1-CD1 3.74Å; I48-I50 HydrophobicContact CD1-CG1 4.14Å; I48-Q54 WeakPolarHBondContact O-CA 3.46Å; I48-I55 HydrophobicContact CG1-CB 3.97Å; I48-I55 HydrophobicContact CG1-CG2 4.44Å; I48-I55 PolarHBondContact N-O 3.12Å; I48-I55 PolarHBondContact O-N 3.43Å; I48-L57 HydrophobicContact CD1-CD1 3.89Å; I48-L57 HydrophobicContact CD1-CD2 4.09Å; I48-L57 HydrophobicContact CD1-CG 3.96Å; I48-L57 HydrophobicContact CG1-CG 4.23Å; I48-L57 HydrophobicContact CG2-CD1 4.43Å; I48-I161 HydrophobicContact CD1-CG1 4.49Å; I48-A164 HydrophobicContact CD1-CB 3.61Å |
| 49 | N | 95.5 | Very high | 93.1 | Very high | 82 Ų | 82 | 55 Ų | 55 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.1 | 174.7 | -170.3 | 48.1 | 0 | 0 | 0 | 109.9 | D52 K53 | N49-D52 VanDerWaalsContact OD1-C 3.3Å; N49-D52 WeakPolarHBondContact OD1-CA 3.44Å; N49-K53 WeakPolarHBondContact CA-O 3.18Å; N49-K53 PolarHBondContact OD1-N 2.9Å; N49-K53 PolarHBondContact OD1-O 3.27Å |
| 50 | I | 94.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 121.8 | 173.6 | -64.4 | -179 | 0 | 0 | 0 | 107 | I48 D52 K53 I55 A164 K165 H168 | I48-I50 HydrophobicContact CD1-CD1 3.74Å; I48-I50 HydrophobicContact CD1-CG1 4.14Å; I50-D52 VanDerWaalsContact C-N 3.3Å; I50-D52 PolarHBondContact O-N 3.26Å; I50-K53 PolarHBondContact N-O 3.31Å; I50-K53 WeakPolarHBondContact O-CA 3.25Å; I50-K53 WeakPolarHBondContact O-CB 3.48Å; I50-K53 PolarHBondContact O-N 2.97Å; I50-I55 HydrophobicContact CB-CD1 3.95Å; I50-I55 HydrophobicContact CD1-CD1 4.09Å; I50-I55 HydrophobicContact CG1-CD1 4.3Å; I50-A164 HydrophobicContact CD1-CB 3.43Å; I50-A164 VanDerWaalsContact CD1-CB 3.43Å; I50-K165 HydrophobicContact CD1-CG 3.82Å; I50-K165 HydrophobicContact CG1-CG 4.28Å; I50-K165 HydrophobicContact CG2-CG 4.07Å; I50-H168 HydrophobicContact CG2-CB 4.38Å |
| 51 | D | 91.3 | Very high | 94.9 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 60% | 0.599 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 48.8 | -179.7 | -50.3 | -34 | 0 | 0 | 0 | 113 | K53 H168 | D51-K53 PolarHBondContact O-N 3.47Å; D51-H168 IonicContact OD2-CE1 3.5Å; D51-H168 IonicContact OD2-ND1 3.32Å; D51-H168 PolarHBondContact OD2-ND1 3.16Å |
| 52 | D | 90.5 | Very high | 95.1 | Very high | 151 Ų | 151 | 49.7 Ų | 49.7 | 81% | 0.807 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 13.4 | -176.2 | -60.1 | -43.2 | 0 | 0 | 0 | 115.6 | N49 I50 | N49-D52 VanDerWaalsContact OD1-C 3.3Å; N49-D52 WeakPolarHBondContact OD1-CA 3.44Å; I50-D52 VanDerWaalsContact C-N 3.3Å; I50-D52 PolarHBondContact O-N 3.26Å |
| 53 | K | 93 | Very high | 94.9 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.8 | 170.7 | -61.3 | -171.4 | -171.3 | 168.3 | 0 | 110.7 | A4 Y5 N49 I50 D51 I55 H168 | A4-K53 HydrophobicContact CB-CB 4.16Å; A4-K53 HydrophobicContact CB-CD 4.29Å; A4-K53 HydrophobicContact CB-CG 4.47Å; Y5-K53 HydrophobicContact CD2-CD 4.36Å; Y5-K53 HydrophobicContact CE2-CD 3.64Å; Y5-K53 PolarHBondContact OH-NZ 3.32Å; N49-K53 WeakPolarHBondContact CA-O 3.18Å; N49-K53 PolarHBondContact OD1-N 2.9Å; N49-K53 PolarHBondContact OD1-O 3.27Å; I50-K53 PolarHBondContact N-O 3.31Å; I50-K53 WeakPolarHBondContact O-CA 3.25Å; I50-K53 WeakPolarHBondContact O-CB 3.48Å; I50-K53 PolarHBondContact O-N 2.97Å; D51-K53 PolarHBondContact O-N 3.47Å; K53-I55 PolarHBondContact O-N 2.97Å; K53-H168 PolarHBondContact NZ-NE2 3.01Å; K53-H168 VanDerWaalsContact NZ-NE2 3.18Å |
| 54 | Q | 96.1 | Very high | 94.3 | Very high | 73 Ų | 73 | 40.5 Ų | 40.5 | 34% | 0.341 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 120.3 | 168.4 | -68.4 | -64 | -36.5 | 0 | 0 | 109.7 | Y3 A4 M47 I48 | Y3-Q54 CarbonylContact C-O 3.55Å; Y3-Q54 WeakPolarHBondContact CA-O 3.42Å; Y3-Q54 WeakPolarHBondContact CB-O 3.45Å; A4-Q54 PolarHBondContact N-O 3.43Å; M47-Q54 HydrophobicContact CE-CB 3.75Å; I48-Q54 WeakPolarHBondContact O-CA 3.46Å |
| 55 | I | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128.9 | 179.1 | -60.4 | 178.7 | 0 | 0 | 0 | 108.6 | Y5 F7 M47 I48 I50 K53 L57 | Y5-I55 HydrophobicContact CD2-CD1 4.42Å; Y5-I55 HydrophobicContact CD2-CG1 4.31Å; Y5-I55 CarbonylContact O-C 3.53Å; Y5-I55 WeakPolarHBondContact O-CA 3.22Å; F7-I55 HydrophobicContact CD1-CG2 4.43Å; F7-I55 HydrophobicContact CD2-CG2 3.65Å; F7-I55 HydrophobicContact CE2-CD1 3.81Å; F7-I55 HydrophobicContact CE2-CG2 3.82Å; F7-I55 HydrophobicContact CG-CG2 3.97Å; F7-I55 HydrophobicContact CZ-CD1 4.01Å; F7-I55 HydrophobicContact CZ-CG2 4.27Å; M47-I55 WeakPolarHBondContact CA-O 3.41Å; I48-I55 HydrophobicContact CG1-CB 3.97Å; I48-I55 HydrophobicContact CG1-CG2 4.44Å; I48-I55 PolarHBondContact N-O 3.12Å; I48-I55 PolarHBondContact O-N 3.43Å; I50-I55 HydrophobicContact CB-CD1 3.95Å; I50-I55 HydrophobicContact CD1-CD1 4.09Å; I50-I55 HydrophobicContact CG1-CD1 4.3Å; K53-I55 PolarHBondContact O-N 2.97Å; I55-L57 HydrophobicContact CG2-CD2 4.03Å |
| 56 | K | 97.4 | Very high | 92.8 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 28% | 0.283 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.4 | 173.4 | -171.3 | 173 | -177.2 | 176.5 | 0 | 109.6 | Y3 Y5 L6 F7 M47 | Y3-K56 HydrophobicContact CD1-CB 3.86Å; Y3-K56 HydrophobicContact CD1-CD 4.01Å; Y3-K56 HydrophobicContact CD2-CB 4.38Å; Y3-K56 HydrophobicContact CE1-CB 4.36Å; Y3-K56 HydrophobicContact CE1-CD 3.87Å; Y3-K56 HydrophobicContact CG-CB 3.87Å; Y5-K56 PolarHBondContact O-N 3.45Å; L6-K56 CarbonylContact C-O 3.54Å; L6-K56 VanDerWaalsContact CA-O 3.24Å; L6-K56 WeakPolarHBondContact CA-O 3.24Å; L6-K56 HydrophobicContact CB-CB 4.42Å; L6-K56 HydrophobicContact CD1-CD 4.45Å; L6-K56 HydrophobicContact CG-CB 4.48Å; F7-K56 PolarHBondContact N-O 3.45Å; M47-K56 HydrophobicContact SD-CB 3.61Å; M47-K56 HydrophobicContact SD-CD 4.32Å; M47-K56 HydrophobicContact SD-CG 3.87Å |
| 57 | L | 98 | Very high | 92.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.2 | 167.7 | -57.7 | -169 | 0 | 0 | 0 | 109.3 | F7 Y9 F26 A45 R46 I48 I55 I59 F160 A164 | F7-L57 HydrophobicContact CB-CD2 3.88Å; F7-L57 HydrophobicContact CD2-CD2 4.11Å; F7-L57 HydrophobicContact CG-CD2 4.42Å; Y9-L57 HydrophobicContact CD2-CD2 4.28Å; Y9-L57 HydrophobicContact CE1-CD1 4.44Å; Y9-L57 HydrophobicContact CE2-CD2 3.74Å; F26-L57 HydrophobicContact CE1-CD1 4.06Å; F26-L57 HydrophobicContact CZ-CD1 3.95Å; A45-L57 WeakPolarHBondContact CA-O 3.31Å; A45-L57 WeakPolarHBondContact CB-O 3.41Å; R46-L57 PolarHBondContact N-O 3.03Å; R46-L57 VanDerWaalsContact N-O 3.08Å; R46-L57 PolarHBondContact O-N 3.28Å; I48-L57 HydrophobicContact CD1-CD1 3.89Å; I48-L57 HydrophobicContact CD1-CD2 4.09Å; I48-L57 HydrophobicContact CD1-CG 3.96Å; I48-L57 HydrophobicContact CG1-CG 4.23Å; I48-L57 HydrophobicContact CG2-CD1 4.43Å; I55-L57 HydrophobicContact CG2-CD2 4.03Å; L57-I59 HydrophobicContact CB-CD1 4.29Å; L57-I59 HydrophobicContact CB-CG1 4.21Å; L57-F160 HydrophobicContact CD1-CB 4.3Å; L57-A164 HydrophobicContact CD2-CB 4.23Å |
| 58 | Q | 97.7 | Very high | 91.4 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116.6 | 167.1 | -79.1 | -163.2 | -34.6 | 0 | 0 | 107.9 | L6 F7 K8 Y9 F43 | L6-Q58 HydrophobicContact CD1-CG 4.1Å; L6-Q58 HydrophobicContact CD2-CB 4.38Å; L6-Q58 HydrophobicContact CD2-CG 4.13Å; L6-Q58 HydrophobicContact CG-CG 4.1Å; F7-Q58 PolarHBondContact O-N 2.9Å; K8-Q58 CarbonylContact C-O 3.57Å; K8-Q58 WeakPolarHBondContact CA-O 3.38Å; Y9-Q58 PolarHBondContact N-O 2.94Å; F43-Q58 HydrophobicContact CE2-CB 3.86Å; F43-Q58 HydrophobicContact CE2-CG 3.9Å; F43-Q58 HydrophobicContact CZ-CB 4.34Å; F43-Q58 HydrophobicContact CZ-CG 3.91Å |
| 59 | I | 98 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.5 | -168.5 | -53.8 | 155.3 | 0 | 0 | 0 | 108.6 | Y9 I11 L23 F26 F43 G44 L57 F160 | Y9-I59 HydrophobicContact CG-CG1 4.39Å; I11-I59 HydrophobicContact CD1-CG2 3.7Å; I11-I59 HydrophobicContact CG1-CG2 3.71Å; L23-I59 HydrophobicContact CD1-CB 3.81Å; L23-I59 HydrophobicContact CD1-CD1 3.92Å; L23-I59 HydrophobicContact CD1-CG1 4.49Å; L23-I59 HydrophobicContact CD1-CG2 3.68Å; F26-I59 HydrophobicContact CD1-CD1 3.68Å; F26-I59 HydrophobicContact CE1-CD1 3.72Å; F43-I59 WeakPolarHBondContact CA-O 3.47Å; G44-I59 PolarHBondContact N-O 2.95Å; G44-I59 PolarHBondContact O-N 2.81Å; L57-I59 HydrophobicContact CB-CD1 4.29Å; L57-I59 HydrophobicContact CB-CG1 4.21Å; I59-F160 HydrophobicContact CD1-CD1 3.84Å; I59-F160 HydrophobicContact CD1-CE1 3.66Å; I59-F160 HydrophobicContact CG1-CD1 4.44Å; I59-F160 HydrophobicContact CG1-CE1 4.22Å; I59-F160 HydrophobicContact CG2-CE1 4.12Å |
| 60 | W | 96.1 | Very high | 90.2 | Very high | 69 Ų | 69 | 52 Ų | 52 | 26% | 0.261 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 106.6 | 174.5 | -63 | 106.5 | 0 | 0 | 0 | 109 | Y9 I10 I11 V41 E42 F43 Y75 | Y9-W60 PolarHBondContact O-N 3.06Å; I10-W60 CarbonylContact C-O 3.47Å; I10-W60 WeakPolarHBondContact CA-O 3.3Å; I11-W60 PolarHBondContact N-O 3.03Å; V41-W60 HydrophobicContact CG1-CB 3.73Å; V41-W60 HydrophobicContact CG1-CD2 4.21Å; V41-W60 HydrophobicContact CG1-CE3 3.56Å; V41-W60 HydrophobicContact CG1-CG 4.33Å; V41-W60 HydrophobicContact CG1-CZ3 4.47Å; E42-W60 CarbonylContact O-C 3.49Å; E42-W60 WeakPolarHBondContact O-CA 3.41Å; F43-W60 HydrophobicContact CB-CE3 3.92Å; F43-W60 HydrophobicContact CB-CH2 4.28Å; F43-W60 HydrophobicContact CB-CZ3 3.64Å; F43-W60 AromaticContact CD2-CD2 3.97Å; F43-W60 HydrophobicContact CD2-CD2 3.97Å; F43-W60 AromaticContact CD2-CE2 3.89Å; F43-W60 AromaticContact CD2-CE3 3.84Å; F43-W60 HydrophobicContact CD2-CE3 3.84Å; F43-W60 AromaticContact CD2-CH2 3.7Å; F43-W60 HydrophobicContact CD2-CH2 3.7Å; F43-W60 AromaticContact CD2-CZ2 3.76Å; F43-W60 HydrophobicContact CD2-CZ2 3.76Å; F43-W60 AromaticContact CD2-CZ3 3.74Å; F43-W60 HydrophobicContact CD2-CZ3 3.74Å; F43-W60 HydrophobicContact CE2-CH2 4.42Å; F43-W60 HydrophobicContact CE2-CZ2 4.14Å; F43-W60 HydrophobicContact CG-CE3 4.36Å; F43-W60 HydrophobicContact CG-CH2 4.23Å; F43-W60 HydrophobicContact CG-CZ3 4.05Å; W60-Y75 HydrophobicContact CB-CD1 3.92Å; W60-Y75 HydrophobicContact CB-CE1 4.46Å; W60-Y75 AromaticContact CD1-CD1 3.88Å; W60-Y75 AromaticContact CD2-CD1 3.64Å; W60-Y75 HydrophobicContact CD2-CD1 3.64Å; W60-Y75 AromaticContact CD2-CE1 3.47Å; W60-Y75 HydrophobicContact CD2-CE1 3.47Å; W60-Y75 VanDerWaalsContact CD2-CE1 3.47Å; W60-Y75 AromaticContact CE2-CE1 3.84Å; W60-Y75 HydrophobicContact CE3-CD1 4.14Å; W60-Y75 AromaticContact CE3-CE1 3.54Å; W60-Y75 HydrophobicContact CE3-CE1 3.54Å; W60-Y75 AromaticContact CG-CD1 3.54Å; W60-Y75 HydrophobicContact CG-CD1 3.54Å; W60-Y75 AromaticContact CG-CE1 3.91Å; W60-Y75 HydrophobicContact CG-CE1 3.91Å; W60-Y75 HydrophobicContact CH2-CE1 4.24Å; W60-Y75 HydrophobicContact CZ2-CE1 4.22Å; W60-Y75 AromaticContact CZ3-CE1 3.91Å; W60-Y75 HydrophobicContact CZ3-CE1 3.91Å |
| 61 | D | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 128.1 | 169.7 | 174 | 39.4 | 0 | 0 | 0 | 109.4 | I11 K19 S20 L23 V41 E42 | I11-D61 HydrophobicContact CD1-CB 4.44Å; K19-D61 WeakPolarHBondContact CB-OD1 3.39Å; S20-D61 WeakPolarHBondContact CA-OD2 3.22Å; S20-D61 WeakPolarHBondContact CB-OD2 3.32Å; S20-D61 PolarHBondContact N-OD2 2.91Å; S20-D61 PolarHBondContact OG-OD2 2.94Å; L23-D61 HydrophobicContact CB-CB 4.46Å; L23-D61 HydrophobicContact CD2-CB 3.58Å; V41-D61 CarbonylContact C-O 3.59Å; V41-D61 WeakPolarHBondContact CA-O 3.41Å; V41-D61 WeakPolarHBondContact CG1-O 3.26Å; E42-D61 HydrophobicContact CB-CB 4.26Å; E42-D61 PolarHBondContact N-O 2.95Å; E42-D61 PolarHBondContact O-N 3.23Å |
| 62 | T | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 154.3 | -169.7 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | I10 I11 K19 V41 G64 T72 | I10-T62 HydrophobicContact CD1-CG2 3.86Å; I10-T62 HydrophobicContact CG1-CG2 3.61Å; I11-T62 PolarHBondContact O-N 3.15Å; I11-T62 PolarHBondContact O-OG1 3.34Å; K19-T62 WeakPolarHBondContact CE-O 3.09Å; V41-T62 HydrophobicContact CG1-CG2 4.27Å; V41-T62 HydrophobicContact CG2-CG2 4.11Å; T62-G64 PolarHBondContact O-N 2.9Å; T62-T72 HydrophobicContact CG2-CG2 4.12Å |
| 63 | A | 87.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -57.7 | 134.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T38 G40 F68 | T38-A63 WeakPolarHBondContact O-CB 3.36Å; G40-A63 WeakPolarHBondContact O-CB 3.33Å; G40-A63 PolarHBondContact O-N 2.98Å; A63-F68 HydrophobicContact CB-CB 3.56Å; A63-F68 HydrophobicContact CB-CD2 3.74Å; A63-F68 HydrophobicContact CB-CG 3.87Å | ||
| 64 | G | 80.1 | Confident | 88.9 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | trans | -91 | 4.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G13 T15 T62 | G13-G64 VanDerWaalsContact O-CA 3.3Å; G13-G64 WeakPolarHBondContact O-CA 3.49Å; T15-G64 PolarHBondContact N-O 2.63Å; T15-G64 WeakPolarHBondContact OG1-CA 3.3Å; T15-G64 PolarHBondContact OG1-O 3.41Å; T15-G64 VanDerWaalsContact OG1-O 3.05Å; T62-G64 PolarHBondContact O-N 2.9Å | ||
| 65 | Q | 84.4 | Confident | 88.6 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 36% | 0.36 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -92.2 | 144.8 | 178.3 | -64.6 | -159.1 | -0.2 | 0 | 0 | 111.2 | T15 S67 F68 | T15-Q65 WeakPolarHBondContact OG1-CG 3.42Å; T15-Q65 PolarHBondContact OG1-N 2.86Å; Q65-S67 VanDerWaalsContact C-N 3.26Å; Q65-S67 PolarHBondContact O-N 3.25Å; Q65-F68 HydrophobicContact CB-CD2 4Å; Q65-F68 PolarHBondContact O-N 3.48Å; Q65-F68 VanDerWaalsContact O-N 3.09Å |
| 66 | E | 76.1 | Confident | 88.3 | Confident | 170 Ų | 170 | 47.5 Ų | 47.5 | 79% | 0.794 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -58.8 | -38.1 | 180 | -165.1 | -176.6 | 173.8 | 0 | 0 | 112.7 | F68 R69 | E66-F68 PolarHBondContact O-N 3.31Å; E66-R69 HydrophobicContact CG-CG 4.3Å; E66-R69 VanDerWaalsContact O-CB 3.28Å; E66-R69 WeakPolarHBondContact O-CB 3.49Å; E66-R69 VanDerWaalsContact O-CG 3.25Å; E66-R69 WeakPolarHBondContact O-CG 3.35Å; E66-R69 PolarHBondContact O-N 3.48Å |
