| 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 | 36.3 | Very low | 68.2 | Low | 238 Ų | 238 | 119.4 Ų | 119.4 | 100% | 1.172 | 63% | 0.631 | S | S | * | * | 0 | 115.6 | 0 | -71.9 | 170.5 | -174.2 | 0 | 0 | 106 | D3 | M1-D3 PolarHBondContact O-N 3.25Š| |||
| 2 | A | 47.2 | Very low | 70.7 | Confident | 81 Ų | 81 | 113.9 Ų | 113.9 | 67% | 0.669 | 60% | 0.598 | S | S | * | * | trans | -74.4 | 118.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | F4 | A2-F4 VanDerWaalsContact C-N 3.33Å; A2-F4 HydrophobicContact CB-CD2 4.45Å; A2-F4 HydrophobicContact CB-CE2 4.41Å; A2-F4 WeakPolarHBondContact O-CD2 3Å; A2-F4 PolarHBondContact O-N 3.41Å | ||
| 3 | D | 47.4 | Very low | 72.8 | Confident | 153 Ų | 153 | 105.2 Ų | 105.2 | 82% | 0.818 | 55% | 0.552 | S | S | * | * | trans | -61.9 | 96.3 | 173.1 | -82.1 | -38.3 | 0 | 0 | 0 | 109.1 | M1 N5 | M1-D3 PolarHBondContact O-N 3.25Å; D3-N5 PolarHBondContact O-N 3.37Å; D3-N5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | F | 53.2 | Low | 74.6 | Confident | 194 Ų | 194 | 97.6 Ų | 97.6 | 85% | 0.851 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | 5.1 | 178.7 | -97.5 | -84.9 | 0 | 0 | 0 | 113.6 | A2 | A2-F4 VanDerWaalsContact C-N 3.33Å; A2-F4 HydrophobicContact CB-CD2 4.45Å; A2-F4 HydrophobicContact CB-CE2 4.41Å; A2-F4 WeakPolarHBondContact O-CD2 3Å; A2-F4 PolarHBondContact O-N 3.41Å |
| 5 | N | 55.7 | Low | 76.2 | Confident | 155 Ų | 155 | 91.1 Ų | 91.1 | 83% | 0.829 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 1.3 | -172.1 | -91.9 | -7.7 | 0 | 0 | 0 | 115.4 | D3 P7 | D3-N5 PolarHBondContact O-N 3.37Å; D3-N5 VanDerWaalsContact O-N 3.09Å; N5-P7 VanDerWaalsContact O-CD 3.22Å; N5-P7 WeakPolarHBondContact O-CD 3.48Å |
| 6 | N | 60 | Low | 77.6 | Confident | 152 Ų | 152 | 85.4 Ų | 85.4 | 81% | 0.813 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -89 | 108.7 | 173.8 | -121.9 | -11.4 | 0 | 0 | 0 | 110.3 | L8 | N6-L8 PolarHBondContact O-N 2.87Š|
| 7 | P | 77.6 | Confident | 78.8 | Confident | 111 Ų | 111 | 80.4 Ų | 80.4 | 72% | 0.721 | 42% | 0.422 | S | S | * | . | trans | -62 | 126.9 | -178.1 | 24.1 | -31.8 | 0 | 0 | 0 | 109.8 | N5 Q9 | N5-P7 VanDerWaalsContact O-CD 3.22Å; N5-P7 WeakPolarHBondContact O-CD 3.48Å; P7-Q9 PolarHBondContact O-N 3.03Å | ||
| 8 | L | 88 | Confident | 79.8 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 29% | 0.293 | 41% | 0.41 | S | S | . | . | trans | -52.9 | 109 | 178.6 | 175.2 | 57.5 | 0 | 0 | 0 | 110.5 | N6 K10 T58 R60 | N6-L8 PolarHBondContact O-N 2.87Å; L8-K10 PolarHBondContact O-N 3.4Å; L8-T58 VanDerWaalsContact CD1-C 3.45Å; L8-T58 HydrophobicContact CD1-CG2 3.79Å; L8-T58 WeakPolarHBondContact CD1-O 3.4Å; L8-R60 HydrophobicContact CD2-CB 4.07Å; L8-R60 VanDerWaalsContact CD2-CZ 3.46Å; L8-R60 VanDerWaalsContact CD2-NH2 3.29Å; L8-R60 HydrophobicContact CG-CB 4.09Å | ||
| 9 | Q | 93.1 | Very high | 80.6 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 132.5 | -175.8 | -164.5 | 174.1 | 42 | 0 | 0 | 110.3 | P7 F11 R60 | P7-Q9 PolarHBondContact O-N 3.03Å; Q9-F11 HydrophobicContact CB-CE2 4.38Å; Q9-F11 HydrophobicContact CG-CD2 4.47Å; Q9-F11 HydrophobicContact CG-CE1 4.45Å; Q9-F11 HydrophobicContact CG-CE2 3.76Å; Q9-F11 HydrophobicContact CG-CZ 3.77Å; Q9-R60 PolarHBondContact O-N 3.38Å |
| 10 | K | 95.3 | Very high | 81.4 | Confident | 113 Ų | 113 | 77.8 Ų | 77.8 | 49% | 0.491 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.7 | -178 | -60.8 | 174.4 | -172.5 | 170.8 | 0 | 109.6 | L8 R60 | L8-K10 PolarHBondContact O-N 3.4Å; K10-R60 CarbonylContact C-O 3.59Å; K10-R60 VanDerWaalsContact CA-O 3.3Å; K10-R60 WeakPolarHBondContact CA-O 3.45Å; K10-R60 HydrophobicContact CG-CB 4.3Å |