| 67 | S | 81.8 | Confident | 87.9 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 58% | 0.58 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -57.9 | -18.6 | 177.2 | 54.3 | 0 | 0 | 0 | 0 | 114.1 | Q65 | Q65-S67 VanDerWaalsContact C-N 3.26Å; Q65-S67 PolarHBondContact O-N 3.25Å |
| 68 | F | 82.8 | Confident | 87.4 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 23% | 0.228 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -107.4 | 6.9 | 177.5 | -60.9 | -65.2 | 0 | 0 | 0 | 113.9 | I39 A63 Q65 E66 S70 I71 T72 | I39-F68 HydrophobicContact CG1-CZ 4.49Å; I39-F68 HydrophobicContact CG2-CE1 4.12Å; I39-F68 HydrophobicContact CG2-CZ 3.93Å; A63-F68 HydrophobicContact CB-CB 3.56Å; A63-F68 HydrophobicContact CB-CD2 3.74Å; A63-F68 HydrophobicContact CB-CG 3.87Å; Q65-F68 HydrophobicContact CB-CD2 4Å; Q65-F68 PolarHBondContact O-N 3.48Å; Q65-F68 VanDerWaalsContact O-N 3.09Å; E66-F68 PolarHBondContact O-N 3.31Å; F68-S70 PolarHBondContact O-N 3.49Å; F68-S70 VanDerWaalsContact O-N 3.16Å; F68-I71 HydrophobicContact CD1-CD1 3.98Å; F68-I71 WeakPolarHBondContact O-CB 3.35Å; F68-I71 PolarHBondContact O-N 3.18Å; F68-T72 PolarHBondContact O-N 3.1Å |
| 69 | R | 82.3 | Confident | 87.3 | Confident | 30 Ų | 30 | 53 Ų | 53 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55 | -34.4 | 179.9 | -78.2 | -87.4 | -174.3 | 158.7 | 0 | 113.2 | E66 I71 T72 R73 T99 W100 D103 | E66-R69 HydrophobicContact CG-CG 4.3Å; E66-R69 VanDerWaalsContact O-CB 3.28Å; E66-R69 WeakPolarHBondContact O-CB 3.49Å; E66-R69 VanDerWaalsContact O-CG 3.25Å; E66-R69 WeakPolarHBondContact O-CG 3.35Å; E66-R69 PolarHBondContact O-N 3.48Å; R69-I71 VanDerWaalsContact C-N 3.3Å; R69-I71 PolarHBondContact O-N 3.36Å; R69-T72 PolarHBondContact O-N 3.33Å; R69-R73 WeakPolarHBondContact O-CB 3.41Å; R69-R73 VanDerWaalsContact O-CG 3.25Å; R69-R73 WeakPolarHBondContact O-CG 3.47Å; R69-R73 PolarHBondContact O-N 2.87Å; R69-T99 PolarHBondContact NH1-O 2.94Å; R69-W100 VanDerWaalsContact CZ-CD2 3.45Å; R69-W100 VanDerWaalsContact CZ-CZ3 3.48Å; R69-W100 VanDerWaalsContact NH1-CE3 3.31Å; R69-D103 WeakPolarHBondContact CD-OD2 3.17Å; R69-D103 IonicContact CZ-OD2 2.81Å; R69-D103 IonicContact NE-OD2 2.79Å; R69-D103 IonicContact NH1-OD2 3.68Å; R69-D103 PolarHBondContact NH1-OD2 3.2Å |
| 70 | S | 83.8 | Confident | 87.3 | Confident | 88 Ų | 88 | 53 Ų | 53 | 62% | 0.615 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.8 | -37.4 | 176.8 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | F68 | F68-S70 PolarHBondContact O-N 3.49Å; F68-S70 VanDerWaalsContact O-N 3.16Å |
| 71 | I | 83.2 | Confident | 87.4 | Confident | 62 Ų | 62 | 49.8 Ų | 49.8 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.1 | -52 | 175.3 | -59.5 | 178.5 | 0 | 0 | 0 | 108.7 | V41 F68 R69 R73 S74 Y75 | V41-I71 HydrophobicContact CG2-CG2 3.75Å; F68-I71 HydrophobicContact CD1-CD1 3.98Å; F68-I71 WeakPolarHBondContact O-CB 3.35Å; F68-I71 PolarHBondContact O-N 3.18Å; R69-I71 VanDerWaalsContact C-N 3.3Å; R69-I71 PolarHBondContact O-N 3.36Å; I71-R73 PolarHBondContact O-N 3.01Å; I71-S74 WeakPolarHBondContact O-CB 3.34Å; I71-S74 PolarHBondContact O-N 3.33Å; I71-S74 PolarHBondContact O-OG 2.64Å; I71-Y75 HydrophobicContact CG2-CD2 4.44Å; I71-Y75 HydrophobicContact CG2-CE2 3.91Å; I71-Y75 VanDerWaalsContact O-CD2 3.28Å; I71-Y75 WeakPolarHBondContact O-CD2 3.04Å |
| 72 | T | 85.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.3 | -41 | 178 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | I10 I12 T62 F68 R69 S74 Y75 Y76 W100 | I10-T72 HydrophobicContact CD1-CG2 4.13Å; I12-T72 HydrophobicContact CG2-CG2 4.02Å; T62-T72 HydrophobicContact CG2-CG2 4.12Å; F68-T72 PolarHBondContact O-N 3.1Å; R69-T72 PolarHBondContact O-N 3.33Å; T72-S74 PolarHBondContact O-N 3.32Å; T72-Y75 PolarHBondContact O-N 2.96Å; T72-Y76 HydrophobicContact CG2-CE1 4.42Å; T72-Y76 HydrophobicContact CG2-CE2 4.11Å; T72-Y76 PolarHBondContact O-N 3.43Å; T72-W100 HydrophobicContact CG2-CZ3 4.17Å |
| 73 | R | 86.9 | Confident | 87.9 | Confident | 106 Ų | 106 | 49.8 Ų | 49.8 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.1 | -33.1 | 178.5 | -76.6 | 173.5 | 179.4 | 179.1 | -4.3 | 113.7 | R69 I71 Y75 Y76 D103 | R69-R73 WeakPolarHBondContact O-CB 3.41Å; R69-R73 VanDerWaalsContact O-CG 3.25Å; R69-R73 WeakPolarHBondContact O-CG 3.47Å; R69-R73 PolarHBondContact O-N 2.87Å; I71-R73 PolarHBondContact O-N 3.01Å; R73-Y75 VanDerWaalsContact C-N 3.26Å; R73-Y75 PolarHBondContact O-N 3.29Å; R73-Y76 HydrophobicContact CB-CD2 4.37Å; R73-Y76 HydrophobicContact CG-CD2 4.18Å; R73-Y76 HydrophobicContact CG-CE2 4.16Å; R73-Y76 PolarHBondContact O-N 2.82Å; R73-D103 IonicContact CZ-OD1 3.76Å; R73-D103 IonicContact NE-OD1 3.72Å; R73-D103 IonicContact NE-OD2 3.72Å; R73-D103 IonicContact NH2-OD1 2.96Å; R73-D103 PolarHBondContact NH2-OD1 3.47Å; R73-D103 IonicContact NH2-OD2 3.57Å |
| 74 | S | 88.1 | Confident | 88.4 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 52% | 0.524 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -26.3 | 177.2 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | I71 T72 | I71-S74 WeakPolarHBondContact O-CB 3.34Å; I71-S74 PolarHBondContact O-N 3.33Å; I71-S74 PolarHBondContact O-OG 2.64Å; T72-S74 PolarHBondContact O-N 3.32Å |
| 75 | Y | 89.6 | Confident | 89.3 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -89.6 | -16.4 | 179.7 | -67.8 | -90.7 | 0 | 0 | 0 | 113.8 | V41 W60 I71 T72 R73 R77 | V41-Y75 HydrophobicContact CB-CE1 4.47Å; V41-Y75 HydrophobicContact CB-CE2 4.01Å; V41-Y75 HydrophobicContact CG1-CD1 4.35Å; V41-Y75 HydrophobicContact CG1-CE1 4.02Å; V41-Y75 HydrophobicContact CG1-CE2 4.26Å; V41-Y75 HydrophobicContact CG2-CD2 3.72Å; V41-Y75 HydrophobicContact CG2-CE2 3.34Å; V41-Y75 HydrophobicContact CG2-CG 4.48Å; W60-Y75 HydrophobicContact CB-CD1 3.92Å; W60-Y75 HydrophobicContact CB-CE1 4.46Å; W60-Y75 AromaticContact CD1-CD1 3.88Å; W60-Y75 AromaticContact CD2-CD1 3.64Å; W60-Y75 HydrophobicContact CD2-CD1 3.64Å; W60-Y75 AromaticContact CD2-CE1 3.47Å; W60-Y75 HydrophobicContact CD2-CE1 3.47Å; W60-Y75 VanDerWaalsContact CD2-CE1 3.47Å; W60-Y75 AromaticContact CE2-CE1 3.84Å; W60-Y75 HydrophobicContact CE3-CD1 4.14Å; W60-Y75 AromaticContact CE3-CE1 3.54Å; W60-Y75 HydrophobicContact CE3-CE1 3.54Å; W60-Y75 AromaticContact CG-CD1 3.54Å; W60-Y75 HydrophobicContact CG-CD1 3.54Å; W60-Y75 AromaticContact CG-CE1 3.91Å; W60-Y75 HydrophobicContact CG-CE1 3.91Å; W60-Y75 HydrophobicContact CH2-CE1 4.24Å; W60-Y75 HydrophobicContact CZ2-CE1 4.22Å; W60-Y75 AromaticContact CZ3-CE1 3.91Å; W60-Y75 HydrophobicContact CZ3-CE1 3.91Å; I71-Y75 HydrophobicContact CG2-CD2 4.44Å; I71-Y75 HydrophobicContact CG2-CE2 3.91Å; I71-Y75 VanDerWaalsContact O-CD2 3.28Å; I71-Y75 WeakPolarHBondContact O-CD2 3.04Å; T72-Y75 PolarHBondContact O-N 2.96Å; R73-Y75 VanDerWaalsContact C-N 3.26Å; R73-Y75 PolarHBondContact O-N 3.29Å; Y75-R77 PolarHBondContact O-N 2.89Å |
| 76 | Y | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -38 | 168.6 | -70.1 | -47 | 0 | 0 | 0 | 111.4 | I10 I12 T72 R73 G78 A79 D103 A104 H107 | I10-Y76 HydrophobicContact CD1-CD1 3.75Å; I10-Y76 HydrophobicContact CD1-CE1 3.9Å; I10-Y76 HydrophobicContact CD1-CG 4.46Å; I10-Y76 HydrophobicContact CG2-CD1 4.34Å; I12-Y76 HydrophobicContact CD1-CE1 3.89Å; I12-Y76 HydrophobicContact CG2-CE1 3.74Å; T72-Y76 HydrophobicContact CG2-CE1 4.42Å; T72-Y76 HydrophobicContact CG2-CE2 4.11Å; T72-Y76 PolarHBondContact O-N 3.43Å; R73-Y76 HydrophobicContact CB-CD2 4.37Å; R73-Y76 HydrophobicContact CG-CD2 4.18Å; R73-Y76 HydrophobicContact CG-CE2 4.16Å; R73-Y76 PolarHBondContact O-N 2.82Å; Y76-G78 PolarHBondContact O-N 3.32Å; Y76-A79 PolarHBondContact O-N 3.39Å; Y76-A79 VanDerWaalsContact O-N 3.12Å; Y76-D103 HydrophobicContact CE2-CB 4.05Å; Y76-A104 HydrophobicContact CD1-CB 4Å; Y76-A104 HydrophobicContact CE1-CB 3.57Å; Y76-H107 CarbonylContact C-O 3.59Å; Y76-H107 HydrophobicContact CD2-CB 3.72Å; Y76-H107 HydrophobicContact CG-CB 4.05Å |
| 77 | R | 87 | Confident | 91.1 | Very high | 212 Ų | 212 | 37.6 Ų | 37.6 | 80% | 0.8 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 111 | -179.6 | -171.2 | 179.8 | 177.7 | 115.9 | -0.2 | 109.8 | Y75 H107 | Y75-R77 PolarHBondContact O-N 2.89Å; R77-H107 PolarHBondContact N-O 3.18Å |
| 78 | G | 89 | Confident | 91.9 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 25.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K8 Y76 G184 | K8-G78 WeakPolarHBondContact CB-O 3.47Å; K8-G78 WeakPolarHBondContact CD-O 3.42Å; Y76-G78 PolarHBondContact O-N 3.32Å; G78-G184 WeakPolarHBondContact O-CA 3.37Å |
| 79 | A | 95.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | trans | -81.2 | 132.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I10 Y76 M112 | I10-A79 HydrophobicContact CB-CB 4.43Å; I10-A79 HydrophobicContact CG2-CB 3.98Å; Y76-A79 PolarHBondContact O-N 3.39Å; Y76-A79 VanDerWaalsContact O-N 3.12Å; A79-M112 HydrophobicContact CB-SD 3.82Å | ||
| 80 | A | 97 | Very high | 93.4 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -87.8 | -34.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K8 V113 I167 N183 I185 | K8-A80 PolarHBondContact O-N 2.97Å; A80-V113 PolarHBondContact O-N 2.91Å; A80-I167 HydrophobicContact CB-CD1 4.01Å; A80-I167 HydrophobicContact CB-CG2 4.35Å; A80-N183 WeakPolarHBondContact CA-O 3.44Å; A80-N183 VanDerWaalsContact CB-O 3.25Å; A80-N183 WeakPolarHBondContact CB-O 3.46Å; A80-I185 HydrophobicContact CB-CG1 4.01Å |
| 81 | G | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | K8 Y9 I10 V113 | K8-G81 PolarHBondContact O-N 2.96Å; K8-G81 VanDerWaalsContact O-N 3.15Å; Y9-G81 VanDerWaalsContact CA-O 3.27Å; Y9-G81 WeakPolarHBondContact CA-O 3.49Å; I10-G81 PolarHBondContact N-O 2.86Å; I10-G81 VanDerWaalsContact N-O 3.09Å; G81-V113 CarbonylContact C-O 3.47Å; G81-V113 VanDerWaalsContact CA-O 3.22Å; G81-V113 WeakPolarHBondContact CA-O 3.38Å |
| 82 | A | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I10 M112 V113 I114 M115 | I10-A82 HydrophobicContact CG2-CB 3.7Å; I10-A82 CarbonylContact O-C 3.59Å; I10-A82 VanDerWaalsContact O-CA 3.32Å; I10-A82 WeakPolarHBondContact O-CA 3.37Å; A82-M112 HydrophobicContact CB-CE 3.95Å; A82-M112 HydrophobicContact CB-SD 3.91Å; A82-V113 PolarHBondContact N-O 2.94Å; A82-I114 HydrophobicContact CB-CG1 4.21Å; A82-I114 HydrophobicContact CB-CG2 4.34Å; A82-I114 WeakPolarHBondContact O-CA 3.34Å; A82-M115 PolarHBondContact O-N 3.21Å |
| 83 | L | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 110.4 | 167.2 | -57.7 | -171 | 0 | 0 | 0 | 107.9 | Y9 I10 I11 I12 V85 M115 I117 F160 T163 | Y9-L83 HydrophobicContact CD1-CG 4.49Å; I10-L83 PolarHBondContact O-N 2.68Å; I11-L83 HydrophobicContact CG1-CB 4.43Å; I11-L83 HydrophobicContact CG1-CD1 4.42Å; I11-L83 HydrophobicContact CG2-CB 4.18Å; I12-L83 PolarHBondContact N-O 3.26Å; L83-V85 HydrophobicContact CB-CG2 4.35Å; L83-M115 HydrophobicContact CD2-CB 4Å; L83-I117 HydrophobicContact CB-CD1 3.95Å; L83-I117 HydrophobicContact CD1-CD1 3.87Å; L83-I117 HydrophobicContact CD2-CD1 4.04Å; L83-I117 HydrophobicContact CG-CD1 4.16Å; L83-F160 HydrophobicContact CD1-CD1 3.75Å; L83-F160 HydrophobicContact CD1-CD2 4.14Å; L83-F160 HydrophobicContact CD1-CE1 3.35Å; L83-F160 HydrophobicContact CD1-CE2 3.8Å; L83-F160 HydrophobicContact CD1-CG 4.14Å; L83-F160 HydrophobicContact CD1-CZ 3.39Å; L83-T163 HydrophobicContact CD2-CG2 4.48Å |
| 84 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 108.2 | 178.4 | 175.3 | 62.2 | 0 | 0 | 0 | 108.5 | I12 L97 W100 L101 I114 M115 L116 I117 L143 | I12-L84 HydrophobicContact CD1-CD1 3.89Å; I12-L84 HydrophobicContact CG1-CB 4.31Å; I12-L84 HydrophobicContact CG1-CD1 3.8Å; L84-L97 HydrophobicContact CD1-CD2 3.74Å; L84-L97 HydrophobicContact CD2-CD2 3.87Å; L84-L97 HydrophobicContact CG-CD2 3.54Å; L84-W100 HydrophobicContact CD1-CB 3.48Å; L84-W100 VanDerWaalsContact CD1-CB 3.48Å; L84-W100 HydrophobicContact CD1-CG 4.27Å; L84-L101 HydrophobicContact CD2-CB 4.08Å; L84-L101 HydrophobicContact CD2-CD1 4.38Å; L84-I114 HydrophobicContact CB-CG2 4.09Å; L84-M115 PolarHBondContact N-O 3.47Å; L84-L116 HydrophobicContact CD2-CD1 4.22Å; L84-L116 HydrophobicContact CG-CD1 4.16Å; L84-L116 CarbonylContact O-C 3.46Å; L84-L116 WeakPolarHBondContact O-CA 3.47Å; L84-I117 PolarHBondContact O-N 3.33Å; L84-L143 HydrophobicContact CD2-CD1 4.34Å |
| 85 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.4 | -165.5 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | I11 I12 G13 V17 K19 L22 L83 I117 N119 | I11-V85 HydrophobicContact CG2-CG2 3.66Å; I12-V85 PolarHBondContact O-N 3.08Å; G13-V85 WeakPolarHBondContact CA-O 3.44Å; V17-V85 HydrophobicContact CB-CG1 4.24Å; V17-V85 HydrophobicContact CG2-CB 3.89Å; V17-V85 HydrophobicContact CG2-CG1 3.77Å; K19-V85 HydrophobicContact CG-CB 4.26Å; K19-V85 HydrophobicContact CG-CG2 4.33Å; L22-V85 HydrophobicContact CD1-CG1 3.81Å; L22-V85 HydrophobicContact CD1-CG2 3.97Å; L83-V85 HydrophobicContact CB-CG2 4.35Å; V85-I117 WeakPolarHBondContact CA-O 3.21Å; V85-I117 HydrophobicContact CG1-CB 4.38Å; V85-I117 HydrophobicContact CG1-CG2 4.24Å; V85-I117 HydrophobicContact CG2-CB 4.26Å; V85-N119 HydrophobicContact CG1-CB 3.8Å |
| 86 | Y | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 166.8 | 165.7 | 73.4 | -80.4 | 0 | 0 | 0 | 111.2 | I88 F94 L97 L116 I117 G118 N119 V129 F145 | Y86-I88 HydrophobicContact CE2-CG2 3.93Å; Y86-F94 HydrophobicContact CD1-CD2 4.24Å; Y86-F94 HydrophobicContact CD2-CB 3.93Å; Y86-F94 AromaticContact CD2-CD2 3.92Å; Y86-F94 HydrophobicContact CD2-CD2 3.92Å; Y86-F94 HydrophobicContact CD2-CG 4.43Å; Y86-F94 HydrophobicContact CE1-CD2 4.1Å; Y86-F94 HydrophobicContact CE2-CB 4.43Å; Y86-F94 AromaticContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CG-CB 4.35Å; Y86-F94 HydrophobicContact CG-CD2 4.14Å; Y86-F94 AromaticContact CZ-CD2 3.88Å; Y86-L97 HydrophobicContact CD1-CD1 3.85Å; Y86-L97 HydrophobicContact CD1-CD2 4.35Å; Y86-L97 HydrophobicContact CE1-CD1 4.43Å; Y86-L97 HydrophobicContact CG-CD1 4.17Å; Y86-L116 HydrophobicContact CD1-CD1 3.76Å; Y86-L116 HydrophobicContact CD1-CG 4.34Å; Y86-L116 HydrophobicContact CE1-CD1 3.94Å; Y86-L116 HydrophobicContact CE1-CD2 4.24Å; Y86-L116 HydrophobicContact CE1-CG 4.03Å; Y86-I117 VanDerWaalsContact CD1-O 3.24Å; Y86-I117 WeakPolarHBondContact CD1-O 3.16Å; Y86-I117 PolarHBondContact N-O 2.79Å; Y86-G118 VanDerWaalsContact CZ-CA 3.41Å; Y86-N119 WeakPolarHBondContact O-CB 3.43Å; Y86-N119 PolarHBondContact O-N 3.07Å; Y86-V129 HydrophobicContact CE2-CB 3.97Å; Y86-V129 HydrophobicContact CE2-CG1 3.77Å; Y86-V129 HydrophobicContact CE2-CG2 4.31Å; Y86-F145 HydrophobicContact CE1-CE2 4.29Å |