| 11 | F | 96.8 | Very high | 82.2 | Confident | 1 Ų | 1 | 74 Ų | 74 | 0% | 0.004 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130 | 175 | -64.8 | -75.5 | 0 | 0 | 0 | 110.4 | Q9 L13 I59 R60 L61 Q62 L171 V172 K175 | Q9-F11 HydrophobicContact CB-CE2 4.38Å; Q9-F11 HydrophobicContact CG-CD2 4.47Å; Q9-F11 HydrophobicContact CG-CE1 4.45Å; Q9-F11 HydrophobicContact CG-CE2 3.76Å; Q9-F11 HydrophobicContact CG-CZ 3.77Å; F11-L13 HydrophobicContact CB-CD1 4.24Å; F11-I59 HydrophobicContact CD2-CB 4.3Å; F11-I59 HydrophobicContact CD2-CD1 4.04Å; F11-I59 HydrophobicContact CE2-CB 4.32Å; F11-I59 HydrophobicContact CE2-CD1 4.3Å; F11-I59 HydrophobicContact CE2-CG2 4.07Å; F11-R60 PolarHBondContact N-O 2.96Å; F11-L61 HydrophobicContact CB-CD2 3.96Å; F11-L61 HydrophobicContact CD2-CD2 4.47Å; F11-L61 WeakPolarHBondContact O-CA 3.44Å; F11-Q62 PolarHBondContact O-N 3.1Å; F11-L171 HydrophobicContact CB-CD1 3.76Å; F11-L171 HydrophobicContact CD1-CB 3.92Å; F11-L171 HydrophobicContact CD1-CD1 4.05Å; F11-L171 HydrophobicContact CD1-CD2 3.73Å; F11-L171 HydrophobicContact CD1-CG 4.15Å; F11-L171 HydrophobicContact CD2-CB 4.4Å; F11-L171 HydrophobicContact CD2-CD1 4.42Å; F11-L171 HydrophobicContact CE1-CB 3.75Å; F11-L171 HydrophobicContact CE1-CD2 4.08Å; F11-L171 HydrophobicContact CE1-CG 4.42Å; F11-L171 HydrophobicContact CE2-CB 4.28Å; F11-L171 HydrophobicContact CG-CB 4.21Å; F11-L171 HydrophobicContact CG-CD1 3.85Å; F11-L171 HydrophobicContact CG-CD2 4.37Å; F11-L171 HydrophobicContact CG-CG 4.41Å; F11-L171 HydrophobicContact CZ-CB 3.94Å; F11-L171 WeakPolarHBondContact CZ-O 3.42Å; F11-V172 HydrophobicContact CE2-CG2 3.96Å; F11-V172 HydrophobicContact CZ-CG2 4.21Å; F11-K175 HydrophobicContact CE1-CD 3.68Å; F11-K175 HydrophobicContact CE1-CG 4.38Å; F11-K175 HydrophobicContact CZ-CD 4.12Å |
| 12 | K | 97.4 | Very high | 85.1 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 24% | 0.235 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.1 | 177.9 | -72.4 | 174.8 | 174.7 | -179.5 | 0 | 109.2 | Q62 D82 S84 A85 | K12-Q62 CarbonylContact C-O 3.58Å; K12-Q62 WeakPolarHBondContact CA-O 3.31Å; K12-Q62 HydrophobicContact CG-CB 4.05Å; K12-D82 HydrophobicContact CD-CB 4.04Å; K12-D82 WeakPolarHBondContact CD-O 3.47Å; K12-D82 IonicContact NZ-OD2 2.72Å; K12-D82 PolarHBondContact NZ-OD2 3.41Å; K12-S84 PolarHBondContact O-N 2.91Å; K12-A85 PolarHBondContact O-N 2.96Å |
| 13 | L | 98.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.8 | 174.9 | -83.1 | 61.2 | 0 | 0 | 0 | 108 | F11 F15 L61 Q62 L63 W64 A85 F164 I167 L171 | F11-L13 HydrophobicContact CB-CD1 4.24Å; L13-F15 HydrophobicContact CB-CE2 4.11Å; L13-L61 HydrophobicContact CD1-CD2 3.99Å; L13-L61 HydrophobicContact CD2-CD1 4.1Å; L13-Q62 PolarHBondContact N-O 2.96Å; L13-L63 HydrophobicContact CB-CD2 4.03Å; L13-L63 HydrophobicContact CD2-CD2 3.94Å; L13-W64 PolarHBondContact O-N 2.67Å; L13-A85 WeakPolarHBondContact CA-O 3.41Å; L13-A85 HydrophobicContact CD1-CB 4.36Å; L13-A85 HydrophobicContact CG-CB 4.16Å; L13-F164 HydrophobicContact CD2-CD1 4.24Å; L13-F164 HydrophobicContact CD2-CE1 4.32Å; L13-I167 HydrophobicContact CD1-CG2 4.28Å; L13-I167 HydrophobicContact CD2-CD1 4.11Å; L13-I167 HydrophobicContact CD2-CG2 3.89Å; L13-I167 HydrophobicContact CG-CG2 4.12Å; L13-L171 HydrophobicContact CD1-CD1 3.91Å |
| 14 | V | 98.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132 | 171.5 | 63.9 | 0 | 0 | 0 | 0 | 110.2 | L16 W64 T66 I80 S83 A85 A86 V87 | V14-L16 HydrophobicContact CG1-CD1 4.24Å; V14-L16 HydrophobicContact CG1-CG 4.29Å; V14-L16 HydrophobicContact CG2-CD2 3.8Å; V14-L16 HydrophobicContact CG2-CG 4.11Å; V14-W64 HydrophobicContact CB-CB 4.46Å; V14-W64 HydrophobicContact CG2-CB 4.39Å; V14-T66 HydrophobicContact CG2-CG2 3.67Å; V14-I80 HydrophobicContact CG1-CG1 4.32Å; V14-S83 WeakPolarHBondContact CB-OG 3.46Å; V14-S83 WeakPolarHBondContact CG1-OG 3.38Å; V14-A85 PolarHBondContact N-O 2.87Å; V14-A86 HydrophobicContact CG1-CB 3.97Å; V14-A86 WeakPolarHBondContact O-CA 3.45Å; V14-V87 PolarHBondContact O-N 3.06Å |
| 15 | F | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.8 | 176.4 | -75.3 | -107.5 | 0 | 0 | 0 | 109 | L13 K23 I27 L63 W64 T66 V87 V89 F164 | L13-F15 HydrophobicContact CB-CE2 4.11Å; F15-K23 HydrophobicContact CB-CB 4.15Å; F15-K23 HydrophobicContact CB-CD 4.24Å; F15-K23 HydrophobicContact CB-CG 4.42Å; F15-I27 HydrophobicContact CB-CD1 4.14Å; F15-I27 HydrophobicContact CD1-CD1 4.11Å; F15-I27 HydrophobicContact CD1-CG1 3.99Å; F15-I27 HydrophobicContact CD2-CD1 3.65Å; F15-I27 HydrophobicContact CD2-CG1 3.96Å; F15-I27 HydrophobicContact CE1-CG1 3.93Å; F15-I27 HydrophobicContact CE2-CD1 4.11Å; F15-I27 HydrophobicContact CE2-CG1 3.94Å; F15-I27 HydrophobicContact CG-CD1 3.69Å; F15-I27 HydrophobicContact CG-CG1 4.02Å; F15-I27 HydrophobicContact CZ-CG1 3.94Å; F15-L63 HydrophobicContact CE2-CB 4.45Å; F15-L63 HydrophobicContact CE2-CD2 4.21Å; F15-W64 PolarHBondContact N-O 3.31Å; F15-T66 WeakPolarHBondContact O-CB 3.46Å; F15-T66 WeakPolarHBondContact O-CG2 3.44Å; F15-T66 PolarHBondContact O-OG1 3.4Å; F15-V87 WeakPolarHBondContact CA-O 3.4Å; F15-V87 HydrophobicContact CD1-CB 3.85Å; F15-V87 HydrophobicContact CD1-CG1 3.88Å; F15-V87 HydrophobicContact CD1-CG2 4.41Å; F15-V87 HydrophobicContact CE1-CB 3.87Å; F15-V87 HydrophobicContact CE1-CG1 3.71Å; F15-V87 HydrophobicContact CE1-CG2 4.01Å; F15-V87 HydrophobicContact CE2-CG2 4.16Å; F15-V87 HydrophobicContact CG-CB 4.19Å; F15-V87 HydrophobicContact CZ-CB 4.19Å; F15-V87 HydrophobicContact CZ-CG1 4.38Å; F15-V87 HydrophobicContact CZ-CG2 3.84Å; F15-V89 HydrophobicContact CD1-CG2 4.47Å; F15-F164 HydrophobicContact CE1-CZ 4.02Å; F15-F164 HydrophobicContact CE2-CE1 4.22Å; F15-F164 HydrophobicContact CE2-CZ 4.36Å; F15-F164 AromaticContact CZ-CE1 3.56Å; F15-F164 HydrophobicContact CZ-CE1 3.56Å; F15-F164 HydrophobicContact CZ-CE2 4.45Å; F15-F164 AromaticContact CZ-CZ 3.41Å; F15-F164 HydrophobicContact CZ-CZ 3.41Å; F15-F164 VanDerWaalsContact CZ-CZ 3.41Å |
| 16 | L | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 162 | -174.5 | -59.8 | 174.2 | 0 | 0 | 0 | 110.6 | V14 K23 T66 I76 I80 A86 V87 V88 V89 W104 V108 | V14-L16 HydrophobicContact CG1-CD1 4.24Å; V14-L16 HydrophobicContact CG1-CG 4.29Å; V14-L16 HydrophobicContact CG2-CD2 3.8Å; V14-L16 HydrophobicContact CG2-CG 4.11Å; L16-K23 VanDerWaalsContact C-CD 3.45Å; L16-K23 WeakPolarHBondContact O-CD 3.48Å; L16-T66 HydrophobicContact CD2-CG2 4.08Å; L16-I76 HydrophobicContact CD2-CG2 3.46Å; L16-I76 VanDerWaalsContact CD2-CG2 3.46Å; L16-I80 HydrophobicContact CD1-CD1 3.8Å; L16-I80 HydrophobicContact CD1-CG1 4.06Å; L16-I80 HydrophobicContact CD2-CD1 4.33Å; L16-I80 HydrophobicContact CD2-CG1 4.4Å; L16-A86 HydrophobicContact CD1-CB 4.43Å; L16-V87 PolarHBondContact N-O 3.33Å; L16-V88 HydrophobicContact CB-CG2 4.4Å; L16-V89 PolarHBondContact O-N 3.02Å; L16-W104 HydrophobicContact CB-CD2 4.28Å; L16-W104 HydrophobicContact CB-CE3 3.99Å; L16-W104 HydrophobicContact CD1-CE3 4.46Å; L16-W104 HydrophobicContact CD2-CE3 4.21Å; L16-W104 HydrophobicContact CD2-CZ3 4.07Å; L16-W104 HydrophobicContact CG-CE3 4.46Å; L16-V108 HydrophobicContact CD1-CG2 3.29Å |
| 17 | G | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | 133.6 | 167.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | K23 W104 | G17-K23 PolarHBondContact O-NZ 3.04Å; G17-W104 WeakPolarHBondContact O-CZ2 3.32Å | ||
| 18 | E | 97.4 | Very high | 96.8 | Very high | 43 Ų | 43 | 28.9 Ų | 28.9 | 20% | 0.201 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -62 | 168.3 | -178.8 | -64.4 | -60 | 114 | 0 | 0 | 112.7 | V21 K23 R73 Q100 W104 | E18-V21 HydrophobicContact CB-CG1 4.03Å; E18-V21 VanDerWaalsContact O-CG2 3.27Å; E18-V21 WeakPolarHBondContact O-CG2 3.37Å; E18-K23 PolarHBondContact O-NZ 3.2Å; E18-R73 IonicContact OE1-NH1 3.73Å; E18-R73 PolarHBondContact OE1-NH1 2.94Å; E18-Q100 HydrophobicContact CG-CB 3.76Å; E18-Q100 HydrophobicContact CG-CG 4.05Å; E18-W104 PolarHBondContact OE1-NE1 2.87Å |
| 19 | Q | 95.5 | Very high | 97.3 | Very high | 97 Ų | 97 | 28.8 Ų | 28.8 | 45% | 0.453 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 153.7 | 172.3 | 66.4 | 176.2 | 2.5 | 0 | 0 | 111.3 | V21 G68 | Q19-V21 PolarHBondContact O-N 3.03Å; Q19-G68 PolarHBondContact N-O 3.01Å |
| 20 | S | 95.5 | Very high | 97.5 | Very high | 48 Ų | 48 | 26.8 Ų | 26.8 | 34% | 0.336 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 5.9 | 176.5 | 79 | 0 | 0 | 0 | 0 | 117.9 | G22 K124 | S20-G22 PolarHBondContact O-N 2.82Å; S20-K124 VanDerWaalsContact O-CE 3.22Å; S20-K124 WeakPolarHBondContact O-CE 3.2Å; S20-K124 PolarHBondContact O-NZ 2.78Å |