| 87 | D | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.4 | 175.5 | 179.1 | -15.6 | 0 | 0 | 0 | 109.3 | V17 T89 R90 T93 K120 | V17-D87 HydrophobicContact CB-CB 4.31Å; V17-D87 HydrophobicContact CG1-CB 4.17Å; D87-T89 VanDerWaalsContact CG-OG1 3.29Å; D87-T89 PolarHBondContact O-N 2.81Å; D87-T89 WeakPolarHBondContact OD1-CB 3.28Å; D87-T89 PolarHBondContact OD1-N 3.15Å; D87-T89 PolarHBondContact OD1-OG1 2.9Å; D87-T89 PolarHBondContact OD2-OG1 2.94Å; D87-R90 HydrophobicContact CB-CB 4.2Å; D87-R90 HydrophobicContact CB-CG 4.45Å; D87-R90 PolarHBondContact O-N 2.86Å; D87-R90 WeakPolarHBondContact OD2-CD 3.41Å; D87-T93 HydrophobicContact CB-CG2 4.45Å; D87-T93 PolarHBondContact N-OG1 2.99Å; D87-T93 PolarHBondContact O-OG1 3.35Å; D87-K120 WeakPolarHBondContact OD2-CD 3.43Å; D87-K120 WeakPolarHBondContact OD2-CE 3.28Å; D87-K120 IonicContact OD2-NZ 2.65Å; D87-K120 PolarHBondContact OD2-NZ 2.77Å |
| 88 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.9 | -177.4 | 67 | 154.1 | 0 | 0 | 0 | 113.5 | Y86 N119 R127 D128 V129 | Y86-I88 HydrophobicContact CE2-CG2 3.93Å; I88-N119 PolarHBondContact N-O 3.24Å; I88-R127 HydrophobicContact CD1-CB 4.41Å; I88-R127 HydrophobicContact CD1-CG 4.48Å; I88-D128 PolarHBondContact O-N 2.99Å; I88-V129 PolarHBondContact O-N 2.85Å |
| 89 | T | 98.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 19% | 0.19 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.5 | 179.6 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | D87 L123 R126 | D87-T89 VanDerWaalsContact CG-OG1 3.29Å; D87-T89 PolarHBondContact O-N 2.81Å; D87-T89 WeakPolarHBondContact OD1-CB 3.28Å; D87-T89 PolarHBondContact OD1-N 3.15Å; D87-T89 PolarHBondContact OD1-OG1 2.9Å; D87-T89 PolarHBondContact OD2-OG1 2.94Å; T89-L123 HydrophobicContact CG2-CB 3.59Å; T89-L123 HydrophobicContact CG2-CD1 4.02Å; T89-L123 HydrophobicContact CG2-CG 4.46Å; T89-R126 WeakPolarHBondContact CA-O 3.29Å; T89-R126 WeakPolarHBondContact CB-O 3.3Å; T89-R126 HydrophobicContact CG2-CB 3.87Å |
| 90 | R | 98.4 | Very high | 98.1 | Very high | 85 Ų | 85 | 29.2 Ų | 29.2 | 32% | 0.321 | 15% | 0.146 | S | C | . | . | trans | -135.2 | 95.9 | -175.7 | -65.7 | 173.8 | 58.5 | -157.3 | -5.5 | 111.3 | T15 D87 E92 T93 | T15-R90 PolarHBondContact O-NH1 3.06Å; D87-R90 HydrophobicContact CB-CB 4.2Å; D87-R90 HydrophobicContact CB-CG 4.45Å; D87-R90 PolarHBondContact O-N 2.86Å; D87-R90 WeakPolarHBondContact OD2-CD 3.41Å; R90-E92 PolarHBondContact O-N 2.83Å; R90-E92 VanDerWaalsContact O-N 3.11Å; R90-T93 HydrophobicContact CB-CG2 3.87Å; R90-T93 VanDerWaalsContact CZ-CG2 3.45Å; R90-T93 PolarHBondContact O-N 2.84Å; R90-T93 PolarHBondContact O-OG1 3.39Å | ||
| 91 | R | 98.5 | Very high | 98.1 | Very high | 77 Ų | 77 | 29.3 Ų | 29.3 | 29% | 0.291 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -48.9 | -37.3 | 176.6 | 177.4 | 61.2 | 61.5 | 167.2 | 7 | 114.9 | T93 F94 T95 D128 E133 | R91-T93 VanDerWaalsContact C-N 3.3Å; R91-T93 PolarHBondContact O-N 2.82Å; R91-F94 WeakPolarHBondContact O-CB 3.28Å; R91-F94 PolarHBondContact O-N 3.41Å; R91-T95 PolarHBondContact O-N 3.01Å; R91-T95 PolarHBondContact O-OG1 3.31Å; R91-D128 WeakPolarHBondContact CB-OD2 3.25Å; R91-D128 PolarHBondContact N-OD2 3.22Å; R91-D128 PolarHBondContact NE-O 2.83Å; R91-D128 PolarHBondContact NH2-O 3.38Å; R91-E133 IonicContact CZ-OE1 3.67Å; R91-E133 IonicContact CZ-OE2 2.78Å; R91-E133 IonicContact NH1-OE1 2.71Å; R91-E133 PolarHBondContact NH1-OE1 2.87Å; R91-E133 IonicContact NH1-OE2 2.79Å; R91-E133 PolarHBondContact NH1-OE2 2.83Å; R91-E133 IonicContact NH2-OE1 3.17Å; R91-E133 PolarHBondContact NH2-OE1 2.76Å; R91-E133 IonicContact NH2-OE2 3.67Å; R91-E133 PolarHBondContact NH2-OE2 3.17Å |
| 92 | E | 98.2 | Very high | 98 | Very high | 114 Ų | 114 | 35.1 Ų | 35.1 | 53% | 0.533 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.2 | -43.9 | 179 | -176.3 | -176.3 | -165.8 | 0 | 0 | 111.8 | R90 F94 T95 H96 | R90-E92 PolarHBondContact O-N 2.83Å; R90-E92 VanDerWaalsContact O-N 3.11Å; E92-F94 PolarHBondContact O-N 3.29Å; E92-T95 WeakPolarHBondContact O-CB 3.4Å; E92-T95 PolarHBondContact O-N 3.15Å; E92-H96 WeakPolarHBondContact CG-CE1 3.27Å; E92-H96 PolarHBondContact O-N 2.88Å; E92-H96 IonicContact OE1-CE1 2.68Å |
| 93 | T | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.1 | -26.5 | -178.9 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | D14 V17 D87 R90 R91 | D14-T93 HydrophobicContact CB-CG2 3.94Å; V17-T93 HydrophobicContact CG1-CG2 3.76Å; D87-T93 HydrophobicContact CB-CG2 4.45Å; D87-T93 PolarHBondContact N-OG1 2.99Å; D87-T93 PolarHBondContact O-OG1 3.35Å; R90-T93 HydrophobicContact CB-CG2 3.87Å; R90-T93 VanDerWaalsContact CZ-CG2 3.45Å; R90-T93 PolarHBondContact O-N 2.84Å; R90-T93 PolarHBondContact O-OG1 3.39Å; R91-T93 VanDerWaalsContact C-N 3.3Å; R91-T93 PolarHBondContact O-N 2.82Å |
| 94 | F | 98.8 | Very high | 97.5 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 11% | 0.114 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.6 | -41.2 | 171.2 | 179.7 | -93.1 | 0 | 0 | 0 | 111.4 | Y86 R91 E92 H96 L97 V129 E133 F137 | Y86-F94 HydrophobicContact CD1-CD2 4.24Å; Y86-F94 HydrophobicContact CD2-CB 3.93Å; Y86-F94 AromaticContact CD2-CD2 3.92Å; Y86-F94 HydrophobicContact CD2-CD2 3.92Å; Y86-F94 HydrophobicContact CD2-CG 4.43Å; Y86-F94 HydrophobicContact CE1-CD2 4.1Å; Y86-F94 HydrophobicContact CE2-CB 4.43Å; Y86-F94 AromaticContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CE2-CD2 3.79Å; Y86-F94 HydrophobicContact CG-CB 4.35Å; Y86-F94 HydrophobicContact CG-CD2 4.14Å; Y86-F94 AromaticContact CZ-CD2 3.88Å; R91-F94 WeakPolarHBondContact O-CB 3.28Å; R91-F94 PolarHBondContact O-N 3.41Å; E92-F94 PolarHBondContact O-N 3.29Å; F94-H96 VanDerWaalsContact C-N 3.25Å; F94-H96 PolarHBondContact O-N 3.34Å; F94-L97 HydrophobicContact CB-CD1 4.36Å; F94-L97 HydrophobicContact CD2-CD1 3.37Å; F94-L97 HydrophobicContact CE2-CD1 3.76Å; F94-L97 HydrophobicContact CG-CD1 3.95Å; F94-L97 WeakPolarHBondContact O-CB 3.44Å; F94-L97 WeakPolarHBondContact O-CD1 3.38Å; F94-L97 WeakPolarHBondContact O-CG 3.17Å; F94-L97 PolarHBondContact O-N 3.28Å; F94-L97 VanDerWaalsContact O-N 3.07Å; F94-V129 HydrophobicContact CB-CG1 4.32Å; F94-V129 HydrophobicContact CB-CG2 3.77Å; F94-V129 HydrophobicContact CD1-CG1 4.36Å; F94-V129 HydrophobicContact CD2-CG1 3.68Å; F94-V129 HydrophobicContact CE2-CG1 4.03Å; F94-V129 HydrophobicContact CG-CG1 3.86Å; F94-V129 HydrophobicContact CG-CG2 4.18Å; F94-V129 HydrophobicContact CZ-CG1 4.5Å; F94-E133 HydrophobicContact CZ-CB 4.05Å; F94-F137 HydrophobicContact CE2-CB 4.22Å; F94-F137 HydrophobicContact CZ-CB 3.93Å; F94-F137 HydrophobicContact CZ-CD2 4.28Å; F94-F137 HydrophobicContact CZ-CG 4.36Å |
| 95 | T | 98.4 | Very high | 97.4 | Very high | 87 Ų | 87 | 41.9 Ų | 41.9 | 53% | 0.534 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.4 | -36.1 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | R91 E92 L97 | R91-T95 PolarHBondContact O-N 3.01Å; R91-T95 PolarHBondContact O-OG1 3.31Å; E92-T95 WeakPolarHBondContact O-CB 3.4Å; E92-T95 PolarHBondContact O-N 3.15Å; T95-L97 VanDerWaalsContact C-N 3.25Å; T95-L97 PolarHBondContact O-N 2.89Å |
| 96 | H | 97.8 | Very high | 97.2 | Very high | 64 Ų | 64 | 48.5 Ų | 48.5 | 30% | 0.296 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.9 | 177.6 | -61.8 | 159.2 | 0 | 0 | 0 | 114.7 | D14 E92 F94 T98 T99 W100 | D14-H96 IonicContact OD1-ND1 3.91Å; D14-H96 IonicContact OD2-CE1 3.88Å; D14-H96 IonicContact OD2-CG 3.53Å; D14-H96 IonicContact OD2-ND1 2.8Å; D14-H96 PolarHBondContact OD2-ND1 3.03Å; E92-H96 WeakPolarHBondContact CG-CE1 3.27Å; E92-H96 PolarHBondContact O-N 2.88Å; E92-H96 IonicContact OE1-CE1 2.68Å; F94-H96 VanDerWaalsContact C-N 3.25Å; F94-H96 PolarHBondContact O-N 3.34Å; H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 3.41Å; H96-T99 PolarHBondContact O-N 3.46Å; H96-W100 VanDerWaalsContact O-CD1 3.27Å; H96-W100 PolarHBondContact O-N 3.44Å; H96-W100 VanDerWaalsContact O-N 3.14Å |
| 97 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.7 | -38.7 | -179.9 | -73.1 | 171.2 | 0 | 0 | 0 | 112.4 | L84 Y86 F94 T95 T99 W100 L101 L116 F137 | L84-L97 HydrophobicContact CD1-CD2 3.74Å; L84-L97 HydrophobicContact CD2-CD2 3.87Å; L84-L97 HydrophobicContact CG-CD2 3.54Å; Y86-L97 HydrophobicContact CD1-CD1 3.85Å; Y86-L97 HydrophobicContact CD1-CD2 4.35Å; Y86-L97 HydrophobicContact CE1-CD1 4.43Å; Y86-L97 HydrophobicContact CG-CD1 4.17Å; F94-L97 HydrophobicContact CB-CD1 4.36Å; F94-L97 HydrophobicContact CD2-CD1 3.37Å; F94-L97 HydrophobicContact CE2-CD1 3.76Å; F94-L97 HydrophobicContact CG-CD1 3.95Å; F94-L97 WeakPolarHBondContact O-CB 3.44Å; F94-L97 WeakPolarHBondContact O-CD1 3.38Å; F94-L97 WeakPolarHBondContact O-CG 3.17Å; F94-L97 PolarHBondContact O-N 3.28Å; F94-L97 VanDerWaalsContact O-N 3.07Å; T95-L97 VanDerWaalsContact C-N 3.25Å; T95-L97 PolarHBondContact O-N 2.89Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-T99 PolarHBondContact O-N 2.8Å; L97-W100 PolarHBondContact O-N 3.49Å; L97-L101 VanDerWaalsContact O-CB 3.26Å; L97-L101 WeakPolarHBondContact O-CB 3.36Å; L97-L101 PolarHBondContact O-N 3.27Å; L97-L116 HydrophobicContact CD1-CD1 3.61Å; L97-L116 HydrophobicContact CD2-CD1 3.66Å; L97-L116 HydrophobicContact CG-CD1 4.28Å; L97-F137 HydrophobicContact CB-CE1 4.11Å; L97-F137 HydrophobicContact CB-CE2 3.97Å; L97-F137 HydrophobicContact CB-CZ 3.59Å; L97-F137 HydrophobicContact CD1-CE1 4.44Å |
| 98 | T | 97.6 | Very high | 96.5 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.7 | -47.8 | 177.9 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | H96 W100 L101 E102 | H96-T98 VanDerWaalsContact C-N 3.26Å; H96-T98 PolarHBondContact O-N 3.41Å; T98-W100 PolarHBondContact O-N 2.89Å; T98-L101 PolarHBondContact O-N 2.97Å; T98-E102 HydrophobicContact CG2-CG 4.4Å; T98-E102 WeakPolarHBondContact O-CB 3.16Å; T98-E102 VanDerWaalsContact O-CG 3.3Å; T98-E102 WeakPolarHBondContact O-CG 3.18Å; T98-E102 PolarHBondContact O-N 3.16Å |
| 99 | T | 95.6 | Very high | 96 | Very high | 70 Ų | 70 | 53.8 Ų | 53.8 | 43% | 0.429 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 177.6 | -48.7 | 0 | 0 | 0 | 0 | 112.5 | R69 H96 L97 D103 | R69-T99 PolarHBondContact NH1-O 2.94Å; H96-T99 PolarHBondContact O-N 3.46Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-T99 PolarHBondContact O-N 2.8Å; T99-D103 WeakPolarHBondContact O-CB 3.41Å; T99-D103 PolarHBondContact O-N 3Å |
| 100 | W | 96.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 175.2 | -77.7 | 108.9 | 0 | 0 | 0 | 112.8 | I12 G13 D14 R69 T72 L84 H96 L97 T98 A104 | I12-W100 HydrophobicContact CB-CE3 3.96Å; I12-W100 HydrophobicContact CB-CZ3 4.3Å; G13-W100 VanDerWaalsContact C-CE2 3.41Å; G13-W100 VanDerWaalsContact O-CZ2 3.29Å; G13-W100 WeakPolarHBondContact O-CZ2 3.47Å; D14-W100 PolarHBondContact OD1-NE1 3.01Å; R69-W100 VanDerWaalsContact CZ-CD2 3.45Å; R69-W100 VanDerWaalsContact CZ-CZ3 3.48Å; R69-W100 VanDerWaalsContact NH1-CE3 3.31Å; T72-W100 HydrophobicContact CG2-CZ3 4.17Å; L84-W100 HydrophobicContact CD1-CB 3.48Å; L84-W100 VanDerWaalsContact CD1-CB 3.48Å; L84-W100 HydrophobicContact CD1-CG 4.27Å; H96-W100 VanDerWaalsContact O-CD1 3.27Å; H96-W100 PolarHBondContact O-N 3.44Å; H96-W100 VanDerWaalsContact O-N 3.14Å; L97-W100 PolarHBondContact O-N 3.49Å; T98-W100 PolarHBondContact O-N 2.89Å; W100-A104 WeakPolarHBondContact O-CB 3.46Å; W100-A104 PolarHBondContact O-N 2.95Å; W100-A104 VanDerWaalsContact O-N 3.08Å |
| 101 | L | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.8 | -42 | -179.5 | 179.6 | 63 | 0 | 0 | 0 | 112 | L84 L97 T98 A104 R105 I114 F137 H141 L143 | L84-L101 HydrophobicContact CD2-CB 4.08Å; L84-L101 HydrophobicContact CD2-CD1 4.38Å; L97-L101 VanDerWaalsContact O-CB 3.26Å; L97-L101 WeakPolarHBondContact O-CB 3.36Å; L97-L101 PolarHBondContact O-N 3.27Å; T98-L101 PolarHBondContact O-N 2.97Å; L101-A104 PolarHBondContact O-N 3.31Å; L101-R105 HydrophobicContact CD1-CG 4.31Å; L101-R105 WeakPolarHBondContact O-CB 3.44Å; L101-R105 WeakPolarHBondContact O-CG 3.45Å; L101-R105 PolarHBondContact O-N 2.9Å; L101-I114 HydrophobicContact CD1-CD1 3.7Å; L101-I114 HydrophobicContact CD1-CG2 4.43Å; L101-F137 HydrophobicContact CD2-CE1 4.16Å; L101-F137 HydrophobicContact CD2-CZ 4.2Å; L101-H141 HydrophobicContact CD2-CB 3.69Å; L101-H141 WeakPolarHBondContact CD2-CD2 3.4Å; L101-L143 HydrophobicContact CD1-CD1 4.42Å; L101-L143 HydrophobicContact CD1-CD2 3.96Å; L101-L143 HydrophobicContact CD2-CD1 4.23Å |
| 102 | E | 95.5 | Very high | 95 | Very high | 122 Ų | 122 | 53 Ų | 53 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.4 | -50.3 | 175.1 | -75.9 | 176.1 | 174.5 | 0 | 0 | 111.1 | T98 A104 R105 Q106 | T98-E102 HydrophobicContact CG2-CG 4.4Å; T98-E102 WeakPolarHBondContact O-CB 3.16Å; T98-E102 VanDerWaalsContact O-CG 3.3Å; T98-E102 WeakPolarHBondContact O-CG 3.18Å; T98-E102 PolarHBondContact O-N 3.16Å; E102-A104 VanDerWaalsContact C-N 3.31Å; E102-A104 PolarHBondContact O-N 2.99Å; E102-R105 PolarHBondContact O-N 3.41Å; E102-Q106 WeakPolarHBondContact O-CB 3.49Å; E102-Q106 PolarHBondContact O-N 3.2Å |