| 21 | V | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -69.2 | -18.2 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 114 | E18 Q19 K23 V89 D91 N123 | E18-V21 HydrophobicContact CB-CG1 4.03Å; E18-V21 VanDerWaalsContact O-CG2 3.27Å; E18-V21 WeakPolarHBondContact O-CG2 3.37Å; Q19-V21 PolarHBondContact O-N 3.03Å; V21-K23 HydrophobicContact CG2-CD 4.46Å; V21-K23 HydrophobicContact CG2-CG 3.78Å; V21-V89 HydrophobicContact CB-CG1 4.22Å; V21-V89 HydrophobicContact CG2-CB 3.85Å; V21-V89 HydrophobicContact CG2-CG1 3.85Å; V21-V89 WeakPolarHBondContact CG2-O 3.25Å; V21-D91 HydrophobicContact CB-CB 4.36Å; V21-D91 HydrophobicContact CG1-CB 4.31Å; V21-N123 PolarHBondContact O-ND2 2.92Å |
| 22 | G | 97.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 28.7 Ų | 28.7 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 102.8 | 27 | 174 | 0 | 0 | 0 | 0 | 0 | 116 | S20 S25 L26 | S20-G22 PolarHBondContact O-N 2.82Å; G22-S25 PolarHBondContact O-N 2.84Å; G22-L26 WeakPolarHBondContact O-CG 3.46Å; G22-L26 PolarHBondContact O-N 3.08Å |
| 23 | K | 97.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -53.6 | -58.4 | 173.9 | -59.8 | -173.8 | -63.7 | -81 | 0 | 112.2 | F15 L16 G17 E18 V21 S25 L26 I27 D65 T66 V89 | F15-K23 HydrophobicContact CB-CB 4.15Å; F15-K23 HydrophobicContact CB-CD 4.24Å; F15-K23 HydrophobicContact CB-CG 4.42Å; L16-K23 VanDerWaalsContact C-CD 3.45Å; L16-K23 WeakPolarHBondContact O-CD 3.48Å; G17-K23 PolarHBondContact O-NZ 3.04Å; E18-K23 PolarHBondContact O-NZ 3.2Å; V21-K23 HydrophobicContact CG2-CD 4.46Å; V21-K23 HydrophobicContact CG2-CG 3.78Å; K23-S25 VanDerWaalsContact C-N 3.3Å; K23-S25 PolarHBondContact O-N 3.37Å; K23-L26 WeakPolarHBondContact O-CB 3.22Å; K23-L26 PolarHBondContact O-N 3.13Å; K23-L26 VanDerWaalsContact O-N 3.14Å; K23-I27 WeakPolarHBondContact O-CG1 3.48Å; K23-I27 PolarHBondContact O-N 3.25Å; K23-D65 WeakPolarHBondContact CB-OD1 3.37Å; K23-T66 WeakPolarHBondContact CE-O 3.39Å; K23-V89 HydrophobicContact CG-CB 4.14Å; K23-V89 HydrophobicContact CG-CG2 4.08Å |
| 24 | T | 97.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 35 Ų | 35 | 29% | 0.288 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.5 | -46.9 | 174.6 | -43.3 | 0 | 0 | 0 | 0 | 111.1 | L26 I27 T28 T42 D65 | T24-L26 VanDerWaalsContact C-N 3.33Å; T24-L26 PolarHBondContact O-N 3.39Å; T24-I27 CarbonylContact O-C 3.48Å; T24-I27 PolarHBondContact O-N 3.08Å; T24-I27 VanDerWaalsContact O-N 3.14Å; T24-T28 WeakPolarHBondContact O-CB 3.36Å; T24-T28 PolarHBondContact O-N 2.86Å; T24-T28 PolarHBondContact O-OG1 3.29Å; T24-T42 PolarHBondContact OG1-OG1 2.9Å; T24-D65 WeakPolarHBondContact CA-OD2 3.5Å; T24-D65 VanDerWaalsContact CB-OD2 3.23Å; T24-D65 WeakPolarHBondContact CB-OD2 3.42Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.16Å; T24-D65 PolarHBondContact OG1-OD2 3.49Å |
| 25 | S | 98 | Very high | 97.1 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 179.8 | -49 | 0 | 0 | 0 | 0 | 113.3 | G22 K23 R29 | G22-S25 PolarHBondContact O-N 2.84Å; K23-S25 VanDerWaalsContact C-N 3.3Å; K23-S25 PolarHBondContact O-N 3.37Å; S25-R29 WeakPolarHBondContact O-CB 3.47Å; S25-R29 PolarHBondContact O-N 2.87Å |
| 26 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 174.4 | -76 | 169.9 | 0 | 0 | 0 | 111.1 | G22 K23 T24 R29 F30 V89 V121 N123 T152 A154 V160 | G22-L26 WeakPolarHBondContact O-CG 3.46Å; G22-L26 PolarHBondContact O-N 3.08Å; K23-L26 WeakPolarHBondContact O-CB 3.22Å; K23-L26 PolarHBondContact O-N 3.13Å; K23-L26 VanDerWaalsContact O-N 3.14Å; T24-L26 VanDerWaalsContact C-N 3.33Å; T24-L26 PolarHBondContact O-N 3.39Å; L26-R29 PolarHBondContact O-N 2.89Å; L26-F30 WeakPolarHBondContact O-CB 3.5Å; L26-F30 PolarHBondContact O-N 2.68Å; L26-V89 HydrophobicContact CD1-CG1 3.95Å; L26-V89 HydrophobicContact CD1-CG2 4.04Å; L26-V121 HydrophobicContact CD1-CG1 4.16Å; L26-N123 HydrophobicContact CD1-CB 4.43Å; L26-T152 HydrophobicContact CD2-CG2 4.44Å; L26-T152 WeakPolarHBondContact CD2-OG1 3.36Å; L26-A154 HydrophobicContact CD2-CB 3.91Å; L26-A154 HydrophobicContact CG-CB 4.14Å; L26-V160 HydrophobicContact CD2-CG2 3.82Å |
| 27 | I | 98 | Very high | 96.3 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -53.1 | 176.5 | -65.4 | 168.3 | 0 | 0 | 0 | 109.9 | F15 K23 T24 R29 F30 M31 L48 L63 D65 | F15-I27 HydrophobicContact CB-CD1 4.14Å; F15-I27 HydrophobicContact CD1-CD1 4.11Å; F15-I27 HydrophobicContact CD1-CG1 3.99Å; F15-I27 HydrophobicContact CD2-CD1 3.65Å; F15-I27 HydrophobicContact CD2-CG1 3.96Å; F15-I27 HydrophobicContact CE1-CG1 3.93Å; F15-I27 HydrophobicContact CE2-CD1 4.11Å; F15-I27 HydrophobicContact CE2-CG1 3.94Å; F15-I27 HydrophobicContact CG-CD1 3.69Å; F15-I27 HydrophobicContact CG-CG1 4.02Å; F15-I27 HydrophobicContact CZ-CG1 3.94Å; K23-I27 WeakPolarHBondContact O-CG1 3.48Å; K23-I27 PolarHBondContact O-N 3.25Å; T24-I27 CarbonylContact O-C 3.48Å; T24-I27 PolarHBondContact O-N 3.08Å; T24-I27 VanDerWaalsContact O-N 3.14Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 PolarHBondContact O-N 2.62Å; I27-F30 PolarHBondContact O-N 3.39Å; I27-F30 VanDerWaalsContact O-N 3.1Å; I27-M31 HydrophobicContact CG2-CG 3.89Å; I27-M31 VanDerWaalsContact O-CB 3.31Å; I27-M31 WeakPolarHBondContact O-CB 3.48Å; I27-M31 WeakPolarHBondContact O-CG 3.32Å; I27-M31 PolarHBondContact O-N 3.41Å; I27-L48 HydrophobicContact CG2-CD1 3.67Å; I27-L63 HydrophobicContact CG2-CB 4.45Å; I27-L63 HydrophobicContact CG2-CD1 3.92Å; I27-D65 HydrophobicContact CD1-CB 3.47Å; I27-D65 VanDerWaalsContact CD1-CB 3.47Å |
| 28 | T | 97 | Very high | 95.8 | Very high | 34 Ų | 34 | 54 Ų | 54 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.3 | -45.6 | 177.5 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | T24 F30 M31 Y32 | T24-T28 WeakPolarHBondContact O-CB 3.36Å; T24-T28 PolarHBondContact O-N 2.86Å; T24-T28 PolarHBondContact O-OG1 3.29Å; T28-F30 VanDerWaalsContact C-N 3.34Å; T28-F30 PolarHBondContact O-N 2.9Å; T28-M31 PolarHBondContact O-N 3.23Å; T28-Y32 HydrophobicContact CG2-CD2 3.94Å; T28-Y32 PolarHBondContact O-N 3.09Å |
| 29 | R | 97.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 20% | 0.2 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.8 | 176.1 | 58.6 | 74.5 | -174.3 | 7.8 | 112 | S25 L26 I27 E33 T34 A154 K155 V160 | S25-R29 WeakPolarHBondContact O-CB 3.47Å; S25-R29 PolarHBondContact O-N 2.87Å; L26-R29 PolarHBondContact O-N 2.89Å; I27-R29 VanDerWaalsContact C-N 3.31Å; I27-R29 PolarHBondContact O-N 2.62Å; R29-E33 PolarHBondContact NH1-O 3.36Å; R29-E33 VanDerWaalsContact O-CA 3.23Å; R29-E33 WeakPolarHBondContact O-CA 3.14Å; R29-E33 PolarHBondContact O-N 3.18Å; R29-T34 VanDerWaalsContact CA-O 3.29Å; R29-T34 WeakPolarHBondContact CA-O 3.21Å; R29-T34 PolarHBondContact NE-O 3.42Å; R29-A154 PolarHBondContact NE-O 2.87Å; R29-K155 PolarHBondContact NH2-O 3.08Å; R29-V160 HydrophobicContact CB-CG1 4.34Å; R29-V160 HydrophobicContact CG-CB 4.16Å; R29-V160 HydrophobicContact CG-CG1 4.01Å; R29-V160 HydrophobicContact CG-CG2 3.93Å |
| 30 | F | 98.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.7 | -40.1 | 177 | 172.7 | -110.9 | 0 | 0 | 0 | 112.8 | L26 I27 T28 K50 M52 L63 V160 F164 | L26-F30 WeakPolarHBondContact O-CB 3.5Å; L26-F30 PolarHBondContact O-N 2.68Å; I27-F30 PolarHBondContact O-N 3.39Å; I27-F30 VanDerWaalsContact O-N 3.1Å; T28-F30 VanDerWaalsContact C-N 3.34Å; T28-F30 PolarHBondContact O-N 2.9Å; F30-K50 HydrophobicContact CD1-CD 4.31Å; F30-K50 HydrophobicContact CE1-CB 4.21Å; F30-K50 HydrophobicContact CE1-CD 3.78Å; F30-K50 HydrophobicContact CE1-CG 4.29Å; F30-K50 HydrophobicContact CZ-CD 4Å; F30-K50 HydrophobicContact CZ-CG 4.45Å; F30-K50 PolarHBondContact O-NZ 3.27Å; F30-M52 HydrophobicContact CE2-SD 4.16Å; F30-M52 HydrophobicContact CZ-CG 3.86Å; F30-M52 HydrophobicContact CZ-SD 3.54Å; F30-M52 VanDerWaalsContact CZ-SD 3.54Å; F30-L63 HydrophobicContact CD1-CD1 3.91Å; F30-L63 HydrophobicContact CE1-CD1 4.16Å; F30-V160 HydrophobicContact CB-CG1 3.87Å; F30-F164 HydrophobicContact CB-CD2 3.68Å; F30-F164 HydrophobicContact CB-CE1 4.45Å; F30-F164 HydrophobicContact CB-CE2 3.29Å; F30-F164 HydrophobicContact CB-CG 4.43Å; F30-F164 HydrophobicContact CB-CZ 3.71Å; F30-F164 AromaticContact CD1-CD1 3.69Å; F30-F164 HydrophobicContact CD1-CD1 3.69Å; F30-F164 AromaticContact CD1-CD2 3.98Å; F30-F164 HydrophobicContact CD1-CD2 3.98Å; F30-F164 AromaticContact CD1-CE1 3.55Å; F30-F164 HydrophobicContact CD1-CE1 3.55Å; F30-F164 AromaticContact CD1-CE2 3.91Å; F30-F164 HydrophobicContact CD1-CE2 3.91Å; F30-F164 AromaticContact CD1-CG 3.88Å; F30-F164 HydrophobicContact CD1-CG 3.88Å; F30-F164 AromaticContact CD1-CZ 3.67Å; F30-F164 HydrophobicContact CD1-CZ 3.67Å; F30-F164 HydrophobicContact CD2-CB 