| 103 | D | 93.2 | Very high | 95 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 176.1 | -100.2 | 0.3 | 0 | 0 | 0 | 111.2 | R69 R73 Y76 T99 Q106 H107 | R69-D103 WeakPolarHBondContact CD-OD2 3.17Å; R69-D103 IonicContact CZ-OD2 2.81Å; R69-D103 IonicContact NE-OD2 2.79Å; R69-D103 IonicContact NH1-OD2 3.68Å; R69-D103 PolarHBondContact NH1-OD2 3.2Å; R73-D103 IonicContact CZ-OD1 3.76Å; R73-D103 IonicContact NE-OD1 3.72Å; R73-D103 IonicContact NE-OD2 3.72Å; R73-D103 IonicContact NH2-OD1 2.96Å; R73-D103 PolarHBondContact NH2-OD1 3.47Å; R73-D103 IonicContact NH2-OD2 3.57Å; Y76-D103 HydrophobicContact CE2-CB 4.05Å; T99-D103 WeakPolarHBondContact O-CB 3.41Å; T99-D103 PolarHBondContact O-N 3Å; D103-Q106 PolarHBondContact O-N 3.09Å; D103-H107 PolarHBondContact O-CD2 3.22Å; D103-H107 PolarHBondContact O-N 2.8Å |
| 104 | A | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -48.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I12 Y76 W100 L101 E102 Q106 H107 S108 M112 | I12-A104 HydrophobicContact CD1-CB 3.9Å; Y76-A104 HydrophobicContact CD1-CB 4Å; Y76-A104 HydrophobicContact CE1-CB 3.57Å; W100-A104 WeakPolarHBondContact O-CB 3.46Å; W100-A104 PolarHBondContact O-N 2.95Å; W100-A104 VanDerWaalsContact O-N 3.08Å; L101-A104 PolarHBondContact O-N 3.31Å; E102-A104 VanDerWaalsContact C-N 3.31Å; E102-A104 PolarHBondContact O-N 2.99Å; A104-Q106 VanDerWaalsContact C-N 3.33Å; A104-Q106 PolarHBondContact O-N 2.73Å; A104-H107 PolarHBondContact O-N 3.08Å; A104-S108 VanDerWaalsContact O-CB 3.25Å; A104-S108 WeakPolarHBondContact O-CB 3.42Å; A104-S108 PolarHBondContact O-N 3.14Å; A104-S108 PolarHBondContact O-OG 2.88Å; A104-M112 HydrophobicContact CB-CE 3.94Å |
| 105 | R | 95.2 | Very high | 95 | Very high | 128 Ų | 128 | 47.4 Ų | 47.4 | 48% | 0.483 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -33.5 | 179.6 | -75.2 | 176.5 | 168.3 | 177.7 | -4.3 | 113.3 | L101 E102 H107 H141 | L101-R105 HydrophobicContact CD1-CG 4.31Å; L101-R105 WeakPolarHBondContact O-CB 3.44Å; L101-R105 WeakPolarHBondContact O-CG 3.45Å; L101-R105 PolarHBondContact O-N 2.9Å; E102-R105 PolarHBondContact O-N 3.41Å; R105-H107 VanDerWaalsContact C-N 3.28Å; R105-H107 PolarHBondContact O-N 3.44Å; R105-H141 PolarHBondContact NH2-O 3.36Å |
| 106 | Q | 94.1 | Very high | 95 | Very high | 139 Ų | 139 | 43.3 Ų | 43.3 | 65% | 0.65 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.3 | -28.1 | 178.7 | -173.1 | 175.4 | 18 | 0 | 0 | 112.4 | E102 D103 A104 | E102-Q106 WeakPolarHBondContact O-CB 3.49Å; E102-Q106 PolarHBondContact O-N 3.2Å; D103-Q106 PolarHBondContact O-N 3.09Å; A104-Q106 VanDerWaalsContact C-N 3.33Å; A104-Q106 PolarHBondContact O-N 2.73Å |
| 107 | H | 92 | Very high | 95.1 | Very high | 65 Ų | 65 | 40.2 Ų | 40.2 | 30% | 0.301 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -117.2 | -3 | -169.5 | -64.6 | -58.2 | 0 | 0 | 0 | 114.8 | Y76 R77 D103 A104 R105 | Y76-H107 CarbonylContact C-O 3.59Å; Y76-H107 HydrophobicContact CD2-CB 3.72Å; Y76-H107 HydrophobicContact CG-CB 4.05Å; R77-H107 PolarHBondContact N-O 3.18Å; D103-H107 PolarHBondContact O-CD2 3.22Å; D103-H107 PolarHBondContact O-N 2.8Å; A104-H107 PolarHBondContact O-N 3.08Å; R105-H107 VanDerWaalsContact C-N 3.28Å; R105-H107 PolarHBondContact O-N 3.44Å |
| 108 | S | 91.9 | Very high | 95.1 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 16% | 0.161 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -109.1 | 173.8 | 176.8 | 76.8 | 0 | 0 | 0 | 0 | 113.1 | A104 M112 | A104-S108 VanDerWaalsContact O-CB 3.25Å; A104-S108 WeakPolarHBondContact O-CB 3.42Å; A104-S108 PolarHBondContact O-N 3.14Å; A104-S108 PolarHBondContact O-OG 2.88Å; S108-M112 VanDerWaalsContact CB-SD 3.54Å; S108-M112 WeakPolarHBondContact OG-CE 3.45Å |
| 109 | S | 88.7 | Confident | 95.2 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | trans | -61.5 | 144 | 164.7 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | N111 M112 N183 | S109-N111 PolarHBondContact O-N 3.3Å; S109-N111 VanDerWaalsContact O-N 3.15Å; S109-N111 PolarHBondContact OG-N 3.07Å; S109-M112 WeakPolarHBondContact O-CB 3.34Å; S109-M112 PolarHBondContact O-N 2.85Å; S109-M112 VanDerWaalsContact O-N 3.15Å; S109-N183 PolarHBondContact OG-OD1 3.25Å | ||
| 110 | S | 88.4 | Confident | 95.3 | Very high | 116 Ų | 116 | 36.9 Ų | 36.9 | 81% | 0.811 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.6 | 174.3 | 58.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 111 | N | 90.6 | Very high | 95.4 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 25% | 0.246 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -1.3 | -179.3 | -67.3 | -34.2 | 0 | 0 | 0 | 113.9 | S109 V113 K170 V175 L176 | S109-N111 PolarHBondContact O-N 3.3Å; S109-N111 VanDerWaalsContact O-N 3.15Å; S109-N111 PolarHBondContact OG-N 3.07Å; N111-V113 PolarHBondContact O-N 2.91Å; N111-K170 PolarHBondContact O-NZ 3.34Å; N111-V175 PolarHBondContact ND2-O 2.76Å; N111-L176 HydrophobicContact CB-CD2 3.37Å; N111-L176 HydrophobicContact CB-CG 4.25Å |
| 112 | M | 95.4 | Very high | 95.5 | Very high | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | trans | -52.7 | 130.7 | 177.1 | -177.3 | 169.7 | 71.6 | 0 | 0 | 110.5 | A79 A82 A104 S108 S109 I114 | A79-M112 HydrophobicContact CB-SD 3.82Å; A82-M112 HydrophobicContact CB-CE 3.95Å; A82-M112 HydrophobicContact CB-SD 3.91Å; A104-M112 HydrophobicContact CB-CE 3.94Å; S108-M112 VanDerWaalsContact CB-SD 3.54Å; S108-M112 WeakPolarHBondContact OG-CE 3.45Å; S109-M112 WeakPolarHBondContact O-CB 3.34Å; S109-M112 PolarHBondContact O-N 2.85Å; S109-M112 VanDerWaalsContact O-N 3.15Å; M112-I114 HydrophobicContact CE-CD1 3.56Å; M112-I114 HydrophobicContact CE-CG1 3.77Å; M112-I114 HydrophobicContact CG-CG1 4.19Å | ||
| 113 | V | 97.9 | Very high | 95.6 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126.3 | 174.6 | 178 | 0 | 0 | 0 | 0 | 108.1 | A80 G81 A82 N111 I144 T163 C166 I167 K170 | A80-V113 PolarHBondContact O-N 2.91Å; G81-V113 CarbonylContact C-O 3.47Å; G81-V113 VanDerWaalsContact CA-O 3.22Å; G81-V113 WeakPolarHBondContact CA-O 3.38Å; A82-V113 PolarHBondContact N-O 2.94Å; N111-V113 PolarHBondContact O-N 2.91Å; V113-I144 HydrophobicContact CG1-CD1 3.83Å; V113-T163 HydrophobicContact CB-CG2 4.42Å; V113-T163 HydrophobicContact CG1-CG2 3.97Å; V113-C166 HydrophobicContact CG1-CB 3.77Å; V113-C166 HydrophobicContact CG2-CB 4.23Å; V113-I167 HydrophobicContact CB-CD1 4.46Å; V113-I167 HydrophobicContact CB-CG1 3.78Å; V113-I167 HydrophobicContact CG2-CB 4.5Å; V113-I167 HydrophobicContact CG2-CG1 3.58Å; V113-K170 HydrophobicContact CG2-CD 3.92Å |
| 114 | I | 98.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 8% | 0.077 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.8 | -178.7 | -51.8 | 180 | 0 | 0 | 0 | 108.6 | A82 L84 L101 M112 L143 I144 | A82-I114 HydrophobicContact CB-CG1 4.21Å; A82-I114 HydrophobicContact CB-CG2 4.34Å; A82-I114 WeakPolarHBondContact O-CA 3.34Å; L84-I114 HydrophobicContact CB-CG2 4.09Å; L101-I114 HydrophobicContact CD1-CD1 3.7Å; L101-I114 HydrophobicContact CD1-CG2 4.43Å; M112-I114 HydrophobicContact CE-CD1 3.56Å; M112-I114 HydrophobicContact CE-CG1 3.77Å; M112-I114 HydrophobicContact CG-CG1 4.19Å; I114-L143 HydrophobicContact CB-CD2 3.84Å; I114-L143 HydrophobicContact CD1-CD2 4.5Å; I114-L143 HydrophobicContact CG2-CD2 3.98Å; I114-I144 PolarHBondContact O-N 2.84Å; I114-I144 VanDerWaalsContact O-N 3.17Å |
| 115 | M | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.8 | 170.8 | 179.7 | 178.8 | -76.9 | 0 | 0 | 109.6 | A82 L83 L84 I117 I144 M146 A159 D162 T163 | A82-M115 PolarHBondContact O-N 3.21Å; L83-M115 HydrophobicContact CD2-CB 4Å; L84-M115 PolarHBondContact N-O 3.47Å; M115-I117 HydrophobicContact CG-CG1 4.05Å; M115-I117 HydrophobicContact SD-CD1 4.47Å; M115-I117 HydrophobicContact SD-CG1 4.24Å; M115-I144 CarbonylContact C-O 3.5Å; M115-I144 WeakPolarHBondContact CA-O 3.37Å; M115-I144 HydrophobicContact CB-CB 4.23Å; M115-I144 HydrophobicContact CE-CB 4.06Å; M115-I144 HydrophobicContact CE-CD1 4.31Å; M115-I144 HydrophobicContact CE-CG2 3.57Å; M115-I144 HydrophobicContact CG-CB 4.15Å; M115-I144 HydrophobicContact CG-CG2 4.42Å; M115-M146 HydrophobicContact SD-CB 4.25Å; M115-A159 WeakPolarHBondContact CE-O 3.16Å; M115-A159 WeakPolarHBondContact SD-CA 3.46Å; M115-A159 HydrophobicContact SD-CB 3.71Å; M115-D162 HydrophobicContact CE-CB 4.03Å; M115-T163 WeakPolarHBondContact CB-OG1 3.38Å; M115-T163 WeakPolarHBondContact CE-OG1 3.3Å |
| 116 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 128.6 | 166.7 | 178.6 | 66.6 | 0 | 0 | 0 | 109.6 | L84 Y86 L97 G134 F137 A138 L143 I144 F145 M146 | L84-L116 HydrophobicContact CD2-CD1 4.22Å; L84-L116 HydrophobicContact CG-CD1 4.16Å; L84-L116 CarbonylContact O-C 3.46Å; L84-L116 WeakPolarHBondContact O-CA 3.47Å; Y86-L116 HydrophobicContact CD1-CD1 3.76Å; Y86-L116 HydrophobicContact CD1-CG 4.34Å; Y86-L116 HydrophobicContact CE1-CD1 3.94Å; Y86-L116 HydrophobicContact CE1-CD2 4.24Å; Y86-L116 HydrophobicContact CE1-CG 4.03Å; L97-L116 HydrophobicContact CD1-CD1 3.61Å; L97-L116 HydrophobicContact CD2-CD1 3.66Å; L97-L116 HydrophobicContact CG-CD1 4.28Å; L116-G134 WeakPolarHBondContact CD2-O 3.47Å; L116-F137 HydrophobicContact CD2-CB 4.32Å; L116-F137 HydrophobicContact CD2-CD1 3.8Å; L116-F137 HydrophobicContact CD2-CG 4.4Å; L116-A138 HydrophobicContact CB-CB 4.4Å; L116-A138 HydrophobicContact CD2-CB 4.12Å; L116-L143 HydrophobicContact CB-CD1 4.18Å; L116-I144 PolarHBondContact N-O 2.87Å; L116-F145 HydrophobicContact CB-CD2 4.13Å; L116-F145 HydrophobicContact CD2-CD2 3.72Å; L116-F145 HydrophobicContact CD2-CE2 4.12Å; L116-F145 HydrophobicContact CG-CD2 3.86Å; L116-F145 HydrophobicContact CG-CE2 4.3Å; L116-F145 WeakPolarHBondContact O-CA 3.47Å; L116-M146 PolarHBondContact O-N 3.21Å |
| 117 | I | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 114.9 | 179.9 | -62.1 | -175.9 | 0 | 0 | 0 | 110.3 | L22 L83 L84 V85 Y86 M115 N119 M146 T148 A159 | L22-I117 HydrophobicContact CD1-CD1 4.49Å; L22-I117 HydrophobicContact CD1-CG2 4.18Å; L83-I117 HydrophobicContact CB-CD1 3.95Å; L83-I117 HydrophobicContact CD1-CD1 3.87Å; L83-I117 HydrophobicContact CD2-CD1 4.04Å; L83-I117 HydrophobicContact CG-CD1 4.16Å; L84-I117 PolarHBondContact O-N 3.33Å; V85-I117 WeakPolarHBondContact CA-O 3.21Å; V85-I117 HydrophobicContact CG1-CB 4.38Å; V85-I117 HydrophobicContact CG1-CG2 4.24Å; V85-I117 HydrophobicContact CG2-CB 4.26Å; Y86-I117 VanDerWaalsContact CD1-O 3.24Å; Y86-I117 WeakPolarHBondContact CD1-O 3.16Å; Y86-I117 PolarHBondContact N-O 2.79Å; M115-I117 HydrophobicContact CG-CG1 4.05Å; M115-I117 HydrophobicContact SD-CD1 4.47Å; M115-I117 HydrophobicContact SD-CG1 4.24Å; I117-N119 HydrophobicContact CG2-CB 4.25Å; I117-N119 PolarHBondContact O-N 2.76Å; I117-M146 VanDerWaalsContact CA-O 3.29Å; I117-M146 WeakPolarHBondContact CA-O 3.27Å; I117-T148 HydrophobicContact CG2-CG2 3.71Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.49Å; I117-A159 HydrophobicContact CD1-CB 3.84Å |
| 118 | G | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 95.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y86 M146 E147 T148 | Y86-G118 VanDerWaalsContact CZ-CA 3.41Å; G118-M146 PolarHBondContact N-O 2.76Å; G118-E147 CarbonylContact O-C 3.53Å; G118-E147 WeakPolarHBondContact O-CA 3.18Å; G118-E147 WeakPolarHBondContact O-CB 3.18Å; G118-T148 PolarHBondContact O-N 3.48Å |
| 119 | N | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.011 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 163.1 | -175.9 | -167.6 | 35.9 | 0 | 0 | 0 | 112.6 | V17 L22 V85 Y86 I88 I117 T148 A150 | V17-N119 PolarHBondContact O-ND2 3.39Å; L22-N119 HydrophobicContact CD1-CB 4.45Å; V85-N119 HydrophobicContact CG1-CB 3.8Å; Y86-N119 WeakPolarHBondContact O-CB 3.43Å; Y86-N119 PolarHBondContact O-N 3.07Å; I88-N119 PolarHBondContact N-O 3.24Å; I117-N119 HydrophobicContact CG2-CB 4.25Å; I117-N119 PolarHBondContact O-N 2.76Å; N119-T148 CarbonylContact C-O 3.49Å; N119-T148 VanDerWaalsContact CA-O 3.31Å; N119-T148 WeakPolarHBondContact CA-O 3.14Å; N119-T148 PolarHBondContact OD1-O 3.15Å; N119-T148 PolarHBondContact OD1-OG1 2.81Å; N119-A150 PolarHBondContact OD1-N 2.92Å |
| 120 | K | 98.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 23% | 0.226 | 25% | 0.247 | C | C | . | . | trans | 71 | 35.6 | -177.8 | -46.3 | -170.5 | -167.7 | 170.1 | 0 | 113.7 | G16 D87 D122 L123 T148 | G16-K120 WeakPolarHBondContact O-CE 3.39Å; G16-K120 PolarHBondContact O-NZ 2.8Å; D87-K120 WeakPolarHBondContact OD2-CD 3.43Å; D87-K120 WeakPolarHBondContact OD2-CE 3.28Å; D87-K120 IonicContact OD2-NZ 2.65Å; D87-K120 PolarHBondContact OD2-NZ 2.77Å; K120-D122 PolarHBondContact O-N 3.07Å; K120-D122 VanDerWaalsContact O-N 3.08Å; K120-L123 HydrophobicContact CB-CD1 4.12Å; K120-L123 HydrophobicContact CB-CG 4.39Å; K120-L123 HydrophobicContact CD-CD1 4.16Å; K120-L123 WeakPolarHBondContact O-CB 3.44Å; K120-L123 PolarHBondContact O-N 3.45Å; K120-T148 PolarHBondContact N-O 3.44Å | ||
| 121 | S | 98.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60.4 | -14.5 | 174.1 | 61.6 | 0 | 0 | 0 | 0 | 114.4 | L123 T148 | S121-L123 PolarHBondContact O-N 2.86Å; S121-T148 PolarHBondContact N-O 3Å; S121-T148 VanDerWaalsContact N-O 3.1Å; S121-T148 VanDerWaalsContact OG-C 3.24Å; S121-T148 PolarHBondContact OG-O 3.5Å; S121-T148 VanDerWaalsContact OG-O 3.12Å |
| 122 | D | 98.2 | Very high | 98.3 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -68.3 | -13.5 | 169.7 | 63.1 | -75 | 0 | 0 | 0 | 113.9 | K120 S149 K151 T152 | K120-D122 PolarHBondContact O-N 3.07Å; K120-D122 VanDerWaalsContact O-N 3.08Å; D122-S149 WeakPolarHBondContact CB-OG 3.27Å; D122-S149 VanDerWaalsContact CG-OG 3.25Å; D122-S149 WeakPolarHBondContact OD1-CB 3.26Å; D122-S149 PolarHBondContact OD1-OG 3.27Å; D122-K151 WeakPolarHBondContact OD2-CD 3.19Å; D122-K151 IonicContact OD2-NZ 3.12Å; D122-T152 HydrophobicContact CB-CG2 3.82Å |