3.86Å; F30-F164 HydrophobicContact CD2-CD1 4.23Å; F30-F164 AromaticContact CD2-CD2 3.42Å; F30-F164 HydrophobicContact CD2-CD2 3.42Å; F30-F164 VanDerWaalsContact CD2-CD2 3.42Å; F30-F164 AromaticContact CD2-CE2 3.98Å; F30-F164 HydrophobicContact CD2-CE2 3.98Å; F30-F164 AromaticContact CD2-CG 3.57Å; F30-F164 HydrophobicContact CD2-CG 3.57Å; F30-F164 HydrophobicContact CE1-CB 4.49Å; F30-F164 AromaticContact CE1-CD1 3.67Å; F30-F164 HydrophobicContact CE1-CD1 3.67Å; F30-F164 AromaticContact CE1-CE1 3.92Å; F30-F164 HydrophobicContact CE1-CE1 3.92Å; F30-F164 AromaticContact CE1-CG 3.98Å; F30-F164 HydrophobicContact CE1-CG 3.98Å; F30-F164 HydrophobicContact CE1-CZ 4.46Å; F30-F164 HydrophobicContact CE2-CB 3.57Å; F30-F164 HydrophobicContact CE2-CD1 4.23Å; F30-F164 HydrophobicContact CE2-CD2 4.04Å; F30-F164 AromaticContact CE2-CG 3.69Å; F30-F164 HydrophobicContact CE2-CG 3.69Å; F30-F164 HydrophobicContact CG-CB 4.45Å; F30-F164 AromaticContact CG-CD1 3.98Å; F30-F164 HydrophobicContact CG-CD1 3.98Å; F30-F164 AromaticContact CG-CD2 3.39Å; F30-F164 HydrophobicContact CG-CD2 3.39Å; F30-F164 AromaticContact CG-CE1 3.98Å; F30-F164 HydrophobicContact CG-CE1 3.98Å; F30-F164 AromaticContact CG-CE2 3.44Å; F30-F164 HydrophobicContact CG-CE2 3.44Å; F30-F164 VanDerWaalsContact CG-CE2 3.44Å; F30-F164 AromaticContact CG-CG 3.68Å; F30-F164 HydrophobicContact CG-CG 3.68Å; F30-F164 AromaticContact CG-CZ 3.72Å; F30-F164 HydrophobicContact CG-CZ 3.72Å; F30-F164 HydrophobicContact CZ-CB 3.93Å; F30-F164 AromaticContact CZ-CD1 3.96Å; F30-F164 HydrophobicContact CZ-CD1 3.96Å; F30-F164 AromaticContact CZ-CG 3.91Å; F30-F164 HydrophobicContact CZ-CG 3.91Å |
| 31 | M | 96.6 | Very high | 94.6 | Very high | 25 Ų | 25 | 60.7 Ų | 60.7 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.8 | -47.2 | -176.1 | -71.3 | -61.3 | -60.4 | 0 | 0 | 111.7 | I27 T28 L48 K50 L63 | I27-M31 HydrophobicContact CG2-CG 3.89Å; I27-M31 VanDerWaalsContact O-CB 3.31Å; I27-M31 WeakPolarHBondContact O-CB 3.48Å; I27-M31 WeakPolarHBondContact O-CG 3.32Å; I27-M31 PolarHBondContact O-N 3.41Å; T28-M31 PolarHBondContact O-N 3.23Å; M31-L48 HydrophobicContact CE-CB 4.12Å; M31-L48 HydrophobicContact CG-CB 4.44Å; M31-L48 HydrophobicContact CG-CD1 4.11Å; M31-L48 HydrophobicContact SD-CB 4.37Å; M31-K50 HydrophobicContact CE-CB 3.89Å; M31-K50 HydrophobicContact CE-CD 4.27Å; M31-K50 PolarHBondContact O-NZ 3.05Å; M31-K50 HydrophobicContact SD-CB 3.53Å; M31-K50 VanDerWaalsContact SD-CB 3.53Å; M31-K50 HydrophobicContact SD-CD 3.72Å; M31-K50 HydrophobicContact SD-CG 4.25Å; M31-L63 HydrophobicContact CG-CD1 4.1Å; M31-L63 HydrophobicContact SD-CD1 3.66Å |
| 32 | Y | 96 | Very high | 94 | Very high | 128 Ų | 128 | 62 Ų | 62 | 50% | 0.502 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -122.3 | -3 | -164.6 | -51 | -63 | 0 | 0 | 0 | 114.2 | T28 T34 L48 | T28-Y32 HydrophobicContact CG2-CD2 3.94Å; T28-Y32 PolarHBondContact O-N 3.09Å; Y32-T34 PolarHBondContact O-N 3.5Å; Y32-L48 HydrophobicContact CE2-CD1 4.26Å; Y32-L48 VanDerWaalsContact OH-CD2 3.29Å; Y32-L48 WeakPolarHBondContact OH-CD2 3.47Å |
| 33 | E | 95.6 | Very high | 93.4 | Very high | 114 Ų | 114 | 67.9 Ų | 67.9 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 55.2 | 30 | -173.4 | -58.6 | -165.9 | 161.1 | 0 | 0 | 113.5 | R29 K161 | R29-E33 PolarHBondContact NH1-O 3.36Å; R29-E33 VanDerWaalsContact O-CA 3.23Å; R29-E33 WeakPolarHBondContact O-CA 3.14Å; R29-E33 PolarHBondContact O-N 3.18Å; E33-K161 WeakPolarHBondContact OE1-CE 3.43Å; E33-K161 IonicContact OE1-NZ 3.41Å; E33-K161 PolarHBondContact OE1-NZ 2.8Å |
| 34 | T | 95.4 | Very high | 93.1 | Very high | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | trans | -121.2 | 166.8 | 177.2 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | R29 Y32 | R29-T34 VanDerWaalsContact CA-O 3.29Å; R29-T34 WeakPolarHBondContact CA-O 3.21Å; R29-T34 PolarHBondContact NE-O 3.42Å; Y32-T34 PolarHBondContact O-N 3.5Å | ||
| 35 | F | 94.7 | Very high | 92.8 | Very high | 60 Ų | 60 | 67.5 Ų | 67.5 | 26% | 0.263 | 34% | 0.34 | S | S | . | . | trans | -141.4 | 129.4 | 170.8 | 176.3 | -92.7 | 0 | 0 | 0 | 108.8 | N37 A154 K155 | F35-N37 WeakPolarHBondContact CE1-OD1 3.3Å; F35-A154 HydrophobicContact CD2-CB 4.25Å; F35-A154 HydrophobicContact CE2-CB 4.29Å; F35-K155 HydrophobicContact CD1-CB 4.3Å; F35-K155 HydrophobicContact CD1-CG 3.89Å; F35-K155 HydrophobicContact CD2-CB 4.14Å; F35-K155 HydrophobicContact CE1-CB 4.1Å; F35-K155 HydrophobicContact CE1-CD 4.25Å; F35-K155 HydrophobicContact CE1-CG 3.76Å; F35-K155 HydrophobicContact CE2-CB 3.93Å; F35-K155 HydrophobicContact CE2-CG 4.49Å; F35-K155 HydrophobicContact CG-CB 4.32Å; F35-K155 HydrophobicContact CG-CG 4.32Å; F35-K155 HydrophobicContact CZ-CB 3.91Å; F35-K155 HydrophobicContact CZ-CG 4.08Å | ||
| 36 | D | 90.9 | Very high | 92.6 | Very high | 91 Ų | 91 | 70 Ų | 70 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | trans | -90.6 | 128.9 | 172.3 | -165.5 | -13.5 | 0 | 0 | 0 | 109.7 | L38 | D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact OD1-N 2.9Å | ||
| 37 | N | 87.8 | Confident | 92.5 | Very high | 123 Ų | 123 | 73.9 Ų | 73.9 | 66% | 0.658 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -78.1 | -20.1 | 176.6 | -67.9 | -63.8 | 0 | 0 | 0 | 112.2 | F35 | F35-N37 WeakPolarHBondContact CE1-OD1 3.3Š|
| 38 | L | 88.4 | Confident | 92.4 | Very high | 127 Ų | 127 | 75.5 Ų | 75.5 | 67% | 0.665 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -84.7 | 115.6 | 177.6 | -62.7 | 176.2 | 0 | 0 | 0 | 109.2 | D36 Q40 | D36-L38 VanDerWaalsContact C-N 3.31Å; D36-L38 PolarHBondContact OD1-N 2.9Å; L38-Q40 PolarHBondContact O-N 3.49Å |
| 39 | Y | 86.3 | Confident | 92.4 | Very high | 137 Ų | 137 | 76.3 Ų | 76.3 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | trans | -70.8 | 121.9 | 173.1 | 174.5 | -109.5 | 0 | 0 | 0 | 110.1 | A41 | Y39-A41 HydrophobicContact CE1-CB 4.11Š| ||
| 40 | Q | 87.6 | Confident | 92.3 | Very high | 150 Ų | 150 | 76.7 Ų | 76.7 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | trans | -117.5 | 127 | 167.3 | -64.4 | -172.8 | -15.4 | 0 | 0 | 108.7 | L38 T42 | L38-Q40 PolarHBondContact O-N 3.49Å; Q40-T42 PolarHBondContact O-N 3.21Å | ||
| 41 | A | 89.5 | Confident | 92.2 | Very high | 41 Ų | 41 | 78.2 Ų | 78.2 | 34% | 0.339 | 40% | 0.398 | S | S | . | . | trans | -71.7 | 123 | 178 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y39 I43 | Y39-A41 HydrophobicContact CE1-CB 4.11Å; A41-I43 PolarHBondContact O-N 2.71Å | ||
| 42 | T | 84.5 | Confident | 92.1 | Very high | 27 Ų | 27 | 78 Ų | 78 | 17% | 0.166 | 40% | 0.397 | C | S | . | . | trans | -59.2 | 131.6 | 171.7 | -39.1 | 0 | 0 | 0 | 0 | 109.7 | T24 Q40 A67 | T24-T42 PolarHBondContact OG1-OG1 2.9Å; Q40-T42 PolarHBondContact O-N 3.21Å; T42-A67 WeakPolarHBondContact O-CB 3.48Å | ||
| 43 | I | 86.2 | Confident | 91.9 | Very high | 133 Ų | 133 | 80.3 Ų | 80.3 | 68% | 0.682 | 41% | 0.406 | S | S | * | . | trans | -105.6 | 123.6 | 176.3 | -64.3 | 177.4 | 0 | 0 | 0 | 107.5 | A41 I45 F72 | A41-I43 PolarHBondContact O-N 2.71Å; I43-I45 PolarHBondContact O-N 3.13Å; I43-F72 HydrophobicContact CB-CZ 4.39Å; I43-F72 HydrophobicContact CG2-CE1 4.16Å; I43-F72 HydrophobicContact CG2-CE2 4.42Å; I43-F72 HydrophobicContact CG2-CZ 3.74Å | ||
| 44 | G | 90.1 | Very high | 91.6 | Very high | 12 Ų | 12 | 76.2 Ų | 76.2 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 67.2 | -127.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A67 | G44-A67 WeakPolarHBondContact O-CB 3.42Å; G44-A67 PolarHBondContact O-N 3.12Å |
| 45 | I | 92 | Very high | 91.1 | Very high | 36 Ų | 36 | 82.8 Ų | 82.8 | 19% | 0.185 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.3 | -176.3 | -63.1 | 170.6 | 0 | 0 | 0 | 108.4 | I43 W64 D65 T66 L75 Y79 | I43-I45 PolarHBondContact O-N 3.13Å; I45-W64 HydrophobicContact CG2-CE3 3.84Å; I45-D65 CarbonylContact C-O 3.58Å; I45-D65 VanDerWaalsContact CA-O 3.25Å; I45-D65 WeakPolarHBondContact CA-O 3.31Å; I45-D65 WeakPolarHBondContact CG2-O 3.45Å; I45-T66 HydrophobicContact CG1-CG2 4.34Å; I45-L75 HydrophobicContact CD1-CB 3.74Å; I45-Y79 HydrophobicContact CD1-CD1 4.49Å; I45-Y79 HydrophobicContact CD1-CD2 3.26Å; I45-Y79 HydrophobicContact CD1-CE1 4.39Å; I45-Y79 HydrophobicContact CD1-CE2 3.13Å; I45-Y79 HydrophobicContact CD1-CG 3.96Å; I45-Y79 HydrophobicContact CG1-CE2 4.41Å; I45-Y79 HydrophobicContact CG2-CD1 4.16Å; I45-Y79 HydrophobicContact CG2-CE1 3.92Å |