| 123 | L | 97.7 | Very high | 98.4 | Very high | 44 Ų | 44 | 51.7 Ų | 51.7 | 23% | 0.23 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -101 | 37.6 | 179.3 | -57.9 | -178.7 | 0 | 0 | 0 | 112.4 | T89 K120 S121 S125 R126 R127 | T89-L123 HydrophobicContact CG2-CB 3.59Å; T89-L123 HydrophobicContact CG2-CD1 4.02Å; T89-L123 HydrophobicContact CG2-CG 4.46Å; K120-L123 HydrophobicContact CB-CD1 4.12Å; K120-L123 HydrophobicContact CB-CG 4.39Å; K120-L123 HydrophobicContact CD-CD1 4.16Å; K120-L123 WeakPolarHBondContact O-CB 3.44Å; K120-L123 PolarHBondContact O-N 3.45Å; S121-L123 PolarHBondContact O-N 2.86Å; L123-S125 PolarHBondContact O-N 3.48Å; L123-S125 VanDerWaalsContact O-N 3.1Å; L123-R126 WeakPolarHBondContact O-CA 3.47Å; L123-R126 PolarHBondContact O-N 3.12Å; L123-R127 PolarHBondContact O-N 3.01Å |
| 124 | E | 97.8 | Very high | 98.4 | Very high | 106 Ų | 106 | 51.3 Ų | 51.3 | 50% | 0.495 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -50.2 | -38.4 | -176.2 | -169.8 | 59.4 | -146.3 | 0 | 0 | 113.8 | R126 R127 | E124-R126 PolarHBondContact O-N 2.96Å; E124-R126 VanDerWaalsContact O-N 3.09Å; E124-R127 VanDerWaalsContact CD-NE 3.3Å; E124-R127 VanDerWaalsContact O-CB 3.25Å; E124-R127 WeakPolarHBondContact O-CB 3.48Å; E124-R127 PolarHBondContact O-N 3.09Å; E124-R127 IonicContact OE1-CZ 3.36Å; E124-R127 IonicContact OE1-NE 3.71Å; E124-R127 PolarHBondContact OE1-NE 3.31Å; E124-R127 IonicContact OE1-NH2 3.21Å; E124-R127 IonicContact OE2-CZ 3.41Å; E124-R127 IonicContact OE2-NE 3.69Å; E124-R127 PolarHBondContact OE2-NE 3.23Å; E124-R127 VanDerWaalsContact OE2-NE 3.12Å; E124-R127 IonicContact OE2-NH2 2.72Å; E124-R127 PolarHBondContact OE2-NH2 3.43Å |
| 125 | S | 98 | Very high | 98.5 | Very high | 120 Ų | 120 | 53.9 Ų | 53.9 | 84% | 0.839 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -66.5 | -11 | 177.8 | 61.1 | 0 | 0 | 0 | 0 | 114.8 | L123 | L123-S125 PolarHBondContact O-N 3.48Å; L123-S125 VanDerWaalsContact O-N 3.1Å |
| 126 | R | 98.1 | Very high | 98.5 | Very high | 177 Ų | 177 | 56.4 Ų | 56.4 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -115.1 | 12.1 | 176.9 | -57.3 | -177.1 | -177.2 | -176.8 | -0.1 | 112 | T89 L123 E124 D128 | T89-R126 WeakPolarHBondContact CA-O 3.29Å; T89-R126 WeakPolarHBondContact CB-O 3.3Å; T89-R126 HydrophobicContact CG2-CB 3.87Å; L123-R126 WeakPolarHBondContact O-CA 3.47Å; L123-R126 PolarHBondContact O-N 3.12Å; E124-R126 PolarHBondContact O-N 2.96Å; E124-R126 VanDerWaalsContact O-N 3.09Å; R126-D128 PolarHBondContact O-N 2.84Å |
| 127 | R | 98.6 | Very high | 98.5 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | trans | -57.8 | 127.9 | 179.4 | 178.2 | 179.6 | -70 | -85.6 | 5.4 | 110.2 | I88 L123 E124 V129 E147 | I88-R127 HydrophobicContact CD1-CB 4.41Å; I88-R127 HydrophobicContact CD1-CG 4.48Å; L123-R127 PolarHBondContact O-N 3.01Å; E124-R127 VanDerWaalsContact CD-NE 3.3Å; E124-R127 VanDerWaalsContact O-CB 3.25Å; E124-R127 WeakPolarHBondContact O-CB 3.48Å; E124-R127 PolarHBondContact O-N 3.09Å; E124-R127 IonicContact OE1-CZ 3.36Å; E124-R127 IonicContact OE1-NE 3.71Å; E124-R127 PolarHBondContact OE1-NE 3.31Å; E124-R127 IonicContact OE1-NH2 3.21Å; E124-R127 IonicContact OE2-CZ 3.41Å; E124-R127 IonicContact OE2-NE 3.69Å; E124-R127 PolarHBondContact OE2-NE 3.23Å; E124-R127 VanDerWaalsContact OE2-NE 3.12Å; E124-R127 IonicContact OE2-NH2 2.72Å; E124-R127 PolarHBondContact OE2-NH2 3.43Å; R127-V129 WeakPolarHBondContact CD-O 2.84Å; R127-V129 WeakPolarHBondContact CG-O 3.46Å; R127-V129 PolarHBondContact NH1-O 2.75Å; R127-E147 IonicContact CZ-OE1 3.78Å; R127-E147 IonicContact CZ-OE2 3.74Å; R127-E147 IonicContact NH1-OE1 3.77Å; R127-E147 PolarHBondContact NH1-OE1 2.65Å; R127-E147 IonicContact NH1-OE2 2.68Å; R127-E147 IonicContact NH2-OE1 2.67Å; R127-E147 PolarHBondContact NH2-OE1 3.4Å; R127-E147 IonicContact NH2-OE2 3.6Å; R127-E147 PolarHBondContact NH2-OE2 3Å | ||
| 128 | D | 98.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 42% | 0.422 | 29% | 0.288 | S | S | . | . | trans | -117 | -19.7 | 177 | -167.9 | 26.7 | 0 | 0 | 0 | 111.3 | I88 R91 R126 | I88-D128 PolarHBondContact O-N 2.99Å; R91-D128 WeakPolarHBondContact CB-OD2 3.25Å; R91-D128 PolarHBondContact N-OD2 3.22Å; R91-D128 PolarHBondContact NE-O 2.83Å; R91-D128 PolarHBondContact NH2-O 3.38Å; R126-D128 PolarHBondContact O-N 2.84Å | ||
| 129 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -115.3 | 119.7 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | Y86 I88 F94 R127 E133 | Y86-V129 HydrophobicContact CE2-CB 3.97Å; Y86-V129 HydrophobicContact CE2-CG1 3.77Å; Y86-V129 HydrophobicContact CE2-CG2 4.31Å; I88-V129 PolarHBondContact O-N 2.85Å; F94-V129 HydrophobicContact CB-CG1 4.32Å; F94-V129 HydrophobicContact CB-CG2 3.77Å; F94-V129 HydrophobicContact CD1-CG1 4.36Å; F94-V129 HydrophobicContact CD2-CG1 3.68Å; F94-V129 HydrophobicContact CE2-CG1 4.03Å; F94-V129 HydrophobicContact CG-CG1 3.86Å; F94-V129 HydrophobicContact CG-CG2 4.18Å; F94-V129 HydrophobicContact CZ-CG1 4.5Å; R127-V129 WeakPolarHBondContact CD-O 2.84Å; R127-V129 WeakPolarHBondContact CG-O 3.46Å; R127-V129 PolarHBondContact NH1-O 2.75Å; V129-E133 HydrophobicContact CG1-CB 4.14Å |
| 130 | Q | 98.4 | Very high | 98.4 | Very high | 93 Ų | 93 | 73.8 Ų | 73.8 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | trans | -71.6 | 149.4 | 178.2 | -58.6 | -55.2 | -40.2 | 0 | 0 | 110.7 | E132 E133 G134 | Q130-E132 WeakPolarHBondContact CB-OE2 3.1Å; Q130-E132 PolarHBondContact O-N 3.05Å; Q130-E133 HydrophobicContact CB-CG 4.14Å; Q130-E133 PolarHBondContact N-OE2 2.89Å; Q130-E133 WeakPolarHBondContact O-CB 3.41Å; Q130-E133 PolarHBondContact O-N 3.25Å; Q130-G134 PolarHBondContact O-N 2.69Å | ||
| 131 | K | 98.5 | Very high | 98.4 | Very high | 91 Ų | 91 | 73 Ų | 73 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -37.3 | -177.8 | -175.7 | 178.9 | 174.2 | -170.1 | 0 | 111.2 | E133 G134 E135 F145 E147 | K131-E133 PolarHBondContact O-N 2.8Å; K131-G134 PolarHBondContact O-N 3.39Å; K131-G134 VanDerWaalsContact O-N 3.12Å; K131-E135 VanDerWaalsContact CE-OE1 3.26Å; K131-E135 WeakPolarHBondContact CE-OE1 3.33Å; K131-E135 IonicContact NZ-OE1 3.71Å; K131-E135 PolarHBondContact O-N 2.9Å; K131-F145 HydrophobicContact CG-CE1 3.8Å; K131-F145 HydrophobicContact CG-CZ 4.2Å; K131-E147 HydrophobicContact CG-CG 4.36Å |
| 132 | E | 98.5 | Very high | 98.3 | Very high | 118 Ų | 118 | 75.1 Ų | 75.1 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.6 | -29.8 | 178.5 | -63.1 | 71.4 | -157.5 | 0 | 0 | 112.1 | Q130 A136 | Q130-E132 WeakPolarHBondContact CB-OE2 3.1Å; Q130-E132 PolarHBondContact O-N 3.05Å; E132-A136 WeakPolarHBondContact O-CB 3.23Å; E132-A136 PolarHBondContact O-N 2.78Å |
| 133 | E | 98.7 | Very high | 98.3 | Very high | 64 Ų | 64 | 73.7 Ų | 73.7 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.8 | -40.5 | 176.5 | -59 | 179.7 | 91.9 | 0 | 0 | 110.9 | R91 F94 V129 Q130 K131 A136 F137 | R91-E133 IonicContact CZ-OE1 3.67Å; R91-E133 IonicContact CZ-OE2 2.78Å; R91-E133 IonicContact NH1-OE1 2.71Å; R91-E133 PolarHBondContact NH1-OE1 2.87Å; R91-E133 IonicContact NH1-OE2 2.79Å; R91-E133 PolarHBondContact NH1-OE2 2.83Å; R91-E133 IonicContact NH2-OE1 3.17Å; R91-E133 PolarHBondContact NH2-OE1 2.76Å; R91-E133 IonicContact NH2-OE2 3.67Å; R91-E133 PolarHBondContact NH2-OE2 3.17Å; F94-E133 HydrophobicContact CZ-CB 4.05Å; V129-E133 HydrophobicContact CG1-CB 4.14Å; Q130-E133 HydrophobicContact CB-CG 4.14Å; Q130-E133 PolarHBondContact N-OE2 2.89Å; Q130-E133 WeakPolarHBondContact O-CB 3.41Å; Q130-E133 PolarHBondContact O-N 3.25Å; K131-E133 PolarHBondContact O-N 2.8Å; E133-A136 PolarHBondContact O-N 3.02Å; E133-F137 WeakPolarHBondContact O-CB 3.42Å; E133-F137 PolarHBondContact O-N 3.04Å |
| 134 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L116 Q130 K131 F137 A138 | L116-G134 WeakPolarHBondContact CD2-O 3.47Å; Q130-G134 PolarHBondContact O-N 2.69Å; K131-G134 PolarHBondContact O-N 3.39Å; K131-G134 VanDerWaalsContact O-N 3.12Å; G134-F137 PolarHBondContact O-N 3.26Å; G134-A138 WeakPolarHBondContact O-CB 3.24Å; G134-A138 PolarHBondContact O-N 3.42Å |
| 135 | E | 98.7 | Very high | 98.4 | Very high | 70 Ų | 70 | 70.8 Ų | 70.8 | 33% | 0.327 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.8 | -70.6 | 178.4 | 178.7 | 0 | 0 | 112.4 | K131 R139 F145 | K131-E135 VanDerWaalsContact CE-OE1 3.26Å; K131-E135 WeakPolarHBondContact CE-OE1 3.33Å; K131-E135 IonicContact NZ-OE1 3.71Å; K131-E135 PolarHBondContact O-N 2.9Å; E135-R139 VanDerWaalsContact O-CB 3.28Å; E135-R139 WeakPolarHBondContact O-CB 3.45Å; E135-R139 PolarHBondContact O-N 2.96Å; E135-F145 HydrophobicContact CB-CD1 4.32Å; E135-F145 HydrophobicContact CG-CD1 3.38Å; E135-F145 HydrophobicContact CG-CE1 3.5Å; E135-F145 VanDerWaalsContact CG-CE1 3.5Å; E135-F145 HydrophobicContact CG-CG 4.36Å |
| 136 | A | 98.7 | Very high | 98.4 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 44% | 0.438 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.1 | -48.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E132 E133 A138 R139 E140 | E132-A136 WeakPolarHBondContact O-CB 3.23Å; E132-A136 PolarHBondContact O-N 2.78Å; E133-A136 PolarHBondContact O-N 3.02Å; A136-A138 PolarHBondContact O-N 2.94Å; A136-R139 PolarHBondContact O-N 3.32Å; A136-E140 WeakPolarHBondContact O-CB 3.08Å; A136-E140 PolarHBondContact O-N 3.38Å |
| 137 | F | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 177.4 | -176.4 | -79.4 | 0 | 0 | 0 | 111.4 | F94 L97 L101 L116 E133 G134 R139 E140 H141 L143 | F94-F137 HydrophobicContact CE2-CB 4.22Å; F94-F137 HydrophobicContact CZ-CB 3.93Å; F94-F137 HydrophobicContact CZ-CD2 4.28Å; F94-F137 HydrophobicContact CZ-CG 4.36Å; L97-F137 HydrophobicContact CB-CE1 4.11Å; L97-F137 HydrophobicContact CB-CE2 3.97Å; L97-F137 HydrophobicContact CB-CZ 3.59Å; L97-F137 HydrophobicContact CD1-CE1 4.44Å; L101-F137 HydrophobicContact CD2-CE1 4.16Å; L101-F137 HydrophobicContact CD2-CZ 4.2Å; L116-F137 HydrophobicContact CD2-CB 4.32Å; L116-F137 HydrophobicContact CD2-CD1 3.8Å; L116-F137 HydrophobicContact CD2-CG 4.4Å; E133-F137 WeakPolarHBondContact O-CB 3.42Å; E133-F137 PolarHBondContact O-N 3.04Å; G134-F137 PolarHBondContact O-N 3.26Å; F137-R139 VanDerWaalsContact C-N 3.34Å; F137-R139 PolarHBondContact O-N 2.87Å; F137-E140 PolarHBondContact O-N 3.17Å; F137-H141 AromaticContact CD1-ND1 3.8Å; F137-H141 AromaticContact CD2-CE1 3.91Å; F137-H141 AromaticContact CD2-ND1 3.94Å; F137-H141 HydrophobicContact CE1-CB 4.49Å; F137-H141 AromaticContact CE1-ND1 3.77Å; F137-H141 AromaticContact CE2-CE1 3.64Å; F137-H141 AromaticContact CE2-ND1 3.9Å; F137-H141 AromaticContact CG-ND1 3.9Å; F137-H141 AromaticContact CZ-CE1 3.83Å; F137-H141 AromaticContact CZ-ND1 3.81Å; F137-H141 WeakPolarHBondContact O-CB 3.29Å; F137-H141 PolarHBondContact O-N 2.94Å; F137-H141 PolarHBondContact O-ND1 2.79Å; F137-L143 HydrophobicContact CD1-CD1 4.13Å; F137-L143 HydrophobicContact CE1-CD1 3.86Å |
| 138 | A | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L116 G134 A136 H141 G142 L143 F145 | L116-A138 HydrophobicContact CB-CB 4.4Å; L116-A138 HydrophobicContact CD2-CB 4.12Å; G134-A138 WeakPolarHBondContact O-CB 3.24Å; G134-A138 PolarHBondContact O-N 3.42Å; A136-A138 PolarHBondContact O-N 2.94Å; A138-H141 CarbonylContact O-C 3.6Å; A138-H141 PolarHBondContact O-N 3.41Å; A138-G142 PolarHBondContact O-N 2.71Å; A138-L143 HydrophobicContact CB-CB 4.06Å; A138-L143 PolarHBondContact O-N 2.72Å; A138-F145 HydrophobicContact CB-CB 3.62Å; A138-F145 HydrophobicContact CB-CG 4.37Å |
| 139 | R | 98.4 | Very high | 98.4 | Very high | 196 Ų | 196 | 53.8 Ų | 53.8 | 74% | 0.74 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.7 | -47 | 176.9 | -170.9 | -173.4 | -48.2 | -170.9 | 5 | 112.2 | E135 A136 F137 H141 G142 | E135-R139 VanDerWaalsContact O-CB 3.28Å; E135-R139 WeakPolarHBondContact O-CB 3.45Å; E135-R139 PolarHBondContact O-N 2.96Å; A136-R139 PolarHBondContact O-N 3.32Å; F137-R139 VanDerWaalsContact C-N 3.34Å; F137-R139 PolarHBondContact O-N 2.87Å; R139-H141 PolarHBondContact O-N 3.3Å; R139-G142 PolarHBondContact O-N 2.71Å |
| 140 | E | 98.3 | Very high | 98.4 | Very high | 152 Ų | 152 | 54 Ų | 54 | 71% | 0.71 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56.9 | -39.4 | 176.9 | -179.4 | -178.8 | -176.5 | 0 | 0 | 111.4 | A136 F137 | A136-E140 WeakPolarHBondContact O-CB 3.08Å; A136-E140 PolarHBondContact O-N 3.38Å; F137-E140 PolarHBondContact O-N 3.17Å |
| 141 | H | 97.9 | Very high | 98.3 | Very high | 35 Ų | 35 | 55.1 Ų | 55.1 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 5.9 | -176.4 | -64.6 | 87.2 | 0 | 0 | 0 | 113.9 | L101 R105 F137 A138 R139 L143 | L101-H141 HydrophobicContact CD2-CB 3.69Å; L101-H141 WeakPolarHBondContact CD2-CD2 3.4Å; R105-H141 PolarHBondContact NH2-O 3.36Å; F137-H141 AromaticContact CD1-ND1 3.8Å; F137-H141 AromaticContact CD2-CE1 3.91Å; F137-H141 AromaticContact CD2-ND1 3.94Å; F137-H141 HydrophobicContact CE1-CB 4.49Å; F137-H141 AromaticContact CE1-ND1 3.77Å; F137-H141 AromaticContact CE2-CE1 3.64Å; F137-H141 AromaticContact CE2-ND1 3.9Å; F137-H141 AromaticContact CG-ND1 3.9Å; F137-H141 AromaticContact CZ-CE1 3.83Å; F137-H141 AromaticContact CZ-ND1 3.81Å; F137-H141 WeakPolarHBondContact O-CB 3.29Å; F137-H141 PolarHBondContact O-N 2.94Å; F137-H141 PolarHBondContact O-ND1 2.79Å; A138-H141 CarbonylContact O-C 3.6Å; A138-H141 PolarHBondContact O-N 3.41Å; R139-H141 PolarHBondContact O-N 3.3Å; H141-L143 VanDerWaalsContact C-N 3.32Å; H141-L143 HydrophobicContact CB-CD1 3.96Å; H141-L143 HydrophobicContact CB-CD2 4.17Å; H141-L143 HydrophobicContact CB-CG 3.75Å; H141-L143 WeakPolarHBondContact O-CD2 3.27Å; H141-L143 PolarHBondContact O-N 3.44Å |
| 142 | G | 96.8 | Very high | 98.3 | Very high | 72 Ų | 72 | 54.8 Ų | 54.8 | 74% | 0.742 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 38 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A138 R139 | A138-G142 PolarHBondContact O-N 2.71Å; R139-G142 PolarHBondContact O-N 2.71Å |
| 143 | L | 98.3 | Very high | 98.3 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | trans | -102.4 | 156.9 | 178.1 | -41.1 | 177.9 | 0 | 0 | 0 | 110.2 | L84 L101 I114 L116 F137 A138 H141 | L84-L143 HydrophobicContact CD2-CD1 4.34Å; L101-L143 HydrophobicContact CD1-CD1 4.42Å; L101-L143 HydrophobicContact CD1-CD2 3.96Å; L101-L143 HydrophobicContact CD2-CD1 4.23Å; I114-L143 HydrophobicContact CB-CD2 3.84Å; I114-L143 HydrophobicContact CD1-CD2 4.5Å; I114-L143 HydrophobicContact CG2-CD2 3.98Å; L116-L143 HydrophobicContact CB-CD1 4.18Å; F137-L143 HydrophobicContact CD1-CD1 4.13Å; F137-L143 HydrophobicContact CE1-CD1 3.86Å; A138-L143 HydrophobicContact CB-CB 4.06Å; A138-L143 PolarHBondContact O-N 2.72Å; H141-L143 VanDerWaalsContact C-N 3.32Å; H141-L143 HydrophobicContact CB-CD1 3.96Å; H141-L143 HydrophobicContact CB-CD2 4.17Å; H141-L143 HydrophobicContact CB-CG 3.75Å; H141-L143 WeakPolarHBondContact O-CD2 3.27Å; H141-L143 PolarHBondContact O-N 3.44Å | ||
| 144 | I | 98.1 | Very high | 98.3 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 27% | 0.267 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 148.8 | 163.9 | -47.7 | 166.6 | 0 | 0 | 0 | 107.6 | V113 I114 M115 L116 C166 | V113-I144 HydrophobicContact CG1-CD1 3.83Å; I114-I144 PolarHBondContact O-N 2.84Å; I114-I144 VanDerWaalsContact O-N 3.17Å; M115-I144 CarbonylContact C-O 3.5Å; M115-I144 WeakPolarHBondContact CA-O 3.37Å; M115-I144 HydrophobicContact CB-CB 4.23Å; M115-I144 HydrophobicContact CE-CB 4.06Å; M115-I144 HydrophobicContact CE-CD1 4.31Å; M115-I144 HydrophobicContact CE-CG2 3.57Å; M115-I144 HydrophobicContact CG-CB 4.15Å; M115-I144 HydrophobicContact CG-CG2 4.42Å; L116-I144 PolarHBondContact N-O 2.87Å; I144-C166 HydrophobicContact CD1-CB 4.03Å; I144-C166 WeakPolarHBondContact CD1-SG 3.36Å |
| 145 | F | 98.7 | Very high | 98.3 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.6 | 177.6 | 177.2 | -111.6 | 0 | 0 | 0 | 112.3 | Y86 L116 K131 E135 A138 E147 | Y86-F145 HydrophobicContact CE1-CE2 4.29Å; L116-F145 HydrophobicContact CB-CD2 4.13Å; L116-F145 HydrophobicContact CD2-CD2 3.72Å; L116-F145 HydrophobicContact CD2-CE2 4.12Å; L116-F145 HydrophobicContact CG-CD2 3.86Å; L116-F145 HydrophobicContact CG-CE2 4.3Å; L116-F145 WeakPolarHBondContact O-CA 3.47Å; K131-F145 HydrophobicContact CG-CE1 3.8Å; K131-F145 HydrophobicContact CG-CZ 4.2Å; E135-F145 HydrophobicContact CB-CD1 4.32Å; E135-F145 HydrophobicContact CG-CD1 3.38Å; E135-F145 HydrophobicContact CG-CE1 3.5Å; E135-F145 VanDerWaalsContact CG-CE1 3.5Å; E135-F145 HydrophobicContact CG-CG 4.36Å; A138-F145 HydrophobicContact CB-CB 3.62Å; A138-F145 HydrophobicContact CB-CG 4.37Å; F145-E147 HydrophobicContact CE1-CG 4.19Å; F145-E147 HydrophobicContact CE2-CG 4.44Å; F145-E147 HydrophobicContact CZ-CG 3.66Å |
| 146 | M | 98.4 | Very high | 98.3 | Very high | 34 Ų | 34 | 50.3 Ų | 50.3 | 17% | 0.167 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 144.9 | 171.8 | -170.7 | 166.3 | -79.6 | 0 | 0 | 110.2 | M115 L116 I117 G118 T148 N155 D158 A159 | M115-M146 HydrophobicContact SD-CB 4.25Å; L116-M146 PolarHBondContact O-N 3.21Å; I117-M146 VanDerWaalsContact CA-O 3.29Å; I117-M146 WeakPolarHBondContact CA-O 3.27Å; G118-M146 PolarHBondContact N-O 2.76Å; M146-T148 HydrophobicContact CG-CG2 4.35Å; M146-N155 HydrophobicContact CG-CB 3.84Å; M146-N155 HydrophobicContact SD-CB 3.65Å; M146-D158 HydrophobicContact CE-CB 3.92Å; M146-D158 HydrophobicContact SD-CB 3.89Å; M146-A159 HydrophobicContact SD-CB 4.07Å |
| 147 | E | 98.8 | Very high | 98.2 | Very high | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.9 | 164.8 | -66.4 | -165.8 | 155.5 | 0 | 0 | 110.1 | G118 R127 K131 F145 N155 | G118-E147 CarbonylContact O-C 3.53Å; G118-E147 WeakPolarHBondContact O-CA 3.18Å; G118-E147 WeakPolarHBondContact O-CB 3.18Å; R127-E147 IonicContact CZ-OE1 3.78Å; R127-E147 IonicContact CZ-OE2 3.74Å; R127-E147 IonicContact NH1-OE1 3.77Å; R127-E147 PolarHBondContact NH1-OE1 2.65Å; R127-E147 IonicContact NH1-OE2 2.68Å; R127-E147 IonicContact NH2-OE1 2.67Å; R127-E147 PolarHBondContact NH2-OE1 3.4Å; R127-E147 IonicContact NH2-OE2 3.6Å; R127-E147 PolarHBondContact NH2-OE2 3Å; K131-E147 HydrophobicContact CG-CG 4.36Å; F145-E147 HydrophobicContact CE1-CG 4.19Å; F145-E147 HydrophobicContact CE2-CG 4.44Å; F145-E147 HydrophobicContact CZ-CG 3.66Å; E147-N155 VanDerWaalsContact O-CB 3.3Å; E147-N155 WeakPolarHBondContact O-CB 3.38Å; E147-N155 PolarHBondContact O-ND2 3.27Å |
| 148 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 159 | -177.2 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | I117 G118 N119 K120 S121 M146 A154 N155 A159 | I117-T148 HydrophobicContact CG2-CG2 3.71Å; I117-T148 WeakPolarHBondContact CG2-OG1 3.49Å; G118-T148 PolarHBondContact O-N 3.48Å; N119-T148 CarbonylContact C-O 3.49Å; N119-T148 VanDerWaalsContact CA-O 3.31Å; N119-T148 WeakPolarHBondContact CA-O 3.14Å; N119-T148 PolarHBondContact OD1-O 3.15Å; N119-T148 PolarHBondContact OD1-OG1 2.81Å; K120-T148 PolarHBondContact N-O 3.44Å; S121-T148 PolarHBondContact N-O 3Å; S121-T148 VanDerWaalsContact N-O 3.1Å; S121-T148 VanDerWaalsContact OG-C 3.24Å; S121-T148 PolarHBondContact OG-O 3.5Å; S121-T148 VanDerWaalsContact OG-O 3.12Å; M146-T148 HydrophobicContact CG-CG2 4.35Å; T148-A154 WeakPolarHBondContact CA-O 3.48Å; T148-N155 HydrophobicContact CG2-CB 4.01Å; T148-A159 HydrophobicContact CG2-CB 4.08Å |
| 149 | S | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -129.1 | 111.8 | 160 | 172 | 0 | 0 | 0 | 0 | 109.9 | D122 K151 T152 A153 A154 V156 | D122-S149 WeakPolarHBondContact CB-OG 3.27Å; D122-S149 VanDerWaalsContact CG-OG 3.25Å; D122-S149 WeakPolarHBondContact OD1-CB 3.26Å; D122-S149 PolarHBondContact OD1-OG 3.27Å; S149-K151 PolarHBondContact O-N 3.19Å; S149-K151 PolarHBondContact OG-N 2.98Å; S149-T152 VanDerWaalsContact CB-OG1 3.23Å; S149-T152 WeakPolarHBondContact CB-OG1 3.21Å; S149-T152 PolarHBondContact O-N 3.02Å; S149-T152 PolarHBondContact OG-N 3.27Å; S149-T152 VanDerWaalsContact OG-N 3.13Å; S149-T152 PolarHBondContact OG-OG1 2.98Å; S149-A153 CarbonylContact O-C 3.46Å; S149-A153 WeakPolarHBondContact O-CA 3.3Å; S149-A153 PolarHBondContact O-N 3.4Å; S149-A154 PolarHBondContact N-O 3.05Å; S149-A154 PolarHBondContact O-N 3.48Å; S149-V156 WeakPolarHBondContact O-CG2 3.37Å | ||
| 150 | A | 97.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C21 L22 Q25 F31 N119 | C21-A150 HydrophobicContact CB-CB 3.45Å; C21-A150 VanDerWaalsContact CB-CB 3.45Å; L22-A150 HydrophobicContact CD2-CB 3.99Å; L22-A150 HydrophobicContact CG-CB 4.26Å; Q25-A150 WeakPolarHBondContact CG-O 3.17Å; F31-A150 HydrophobicContact CD2-CB 4.21Å; F31-A150 WeakPolarHBondContact CD2-O 3.36Å; F31-A150 HydrophobicContact CE2-CB 4.34Å; N119-A150 PolarHBondContact OD1-N 2.92Å |
| 151 | K | 97.4 | Very high | 98.2 | Very high | 117 Ų | 117 | 38.2 Ų | 38.2 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -44.1 | -179.7 | -175 | -170.5 | -176.8 | -177.6 | 0 | 112.5 | F31 D122 S149 | F31-K151 HydrophobicContact CD1-CB 4.27Å; F31-K151 HydrophobicContact CD1-CG 3.98Å; F31-K151 HydrophobicContact CD2-CB 4.2Å; F31-K151 HydrophobicContact CE1-CB 4.08Å; F31-K151 HydrophobicContact CE1-CG 3.8Å; F31-K151 HydrophobicContact CE2-CB 4.01Å; F31-K151 HydrophobicContact CG-CB 4.33Å; F31-K151 HydrophobicContact CG-CG 4.47Å; F31-K151 HydrophobicContact CZ-CB 3.94Å; F31-K151 HydrophobicContact CZ-CG 4.15Å; D122-K151 WeakPolarHBondContact OD2-CD 3.19Å; D122-K151 IonicContact OD2-NZ 3.12Å; S149-K151 PolarHBondContact O-N 3.19Å; S149-K151 PolarHBondContact OG-N 2.98Å |
| 152 | T | 97.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 52% | 0.521 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 0 | -176.6 | 66 | 0 | 0 | 0 | 0 | 113.3 | D122 S149 A154 | D122-T152 HydrophobicContact CB-CG2 3.82Å; S149-T152 VanDerWaalsContact CB-OG1 3.23Å; S149-T152 WeakPolarHBondContact CB-OG1 3.21Å; S149-T152 PolarHBondContact O-N 3.02Å; S149-T152 PolarHBondContact OG-N 3.27Å; S149-T152 VanDerWaalsContact OG-N 3.13Å; S149-T152 PolarHBondContact OG-OG1 2.98Å; T152-A154 PolarHBondContact O-N 2.54Å; T152-A154 WeakPolarHBondContact OG1-CB 3.45Å; T152-A154 PolarHBondContact OG1-N 3.42Å |
| 153 | A | 98.1 | Very high | 98.3 | Very high | 47 Ų | 47 | 35.3 Ų | 35.3 | 39% | 0.388 | 19% | 0.192 | S | C | . | . | trans | 67 | 0.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q25 S149 N155 V156 | Q25-A153 HydrophobicContact CG-CB 4.32Å; S149-A153 CarbonylContact O-C 3.46Å; S149-A153 WeakPolarHBondContact O-CA 3.3Å; S149-A153 PolarHBondContact O-N 3.4Å; A153-N155 PolarHBondContact O-N 2.87Å; A153-N155 VanDerWaalsContact O-N 3.16Å; A153-V156 PolarHBondContact O-N 3.48Å | ||
| 154 | A | 98.6 | Very high | 98.3 | Very high | 36 Ų | 36 | 34.3 Ų | 34.3 | 30% | 0.298 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 122.9 | -176 | 0 | 0 | 0 | 0 | 0 | 110.6 | T148 S149 T152 V156 | T148-A154 WeakPolarHBondContact CA-O 3.48Å; S149-A154 PolarHBondContact N-O 3.05Å; S149-A154 PolarHBondContact O-N 3.48Å; T152-A154 PolarHBondContact O-N 2.54Å; T152-A154 WeakPolarHBondContact OG1-CB 3.45Å; T152-A154 PolarHBondContact OG1-N 3.42Å; A154-V156 PolarHBondContact O-N 3.16Å |
| 155 | N | 98.5 | Very high | 98.2 | Very high | 71 Ų | 71 | 36.7 Ų | 36.7 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 8.3 | 177.4 | -61.1 | -18.3 | 0 | 0 | 0 | 115.7 | M146 E147 T148 A153 D158 A159 | M146-N155 HydrophobicContact CG-CB 3.84Å; M146-N155 HydrophobicContact SD-CB 3.65Å; E147-N155 VanDerWaalsContact O-CB 3.3Å; E147-N155 WeakPolarHBondContact O-CB 3.38Å; E147-N155 PolarHBondContact O-ND2 3.27Å; T148-N155 HydrophobicContact CG2-CB 4.01Å; A153-N155 PolarHBondContact O-N 2.87Å; A153-N155 VanDerWaalsContact O-N 3.16Å; N155-D158 PolarHBondContact O-N 3.35Å; N155-A159 WeakPolarHBondContact O-CB 3.29Å; N155-A159 PolarHBondContact O-N 3Å |
| 156 | V | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -45.9 | -179.4 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | L22 Q25 F26 S149 A153 A154 F160 | L22-V156 HydrophobicContact CD2-CG1 4.36Å; L22-V156 HydrophobicContact CD2-CG2 3.86Å; Q25-V156 HydrophobicContact CB-CG1 4.17Å; Q25-V156 HydrophobicContact CG-CB 4.33Å; Q25-V156 HydrophobicContact CG-CG1 4.08Å; Q25-V156 HydrophobicContact CG-CG2 4.12Å; F26-V156 HydrophobicContact CB-CG1 4.04Å; S149-V156 WeakPolarHBondContact O-CG2 3.37Å; A153-V156 PolarHBondContact O-N 3.48Å; A154-V156 PolarHBondContact O-N 3.16Å; V156-F160 HydrophobicContact CG1-CE2 4.27Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.06Å |
| 157 | E | 97.9 | Very high | 98.1 | Very high | 68 Ų | 68 | 35.9 Ų | 35.9 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 178.5 | -166.5 | 113.4 | -147.5 | 0 | 0 | 111.5 | K29 R46 A159 F160 I161 | K29-E157 IonicContact NZ-OE1 3.37Å; K29-E157 IonicContact NZ-OE2 2.77Å; K29-E157 PolarHBondContact NZ-OE2 3.24Å; R46-E157 IonicContact CZ-OE1 3.45Å; R46-E157 IonicContact NH1-OE1 3.33Å; R46-E157 PolarHBondContact NH1-OE1 2.82Å; R46-E157 IonicContact NH1-OE2 3.78Å; R46-E157 IonicContact NH2-OE1 2.71Å; R46-E157 PolarHBondContact NH2-OE1 3.4Å; R46-E157 IonicContact NH2-OE2 3.71Å; E157-A159 PolarHBondContact O-N 3.43Å; E157-F160 PolarHBondContact O-N 3.15Å; E157-I161 HydrophobicContact CG-CD1 3.53Å; E157-I161 HydrophobicContact CG-CG1 4.43Å; E157-I161 WeakPolarHBondContact O-CB 3.37Å; E157-I161 WeakPolarHBondContact O-CG1 3.31Å; E157-I161 PolarHBondContact O-N 3.46Å |
| 158 | D | 98.3 | Very high | 98 | Very high | 69 Ų | 69 | 34.9 Ų | 34.9 | 37% | 0.369 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.7 | -39.7 | -176.9 | -58.1 | -41.8 | 0 | 0 | 0 | 111.7 | M146 N155 F160 I161 D162 | M146-D158 HydrophobicContact CE-CB 3.92Å; M146-D158 HydrophobicContact SD-CB 3.89Å; N155-D158 PolarHBondContact O-N 3.35Å; D158-F160 VanDerWaalsContact C-N 3.33Å; D158-F160 PolarHBondContact O-N 2.92Å; D158-I161 PolarHBondContact O-N 2.88Å; D158-D162 VanDerWaalsContact O-CB 3.27Å; D158-D162 WeakPolarHBondContact O-CB 3.49Å; D158-D162 PolarHBondContact O-N 2.84Å |
| 159 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M115 I117 M146 T148 N155 E157 T163 | M115-A159 WeakPolarHBondContact CE-O 3.16Å; M115-A159 WeakPolarHBondContact SD-CA 3.46Å; M115-A159 HydrophobicContact SD-CB 3.71Å; I117-A159 HydrophobicContact CD1-CB 3.84Å; M146-A159 HydrophobicContact SD-CB 4.07Å; T148-A159 HydrophobicContact CG2-CB 4.08Å; N155-A159 WeakPolarHBondContact O-CB 3.29Å; N155-A159 PolarHBondContact O-N 3Å; E157-A159 PolarHBondContact O-N 3.43Å; A159-T163 WeakPolarHBondContact O-CB 3.49Å; A159-T163 PolarHBondContact O-N 2.9Å; A159-T163 PolarHBondContact O-OG1 3.14Å |
| 160 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.7 | -41.6 | 177.9 | -72.5 | -93.8 | 0 | 0 | 0 | 112.1 | Y9 I11 F26 L57 I59 L83 V156 E157 D158 A164 | Y9-F160 HydrophobicContact CD1-CD1 4.11Å; Y9-F160 HydrophobicContact CE1-CD1 4.26Å; Y9-F160 PolarHBondContact OH-O 2.93Å; I11-F160 HydrophobicContact CD1-CE1 4.27Å; I11-F160 HydrophobicContact CD1-CZ 4.03Å; F26-F160 HydrophobicContact CB-CD2 3.82Å; F26-F160 HydrophobicContact CB-CE2 3.57Å; F26-F160 HydrophobicContact CB-CG 4.47Å; F26-F160 HydrophobicContact CB-CZ 4.02Å; F26-F160 HydrophobicContact CD1-CB 4.42Å; F26-F160 AromaticContact CD1-CD1 3.92Å; F26-F160 HydrophobicContact CD1-CD1 3.92Å; F26-F160 HydrophobicContact CD1-CD2 4.09Å; F26-F160 HydrophobicContact CD1-CE1 4.16Å; F26-F160 HydrophobicContact CD1-CE2 4.34Å; F26-F160 AromaticContact CD1-CG 3.89Å; F26-F160 HydrophobicContact CD1-CG 3.89Å; F26-F160 HydrophobicContact CD1-CZ 4.36Å; F26-F160 HydrophobicContact CD2-CB 3.83Å; F26-F160 AromaticContact CD2-CD2 3.5Å; F26-F160 HydrophobicContact CD2-CD2 3.5Å; F26-F160 VanDerWaalsContact CD2-CD2 3.5Å; F26-F160 HydrophobicContact CD2-CE2 4.17Å; F26-F160 AromaticContact CD2-CG 3.72Å; F26-F160 HydrophobicContact CD2-CG 3.72Å; F26-F160 HydrophobicContact CE1-CB 4.06Å; F26-F160 HydrophobicContact CE1-CD1 4Å; F26-F160 AromaticContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE1-CG 3.97Å; F26-F160 HydrophobicContact CE2-CB 3.43Å; F26-F160 VanDerWaalsContact CE2-CB 3.43Å; F26-F160 HydrophobicContact CE2-CD2 4.05Å; F26-F160 AromaticContact CE2-CG 3.83Å; F26-F160 HydrophobicContact CE2-CG 3.83Å; F26-F160 HydrophobicContact CG-CB 4.31Å; F26-F160 HydrophobicContact CG-CD1 4.2Å; F26-F160 AromaticContact CG-CD2 3.52Å; F26-F160 HydrophobicContact CG-CD2 3.52Å; F26-F160 HydrophobicContact CG-CE1 4.41Å; F26-F160 AromaticContact CG-CE2 3.78Å; F26-F160 HydrophobicContact CG-CE2 3.78Å; F26-F160 AromaticContact CG-CG 3.76Å; F26-F160 HydrophobicContact CG-CG 3.76Å; F26-F160 HydrophobicContact CG-CZ 4.22Å; F26-F160 HydrophobicContact CZ-CB 3.56Å; F26-F160 HydrophobicContact CZ-CD1 4.38Å; F26-F160 AromaticContact CZ-CG 3.94Å; F26-F160 HydrophobicContact CZ-CG 3.94Å; L57-F160 HydrophobicContact CD1-CB 4.3Å; I59-F160 HydrophobicContact CD1-CD1 3.84Å; I59-F160 HydrophobicContact CD1-CE1 3.66Å; I59-F160 HydrophobicContact CG1-CD1 4.44Å; I59-F160 HydrophobicContact CG1-CE1 4.22Å; I59-F160 HydrophobicContact CG2-CE1 4.12Å; L83-F160 HydrophobicContact CD1-CD1 3.75Å; L83-F160 HydrophobicContact CD1-CD2 4.14Å; L83-F160 HydrophobicContact CD1-CE1 3.35Å; L83-F160 HydrophobicContact CD1-CE2 3.8Å; L83-F160 HydrophobicContact CD1-CG 4.14Å; L83-F160 HydrophobicContact CD1-CZ 3.39Å; V156-F160 HydrophobicContact CG1-CE2 4.27Å; V156-F160 VanDerWaalsContact O-CD2 3.27Å; V156-F160 WeakPolarHBondContact O-CD2 3.06Å; E157-F160 PolarHBondContact O-N 3.15Å; D158-F160 VanDerWaalsContact C-N 3.33Å; D158-F160 PolarHBondContact O-N 2.92Å; F160-A164 PolarHBondContact O-N 3.38Å; F160-A164 VanDerWaalsContact O-N 3.15Å |
| 161 | I | 98 | Very high | 97.5 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.1 | -44.4 | -176.3 | -70.2 | 177.5 | 0 | 0 | 0 | 111.4 | I48 E157 D158 A164 K165 | I48-I161 HydrophobicContact CD1-CG1 4.49Å; E157-I161 HydrophobicContact CG-CD1 3.53Å; E157-I161 HydrophobicContact CG-CG1 4.43Å; E157-I161 WeakPolarHBondContact O-CB 3.37Å; E157-I161 WeakPolarHBondContact O-CG1 3.31Å; E157-I161 PolarHBondContact O-N 3.46Å; D158-I161 PolarHBondContact O-N 2.88Å; I161-A164 CarbonylContact O-C 3.55Å; I161-A164 WeakPolarHBondContact O-CA 3.36Å; I161-A164 WeakPolarHBondContact O-CB 3.4Å; I161-A164 PolarHBondContact O-N 3.32Å; I161-K165 HydrophobicContact CG2-CD 4.31Å; I161-K165 HydrophobicContact CG2-CG 4.36Å; I161-K165 WeakPolarHBondContact O-CG 3.33Å; I161-K165 PolarHBondContact O-N 3.11Å |
| 162 | D | 98.2 | Very high | 97.3 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.1 | -35.8 | -177.6 | -71.8 | -11.8 | 0 | 0 | 0 | 111.5 | M115 D158 A164 K165 C166 | M115-D162 HydrophobicContact CE-CB 4.03Å; D158-D162 VanDerWaalsContact O-CB 3.27Å; D158-D162 WeakPolarHBondContact O-CB 3.49Å; D158-D162 PolarHBondContact O-N 2.84Å; D162-A164 PolarHBondContact O-N 3.03Å; D162-K165 PolarHBondContact O-N 3.04Å; D162-K165 IonicContact OD1-NZ 3.61Å; D162-K165 PolarHBondContact OD1-NZ 2.81Å; D162-C166 PolarHBondContact O-N 3.32Å; D162-C166 PolarHBondContact O-SG 3.01Å |
| 163 | T | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.8 | -41.4 | 166.8 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | Y9 L83 V113 M115 A159 C166 I167 | Y9-T163 HydrophobicContact CE1-CG2 3.73Å; Y9-T163 VanDerWaalsContact OH-C 3.28Å; Y9-T163 WeakPolarHBondContact OH-CB 3.49Å; Y9-T163 WeakPolarHBondContact OH-CG2 3.32Å; L83-T163 HydrophobicContact CD2-CG2 4.48Å; V113-T163 HydrophobicContact CB-CG2 4.42Å; V113-T163 HydrophobicContact CG1-CG2 3.97Å; M115-T163 WeakPolarHBondContact CB-OG1 3.38Å; M115-T163 WeakPolarHBondContact CE-OG1 3.3Å; A159-T163 WeakPolarHBondContact O-CB 3.49Å; A159-T163 PolarHBondContact O-N 2.9Å; A159-T163 PolarHBondContact O-OG1 3.14Å; T163-C166 PolarHBondContact O-N 3.02Å; T163-I167 HydrophobicContact CG2-CD1 4.32Å; T163-I167 WeakPolarHBondContact O-CG1 3.5Å; T163-I167 PolarHBondContact O-N 3.05Å; T163-I167 VanDerWaalsContact O-N 3.1Å |
| 164 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.1 | -36 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F7 Y9 I48 I50 L57 F160 I161 D162 C166 I167 H168 | F7-A164 HydrophobicContact CD2-CB 4.23Å; F7-A164 HydrophobicContact CE2-CB 4.41Å; Y9-A164 WeakPolarHBondContact OH-CA 3.38Å; Y9-A164 WeakPolarHBondContact OH-CB 3.12Å; Y9-A164 PolarHBondContact OH-N 3.49Å; I48-A164 HydrophobicContact CD1-CB 3.61Å; I50-A164 HydrophobicContact CD1-CB 3.43Å; I50-A164 VanDerWaalsContact CD1-CB 3.43Å; L57-A164 HydrophobicContact CD2-CB 4.23Å; F160-A164 PolarHBondContact O-N 3.38Å; F160-A164 VanDerWaalsContact O-N 3.15Å; I161-A164 CarbonylContact O-C 3.55Å; I161-A164 WeakPolarHBondContact O-CA 3.36Å; I161-A164 WeakPolarHBondContact O-CB 3.4Å; I161-A164 PolarHBondContact O-N 3.32Å; D162-A164 PolarHBondContact O-N 3.03Å; A164-C166 VanDerWaalsContact C-N 3.35Å; A164-I167 PolarHBondContact O-N 2.95Å; A164-H168 WeakPolarHBondContact O-CB 3.38Å; A164-H168 PolarHBondContact O-N 2.99Å |
| 165 | K | 97.9 | Very high | 96.4 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62 | -43.4 | 173.4 | -71.1 | 175.7 | -171.8 | 151 | 0 | 110.8 | I50 I161 D162 I167 H168 G169 | I50-K165 HydrophobicContact CD1-CG 3.82Å; I50-K165 HydrophobicContact CG1-CG 4.28Å; I50-K165 HydrophobicContact CG2-CG 4.07Å; I161-K165 HydrophobicContact CG2-CD 4.31Å; I161-K165 HydrophobicContact CG2-CG 4.36Å; I161-K165 WeakPolarHBondContact O-CG 3.33Å; I161-K165 PolarHBondContact O-N 3.11Å; D162-K165 PolarHBondContact O-N 3.04Å; D162-K165 IonicContact OD1-NZ 3.61Å; D162-K165 PolarHBondContact OD1-NZ 2.81Å; K165-I167 PolarHBondContact O-N 3.03Å; K165-H168 PolarHBondContact O-N 3.32Å; K165-G169 PolarHBondContact O-N 2.86Å |
| 166 | C | 97.3 | Very high | 96 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 37% | 0.365 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 175.6 | -72.5 | 0 | 0 | 0 | 0 | 112.5 | V113 I144 D162 T163 A164 G169 K170 | V113-C166 HydrophobicContact CG1-CB 3.77Å; V113-C166 HydrophobicContact CG2-CB 4.23Å; I144-C166 HydrophobicContact CD1-CB 4.03Å; I144-C166 WeakPolarHBondContact CD1-SG 3.36Å; D162-C166 PolarHBondContact O-N 3.32Å; D162-C166 PolarHBondContact O-SG 3.01Å; T163-C166 PolarHBondContact O-N 3.02Å; A164-C166 VanDerWaalsContact C-N 3.35Å; C166-G169 PolarHBondContact O-N 2.98Å; C166-K170 WeakPolarHBondContact O-CG 3.42Å; C166-K170 PolarHBondContact O-N 3.32Å; C166-K170 VanDerWaalsContact O-N 3.07Å |
| 167 | I | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 173.7 | -64.1 | 164.9 | 0 | 0 | 0 | 110.2 | F7 Y9 A80 V113 T163 A164 K165 G169 K170 I171 L176 I185 | F7-I167 HydrophobicContact CD1-CG2 4.05Å; F7-I167 HydrophobicContact CD2-CB 4.1Å; F7-I167 HydrophobicContact CD2-CD1 4.2Å; F7-I167 HydrophobicContact CD2-CG2 3.85Å; F7-I167 HydrophobicContact CE1-CG2 3.85Å; F7-I167 HydrophobicContact CE2-CB 3.86Å; F7-I167 HydrophobicContact CE2-CG2 3.63Å; F7-I167 HydrophobicContact CG-CG2 4.07Å; F7-I167 HydrophobicContact CZ-CB 4.31Å; F7-I167 HydrophobicContact CZ-CG2 3.65Å; Y9-I167 HydrophobicContact CE2-CD1 3.68Å; A80-I167 HydrophobicContact CB-CD1 4.01Å; A80-I167 HydrophobicContact CB-CG2 4.35Å; V113-I167 HydrophobicContact CB-CD1 4.46Å; V113-I167 HydrophobicContact CB-CG1 3.78Å; V113-I167 HydrophobicContact CG2-CB 4.5Å; V113-I167 HydrophobicContact CG2-CG1 3.58Å; T163-I167 HydrophobicContact CG2-CD1 4.32Å; T163-I167 WeakPolarHBondContact O-CG1 3.5Å; T163-I167 PolarHBondContact O-N 3.05Å; T163-I167 VanDerWaalsContact O-N 3.1Å; A164-I167 PolarHBondContact O-N 2.95Å; K165-I167 PolarHBondContact O-N 3.03Å; I167-G169 PolarHBondContact O-N 2.84Å; I167-K170 PolarHBondContact O-N 2.88Å; I167-I171 HydrophobicContact CG2-CD1 4.33Å; I167-I171 WeakPolarHBondContact O-CG1 3.4Å; I167-I171 PolarHBondContact O-N 3.12Å; I167-I171 VanDerWaalsContact O-N 3.11Å; I167-L176 HydrophobicContact CG2-CD1 4.02Å; I167-I185 HydrophobicContact CG2-CD1 4.04Å; I167-I185 HydrophobicContact CG2-CG1 4.3Å |
| 168 | H | 96.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 178.5 | -175.1 | -115.2 | 0 | 0 | 0 | 112.1 | Y5 F7 I50 D51 K53 A164 K165 K170 I171 Q172 | Y5-H168 AromaticContact CE2-CD2 3.86Å; Y5-H168 AromaticContact CE2-NE2 3.94Å; F7-H168 HydrophobicContact CE2-CB 4.49Å; F7-H168 HydrophobicContact CZ-CB 4.43Å; I50-H168 HydrophobicContact CG2-CB 4.38Å; D51-H168 IonicContact OD2-CE1 3.5Å; D51-H168 IonicContact OD2-ND1 3.32Å; D51-H168 PolarHBondContact OD2-ND1 3.16Å; K53-H168 PolarHBondContact NZ-NE2 3.01Å; K53-H168 VanDerWaalsContact NZ-NE2 3.18Å; A164-H168 WeakPolarHBondContact O-CB 3.38Å; A164-H168 PolarHBondContact O-N 2.99Å; K165-H168 PolarHBondContact O-N 3.32Å; H168-K170 PolarHBondContact O-N 2.97Å; H168-I171 WeakPolarHBondContact O-CB 3.21Å; H168-I171 PolarHBondContact O-N 3.1Å; H168-I171 VanDerWaalsContact O-N 3.12Å; H168-Q172 VanDerWaalsContact CE1-CD 3.44Å; H168-Q172 PolarHBondContact CE1-NE2 2.65Å; H168-Q172 PolarHBondContact ND1-OE1 2.9Å; H168-Q172 WeakPolarHBondContact O-CG 3.37Å; H168-Q172 PolarHBondContact O-N 3.18Å |
| 169 | G | 96 | Very high | 94.3 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K165 C166 I167 I171 Q172 E173 | K165-G169 PolarHBondContact O-N 2.86Å; C166-G169 PolarHBondContact O-N 2.98Å; I167-G169 PolarHBondContact O-N 2.84Å; G169-I171 PolarHBondContact O-N 2.79Å; G169-Q172 WeakPolarHBondContact O-CB 3.38Å; G169-Q172 PolarHBondContact O-N 3.16Å; G169-E173 WeakPolarHBondContact O-CG 3.39Å; G169-E173 PolarHBondContact O-N 3.12Å |
| 170 | K | 95.3 | Very high | 93.7 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -30.3 | 175.2 | -74.4 | -173.4 | -178.3 | -170.1 | 0 | 113.6 | N111 V113 C166 I167 H168 G174 V175 L176 | N111-K170 PolarHBondContact O-NZ 3.34Å; V113-K170 HydrophobicContact CG2-CD 3.92Å; C166-K170 WeakPolarHBondContact O-CG 3.42Å; C166-K170 PolarHBondContact O-N 3.32Å; C166-K170 VanDerWaalsContact O-N 3.07Å; I167-K170 PolarHBondContact O-N 2.88Å; H168-K170 PolarHBondContact O-N 2.97Å; K170-G174 PolarHBondContact O-N 2.81Å; K170-V175 HydrophobicContact CB-CB 4.23Å; K170-V175 HydrophobicContact CD-CG1 4.49Å; K170-V175 WeakPolarHBondContact O-CB 3.44Å; K170-V175 PolarHBondContact O-N 2.71Å; K170-L176 HydrophobicContact CB-CB 4.35Å; K170-L176 HydrophobicContact CB-CD1 3.58Å; K170-L176 HydrophobicContact CB-CG 3.83Å; K170-L176 HydrophobicContact CD-CD1 4.01Å; K170-L176 HydrophobicContact CD-CG 4.32Å; K170-L176 HydrophobicContact CG-CD1 4.46Å; K170-L176 PolarHBondContact O-N 3.17Å |
| 171 | I | 93.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.3 | -45.4 | 172.4 | -66 | 166.4 | 0 | 0 | 0 | 110 | Y5 F7 I167 H168 G169 E173 G174 L176 V178 I185 | Y5-I171 HydrophobicContact CD1-CD1 4.5Å; F7-I171 HydrophobicContact CE1-CD1 3.57Å; F7-I171 HydrophobicContact CZ-CD1 3.67Å; I167-I171 HydrophobicContact CG2-CD1 4.33Å; I167-I171 WeakPolarHBondContact O-CG1 3.4Å; I167-I171 PolarHBondContact O-N 3.12Å; I167-I171 VanDerWaalsContact O-N 3.11Å; H168-I171 WeakPolarHBondContact O-CB 3.21Å; H168-I171 PolarHBondContact O-N 3.1Å; H168-I171 VanDerWaalsContact O-N 3.12Å; G169-I171 PolarHBondContact O-N 2.79Å; I171-E173 VanDerWaalsContact C-N 3.29Å; I171-E173 PolarHBondContact O-N 2.98Å; I171-G174 PolarHBondContact O-N 2.79Å; I171-G174 VanDerWaalsContact O-N 3.09Å; I171-L176 HydrophobicContact CG1-CB 3.93Å; I171-L176 HydrophobicContact CG1-CD1 4.47Å; I171-V178 HydrophobicContact CD1-CG1 4.13Å; I171-V178 HydrophobicContact CG1-CG1 4.07Å; I171-V178 HydrophobicContact CG2-CG1 3.67Å; I171-I185 HydrophobicContact CD1-CD1 3.69Å; I171-I185 HydrophobicContact CD1-CG1 4.38Å; I171-I185 HydrophobicContact CD1-CG2 4.16Å; I171-I185 HydrophobicContact CG1-CD1 3.84Å |
| 172 | Q | 93 | Very high | 92.4 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.5 | -34.4 | 179.8 | -69 | 174.4 | -55.8 | 0 | 0 | 112.5 | H168 G169 G174 | H168-Q172 VanDerWaalsContact CE1-CD 3.44Å; H168-Q172 PolarHBondContact CE1-NE2 2.65Å; H168-Q172 PolarHBondContact ND1-OE1 2.9Å; H168-Q172 WeakPolarHBondContact O-CG 3.37Å; H168-Q172 PolarHBondContact O-N 3.18Å; G169-Q172 WeakPolarHBondContact O-CB 3.38Å; G169-Q172 PolarHBondContact O-N 3.16Å; Q172-G174 PolarHBondContact O-N 3.33Å |
| 173 | E | 93.9 | Very high | 91.9 | Very high | 149 Ų | 149 | 55.8 Ų | 55.8 | 70% | 0.696 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -6.6 | 175.5 | -68.4 | 169.5 | -174.7 | 0 | 0 | 113.3 | G169 I171 V175 | G169-E173 WeakPolarHBondContact O-CG 3.39Å; G169-E173 PolarHBondContact O-N 3.12Å; I171-E173 VanDerWaalsContact C-N 3.29Å; I171-E173 PolarHBondContact O-N 2.98Å; E173-V175 HydrophobicContact CB-CG2 4.03Å; E173-V175 PolarHBondContact O-N 2.77Å |
| 174 | G | 91.3 | Very high | 91.5 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 9.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K170 I171 Q172 | K170-G174 PolarHBondContact O-N 2.81Å; I171-G174 PolarHBondContact O-N 2.79Å; I171-G174 VanDerWaalsContact O-N 3.09Å; Q172-G174 PolarHBondContact O-N 3.33Å |
| 175 | V | 90.5 | Very high | 91.2 | Very high | 66 Ų | 66 | 56 Ų | 56 | 40% | 0.4 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -71.2 | -38.1 | 175.9 | 178 | 0 | 0 | 0 | 0 | 111.1 | N111 K170 E173 | N111-V175 PolarHBondContact ND2-O 2.76Å; K170-V175 HydrophobicContact CB-CB 4.23Å; K170-V175 HydrophobicContact CD-CG1 4.49Å; K170-V175 WeakPolarHBondContact O-CB 3.44Å; K170-V175 PolarHBondContact O-N 2.71Å; E173-V175 HydrophobicContact CB-CG2 4.03Å; E173-V175 PolarHBondContact O-N 2.77Å |
| 176 | L | 89 | Confident | 91 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -103.1 | 107.1 | 176.5 | -76 | 173.8 | 0 | 0 | 0 | 110.9 | N111 I167 K170 I171 V178 N183 I185 | N111-L176 HydrophobicContact CB-CD2 3.37Å; N111-L176 HydrophobicContact CB-CG 4.25Å; I167-L176 HydrophobicContact CG2-CD1 4.02Å; K170-L176 HydrophobicContact CB-CB 4.35Å; K170-L176 HydrophobicContact CB-CD1 3.58Å; K170-L176 HydrophobicContact CB-CG 3.83Å; K170-L176 HydrophobicContact CD-CD1 4.01Å; K170-L176 HydrophobicContact CD-CG 4.32Å; K170-L176 HydrophobicContact CG-CD1 4.46Å; K170-L176 PolarHBondContact O-N 3.17Å; I171-L176 HydrophobicContact CG1-CB 3.93Å; I171-L176 HydrophobicContact CG1-CD1 4.47Å; L176-V178 PolarHBondContact O-N 2.79Å; L176-N183 HydrophobicContact CD2-CB 4.02Å; L176-I185 HydrophobicContact CB-CD1 3.99Å; L176-I185 HydrophobicContact CD1-CD1 3.81Å; L176-I185 HydrophobicContact CD2-CD1 4.49Å; L176-I185 HydrophobicContact CG-CD1 4.33Å |
| 177 | D | 87.2 | Confident | 90.6 | Very high | 82 Ų | 82 | 55.6 Ų | 55.6 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | trans | -71.7 | 117.6 | 167.5 | 179.7 | 12.3 | 0 | 0 | 0 | 110.2 | N179 N180 N183 | D177-N179 VanDerWaalsContact C-N 3.25Å; D177-N179 PolarHBondContact O-N 2.92Å; D177-N179 WeakPolarHBondContact OD1-CB 3.34Å; D177-N179 PolarHBondContact OD1-N 3.2Å; D177-N179 PolarHBondContact OD1-ND2 2.68Å; D177-N180 HydrophobicContact CB-CB 4.26Å; D177-N180 PolarHBondContact O-N 2.67Å; D177-N183 PolarHBondContact O-ND2 3.25Å | ||
| 178 | V | 86.6 | Confident | 90.1 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -16.2 | 179.9 | -61.7 | 0 | 0 | 0 | 0 | 113.5 | Y5 I171 L176 I185 L187 | Y5-V178 HydrophobicContact CE1-CG1 4.25Å; I171-V178 HydrophobicContact CD1-CG1 4.13Å; I171-V178 HydrophobicContact CG1-CG1 4.07Å; I171-V178 HydrophobicContact CG2-CG1 3.67Å; L176-V178 PolarHBondContact O-N 2.79Å; V178-I185 HydrophobicContact CB-CG2 4.28Å; V178-I185 HydrophobicContact CG1-CG2 4Å; V178-L187 HydrophobicContact CB-CD2 4.27Å; V178-L187 HydrophobicContact CB-CG 4.41Å; V178-L187 HydrophobicContact CG2-CD1 4.17Å; V178-L187 HydrophobicContact CG2-CD2 4.09Å; V178-L187 HydrophobicContact CG2-CG 4.22Å |
| 179 | N | 85.4 | Confident | 89.3 | Confident | 121 Ų | 121 | 60.5 Ų | 60.5 | 65% | 0.647 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -15 | 176.6 | -55 | -68.8 | 0 | 0 | 0 | 112.2 | D177 E181 | D177-N179 VanDerWaalsContact C-N 3.25Å; D177-N179 PolarHBondContact O-N 2.92Å; D177-N179 WeakPolarHBondContact OD1-CB 3.34Å; D177-N179 PolarHBondContact OD1-N 3.2Å; D177-N179 PolarHBondContact OD1-ND2 2.68Å; N179-E181 PolarHBondContact O-N 3.03Å |
| 180 | N | 86.5 | Confident | 87.9 | Confident | 77 Ų | 77 | 67.2 Ų | 67.2 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | trans | -85 | 102.4 | 175.2 | -175.5 | -9.4 | 0 | 0 | 0 | 110.1 | D177 A182 N183 | D177-N180 HydrophobicContact CB-CB 4.26Å; D177-N180 PolarHBondContact O-N 2.67Å; N180-A182 PolarHBondContact O-N 3.28Å; N180-A182 VanDerWaalsContact OD1-CB 3.22Å; N180-A182 WeakPolarHBondContact OD1-CB 3.36Å; N180-A182 PolarHBondContact OD1-N 3.38Å; N180-A182 VanDerWaalsContact OD1-N 3.08Å; N180-N183 WeakPolarHBondContact O-CB 3.46Å; N180-N183 PolarHBondContact O-N 2.63Å | ||
| 181 | E | 82.5 | Confident | 86 | Confident | 149 Ų | 149 | 69 Ų | 69 | 70% | 0.696 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -57.3 | -23.5 | -178.8 | -62.3 | -163.5 | 142.4 | 0 | 0 | 113.9 | N179 N183 G184 | N179-E181 PolarHBondContact O-N 3.03Å; E181-N183 PolarHBondContact O-N 3.31Å; E181-G184 PolarHBondContact O-N 3.37Å; E181-G184 VanDerWaalsContact O-N 3.15Å |
| 182 | A | 85.5 | Confident | 83.7 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -64.9 | -19.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | N180 G184 | N180-A182 PolarHBondContact O-N 3.28Å; N180-A182 VanDerWaalsContact OD1-CB 3.22Å; N180-A182 WeakPolarHBondContact OD1-CB 3.36Å; N180-A182 PolarHBondContact OD1-N 3.38Å; N180-A182 VanDerWaalsContact OD1-N 3.08Å; A182-G184 VanDerWaalsContact C-N 3.26Å; A182-G184 PolarHBondContact O-N 3.07Å |
| 183 | N | 89.5 | Confident | 81.6 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 4% | 0.043 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -79.6 | -5 | 177 | -71.3 | -27.7 | 0 | 0 | 0 | 113.6 | A80 S109 L176 D177 N180 E181 I185 | A80-N183 WeakPolarHBondContact CA-O 3.44Å; A80-N183 VanDerWaalsContact CB-O 3.25Å; A80-N183 WeakPolarHBondContact CB-O 3.46Å; S109-N183 PolarHBondContact OG-OD1 3.25Å; L176-N183 HydrophobicContact CD2-CB 4.02Å; D177-N183 PolarHBondContact O-ND2 3.25Å; N180-N183 WeakPolarHBondContact O-CB 3.46Å; N180-N183 PolarHBondContact O-N 2.63Å; E181-N183 PolarHBondContact O-N 3.31Å; N183-I185 HydrophobicContact CB-CD1 4.4Å; N183-I185 PolarHBondContact O-N 2.88Å |
| 184 | G | 89.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | S | Bend | trans | 70.9 | 17.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K8 G78 E181 A182 | K8-G184 PolarHBondContact N-O 3.46Å; G78-G184 WeakPolarHBondContact O-CA 3.37Å; E181-G184 PolarHBondContact O-N 3.37Å; E181-G184 VanDerWaalsContact O-N 3.15Å; A182-G184 VanDerWaalsContact C-N 3.26Å; A182-G184 PolarHBondContact O-N 3.07Å |
| 185 | I | 92 | Very high | 76.6 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.015 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 138.4 | 177.7 | -61.7 | 157.9 | 0 | 0 | 0 | 108.5 | Y5 L6 F7 A80 I167 I171 L176 V178 N183 | Y5-I185 HydrophobicContact CD1-CG2 4.29Å; L6-I185 CarbonylContact O-C 3.59Å; L6-I185 WeakPolarHBondContact O-CA 3.23Å; F7-I185 HydrophobicContact CD1-CB 4.42Å; F7-I185 HydrophobicContact CD1-CG1 3.86Å; F7-I185 HydrophobicContact CD1-CG2 4.08Å; F7-I185 HydrophobicContact CE1-CG1 4.03Å; F7-I185 HydrophobicContact CE1-CG2 3.91Å; A80-I185 HydrophobicContact CB-CG1 4.01Å; I167-I185 HydrophobicContact CG2-CD1 4.04Å; I167-I185 HydrophobicContact CG2-CG1 4.3Å; I171-I185 HydrophobicContact CD1-CD1 3.69Å; I171-I185 HydrophobicContact CD1-CG1 4.38Å; I171-I185 HydrophobicContact CD1-CG2 4.16Å; I171-I185 HydrophobicContact CG1-CD1 3.84Å; L176-I185 HydrophobicContact CB-CD1 3.99Å; L176-I185 HydrophobicContact CD1-CD1 3.81Å; L176-I185 HydrophobicContact CD2-CD1 4.49Å; L176-I185 HydrophobicContact CG-CD1 4.33Å; V178-I185 HydrophobicContact CB-CG2 4.28Å; V178-I185 HydrophobicContact CG1-CG2 4Å; N183-I185 HydrophobicContact CB-CD1 4.4Å; N183-I185 PolarHBondContact O-N 2.88Å |
| 186 | K | 92.1 | Very high | 73.8 | Confident | 94 Ų | 94 | 74.5 Ų | 74.5 | 41% | 0.409 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140.5 | 168.6 | -63.6 | -173.8 | 172 | -166.7 | 0 | 110.6 | Y5 L6 | Y5-K186 CarbonylContact C-O 3.6Å; Y5-K186 WeakPolarHBondContact CA-O 3.34Å; L6-K186 HydrophobicContact CB-CB 4.24Å; L6-K186 PolarHBondContact N-O 3.1Å; L6-K186 PolarHBondContact O-N 2.84Å |
| 187 | L | 90.5 | Very high | 71.4 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 28% | 0.277 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 141.7 | 169.1 | -66.4 | 175.2 | 0 | 0 | 0 | 110.3 | Y5 V178 H191 | Y5-L187 HydrophobicContact CD1-CD2 3.8Å; Y5-L187 HydrophobicContact CE1-CD2 3.55Å; V178-L187 HydrophobicContact CB-CD2 4.27Å; V178-L187 HydrophobicContact CB-CG 4.41Å; V178-L187 HydrophobicContact CG2-CD1 4.17Å; V178-L187 HydrophobicContact CG2-CD2 4.09Å; V178-L187 HydrophobicContact CG2-CG 4.22Å; L187-H191 HydrophobicContact CB-CB 4.01Å; L187-H191 HydrophobicContact CD1-CB 4.25Å; L187-H191 HydrophobicContact CD2-CB 4.3Å; L187-H191 HydrophobicContact CG-CB 4.43Å |
| 188 | G | 86.4 | Confident | 68.9 | Low | 5 Ų | 5 | 85.6 Ų | 85.6 | 5% | 0.052 | 50% | 0.497 | C | S | . | . | trans | -72.2 | 163.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y3 A4 H190 H191 | Y3-G188 VanDerWaalsContact CE2-CA 3.46Å; Y3-G188 WeakPolarHBondContact O-CA 3.25Å; A4-G188 PolarHBondContact O-N 2.93Å; G188-H190 PolarHBondContact O-N 3.3Å; G188-H191 PolarHBondContact O-N 3.08Å | ||
| 189 | P | 79.7 | Confident | 66.5 | Low | 99 Ų | 99 | 91.1 Ų | 91.1 | 64% | 0.643 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -9.2 | -168.3 | 21.8 | -32.3 | 0 | 0 | 0 | 116.2 | ||
| 190 | H | 65.8 | Low | 64 | Low | 158 Ų | 158 | 93.1 Ų | 93.1 | 73% | 0.731 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 3.5 | 177.1 | -70.4 | -57.2 | 0 | 0 | 0 | 114.4 | G188 N192 | G188-H190 PolarHBondContact O-N 3.3Å; H190-N192 PolarHBondContact O-N 2.59Å |
| 191 | H | 56.3 | Low | 61.8 | Low | 94 Ų | 94 | 94.2 Ų | 94.2 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | trans | -80.6 | 77.5 | 172 | -146.7 | -67.8 | 0 | 0 | 0 | 109 | L187 G188 P193 | L187-H191 HydrophobicContact CB-CB 4.01Å; L187-H191 HydrophobicContact CD1-CB 4.25Å; L187-H191 HydrophobicContact CD2-CB 4.3Å; L187-H191 HydrophobicContact CG-CB 4.43Å; G188-H191 PolarHBondContact O-N 3.08Å; H191-P193 WeakPolarHBondContact O-CD 3.09Å | ||
| 192 | N | 44.9 | Very low | 59.5 | Low | 131 Ų | 131 | 94 Ų | 94 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | trans | -58.8 | 125.2 | 163.1 | -88.3 | -13.2 | 0 | 0 | 0 | 107 | H190 V194 | H190-N192 PolarHBondContact O-N 2.59Å; N192-V194 PolarHBondContact O-N 3.27Å | ||
| 193 | P | 47.4 | Very low | 57.3 | Low | 112 Ų | 112 | 99.6 Ų | 99.6 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | trans | -60.2 | 109.5 | 169.5 | 22.2 | -27.7 | 0 | 0 | 0 | 107.4 | H191 G195 | H191-P193 WeakPolarHBondContact O-CD 3.09Å; P193-G195 PolarHBondContact O-N 3.13Å | ||
| 194 | V | 42.7 | Very low | 54.7 | Low | 150 Ų | 150 | 104.7 Ų | 104.7 | 91% | 0.909 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -62.5 | 105.6 | 170.1 | 179.1 | 0 | 0 | 0 | 0 | 106.2 | N192 | N192-V194 PolarHBondContact O-N 3.27Š|
| 195 | G | 37.6 | Very low | 52.2 | Low | 75 Ų | 75 | 110.5 Ų | 110.5 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | trans | 142.8 | 40.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P193 | P193-G195 PolarHBondContact O-N 3.13Š| ||
| 196 | G | 32.7 | Very low | 49.5 | Very low | 66 Ų | 66 | 120.1 Ų | 120.1 | 68% | 0.68 | 67% | 0.673 | S | S | * | * | trans | -116.6 | 38.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y198 | G196-Y198 PolarHBondContact O-N 3.43Š| ||
| 197 | A | 38.9 | Very low | 46.9 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | trans | -72.1 | 76.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | N199 | A197-N199 VanDerWaalsContact C-N 3.29Å; A197-N199 PolarHBondContact O-N 3.25Å | ||
| 198 | Y | 33.5 | Very low | 44.5 | Very low | 229 Ų | 229 | 124.9 Ų | 124.9 | 90% | 0.898 | 72% | 0.718 | S | S | * | * | trans | -65.9 | 97.8 | 164.1 | -103.6 | -89.9 | 0 | 0 | 0 | 107.2 | G196 N200 | G196-Y198 PolarHBondContact O-N 3.43Å; Y198-N200 PolarHBondContact O-N 2.94Å | ||
| 199 | N | 36.3 | Very low | 42.3 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -57.5 | 101.3 | 170.7 | -89.6 | -25.2 | 0 | 0 | 0 | 109.1 | A197 S201 | A197-N199 VanDerWaalsContact C-N 3.29Å; A197-N199 PolarHBondContact O-N 3.25Å; N199-S201 PolarHBondContact O-N 3.24Å | ||
| 200 | N | 34.4 | Very low | 40.5 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -72.4 | 78.7 | 167.2 | -125.9 | 6.1 | 0 | 0 | 0 | 107.9 | Y198 | Y198-N200 PolarHBondContact O-N 2.94Š| ||
| 201 | S | 40.3 | Very low | 39.2 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -92.1 | 107.4 | 170.4 | 52.8 | 0 | 0 | 0 | 0 | 109 | N199 L203 | N199-S201 PolarHBondContact O-N 3.24Å; S201-L203 PolarHBondContact O-N 3.4Å | ||
| 202 | N | 34.2 | Very low | 38 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -46.6 | 119.5 | 171.2 | -67.5 | -43.7 | 0 | 0 | 0 | 111.9 | ||||
| 203 | L | 37.8 | Very low | 38.3 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | trans | -117.9 | 77.3 | 154 | -87.5 | 150.5 | 0 | 0 | 0 | 107.8 | S201 N205 | S201-L203 PolarHBondContact O-N 3.4Å; L203-N205 PolarHBondContact O-N 3.09Å | ||
| 204 | T | 36.5 | Very low | 37.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | trans | -67.3 | 112 | 155.1 | 39.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 205 | N | 35.9 | Very low | 37.6 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 67% | 0.668 | 83% | 0.825 | S | S | * | * | trans | -161.5 | 113.7 | 149.4 | -112.9 | -15.3 | 0 | 0 | 0 | 112.3 | L203 | L203-N205 PolarHBondContact O-N 3.09Š| ||
| 206 | R | 35.9 | Very low | 37.6 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 77% | 0.774 | 83% | 0.827 | S | S | * | * | 66.3 | 94.7 | 129.6 | -69.2 | 174.7 | -167.7 | -155.4 | -2 | 116.6 | |||||
| 207 | T | 36.3 | Very low | 37.9 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 84% | 0.836 | S | S | * | * | 79.1 | 129.6 | 89.4 | 54.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 208 | S | 40.4 | Very low | 37.9 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | trans | 70.7 | 103.9 | 148.1 | 46.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 209 | G | 41.4 | Very low | 38.1 | Very low | 80 Ų | 80 | 134.2 Ų | 134.2 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -164.7 | 75 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 210 | A | 41.2 | Very low | 38.3 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 93% | 0.926 | 84% | 0.841 | S | S | * | * | trans | -64.5 | 138.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 211 | G | 39.3 | Very low | 38.6 | Very low | 75 Ų | 75 | 131.2 Ų | 131.2 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -172.2 | 98.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 212 | C | 30.6 | Very low | 38.4 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 87% | 0.872 | 85% | 0.85 | S | S | * | * | trans | -56.4 | 142.8 | 173.9 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 213 | C | 51.9 | Low | 38.8 | Very low | 206 Ų | 206 | 132.9 Ų | 132.9 | 100% | 1.392 | 86% | 0.858 | S | S | * | * | -156 | 0 | 118.3 | -83.9 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 213 of 213 residues in 43.8 ms
(Link to these results)