| 46 | D | 94.2 | Very high | 90.5 | Very high | 87 Ų | 87 | 85.3 Ų | 85.3 | 47% | 0.465 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 156.2 | 177 | -164.9 | 14.5 | 0 | 0 | 0 | 111.3 | W64 D65 | D46-W64 WeakPolarHBondContact O-CA 3.33Å; D46-D65 HydrophobicContact CB-CB 4.28Å; D46-D65 PolarHBondContact N-O 3.03Å; D46-D65 PolarHBondContact O-N 2.89Å |
| 47 | F | 95.5 | Very high | 90.4 | Very high | 80 Ų | 80 | 84.2 Ų | 84.2 | 35% | 0.351 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.2 | -175.3 | 172.9 | -103.2 | 0 | 0 | 0 | 111.8 | Q62 L63 W64 | F47-Q62 HydrophobicContact CE2-CB 3.8Å; F47-Q62 HydrophobicContact CE2-CG 3.88Å; F47-Q62 HydrophobicContact CZ-CB 4.44Å; F47-Q62 HydrophobicContact CZ-CG 4.04Å; F47-L63 WeakPolarHBondContact CA-O 3.49Å; F47-W64 HydrophobicContact CB-CE3 3.94Å; F47-W64 HydrophobicContact CB-CH2 4.25Å; F47-W64 HydrophobicContact CB-CZ3 3.68Å; F47-W64 AromaticContact CD2-CD2 3.9Å; F47-W64 HydrophobicContact CD2-CD2 3.9Å; F47-W64 AromaticContact CD2-CE2 3.73Å; F47-W64 AromaticContact CD2-CE3 3.96Å; F47-W64 HydrophobicContact CD2-CE3 3.96Å; F47-W64 AromaticContact CD2-CH2 3.8Å; F47-W64 HydrophobicContact CD2-CH2 3.8Å; F47-W64 AromaticContact CD2-CZ2 3.71Å; F47-W64 HydrophobicContact CD2-CZ2 3.71Å; F47-W64 AromaticContact CD2-CZ3 3.9Å; F47-W64 HydrophobicContact CD2-CZ3 3.9Å; F47-W64 HydrophobicContact CE2-CH2 4.49Å; F47-W64 HydrophobicContact CE2-CZ2 4.07Å; F47-W64 HydrophobicContact CG-CE3 4.39Å; F47-W64 HydrophobicContact CG-CH2 4.17Å; F47-W64 HydrophobicContact CG-CZ3 4.08Å |
| 48 | L | 96.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 81.2 Ų | 81.2 | 20% | 0.199 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.9 | 172.3 | -69.5 | 173.1 | 0 | 0 | 0 | 110.3 | I27 M31 Y32 L63 | I27-L48 HydrophobicContact CG2-CD1 3.67Å; M31-L48 HydrophobicContact CE-CB 4.12Å; M31-L48 HydrophobicContact CG-CB 4.44Å; M31-L48 HydrophobicContact CG-CD1 4.11Å; M31-L48 HydrophobicContact SD-CB 4.37Å; Y32-L48 HydrophobicContact CE2-CD1 4.26Å; Y32-L48 VanDerWaalsContact OH-CD2 3.29Å; Y32-L48 WeakPolarHBondContact OH-CD2 3.47Å; L48-L63 HydrophobicContact CB-CB 4.49Å; L48-L63 PolarHBondContact N-O 3.05Å; L48-L63 PolarHBondContact O-N 3.39Å |
| 49 | S | 96.8 | Very high | 91 | Very high | 50 Ų | 50 | 75.1 Ų | 75.1 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.9 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | R60 L61 | S49-R60 WeakPolarHBondContact OG-CD 3.49Å; S49-R60 WeakPolarHBondContact OG-CG 3.43Å; S49-L61 CarbonylContact C-O 3.46Å; S49-L61 VanDerWaalsContact CA-O 3.27Å; S49-L61 WeakPolarHBondContact CA-O 3.5Å |
| 50 | K | 95.6 | Very high | 91.5 | Very high | 61 Ų | 61 | 72.3 Ų | 72.3 | 27% | 0.265 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.7 | 177.8 | -174 | 156.2 | -175.2 | 162.3 | 0 | 111.7 | F30 M31 L61 | F30-K50 HydrophobicContact CD1-CD 4.31Å; F30-K50 HydrophobicContact CE1-CB 4.21Å; F30-K50 HydrophobicContact CE1-CD 3.78Å; F30-K50 HydrophobicContact CE1-CG 4.29Å; F30-K50 HydrophobicContact CZ-CD 4Å; F30-K50 HydrophobicContact CZ-CG 4.45Å; F30-K50 PolarHBondContact O-NZ 3.27Å; M31-K50 HydrophobicContact CE-CB 3.89Å; M31-K50 HydrophobicContact CE-CD 4.27Å; M31-K50 PolarHBondContact O-NZ 3.05Å; M31-K50 HydrophobicContact SD-CB 3.53Å; M31-K50 VanDerWaalsContact SD-CB 3.53Å; M31-K50 HydrophobicContact SD-CD 3.72Å; M31-K50 HydrophobicContact SD-CG 4.25Å; K50-L61 PolarHBondContact N-O 2.87Å; K50-L61 PolarHBondContact O-N 3.23Å |
| 51 | T | 96.1 | Very high | 92 | Very high | 51 Ų | 51 | 65.1 Ų | 65.1 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 127.6 | 168.2 | -57.6 | 0 | 0 | 0 | 0 | 108.6 | Y53 T58 I59 | T51-Y53 HydrophobicContact CG2-CE1 4.39Å; T51-Y53 HydrophobicContact CG2-CE2 4.33Å; T51-T58 HydrophobicContact CG2-CG2 3.28Å; T51-I59 CarbonylContact C-O 3.44Å; T51-I59 WeakPolarHBondContact CA-O 3.23Å |
| 52 | M | 94.8 | Very high | 92.4 | Very high | 21 Ų | 21 | 65 Ų | 65 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138 | 172.9 | -78.8 | -173.8 | 64.8 | 0 | 0 | 109.9 | F30 L54 T58 I59 L61 F164 A168 | F30-M52 HydrophobicContact CE2-SD 4.16Å; F30-M52 HydrophobicContact CZ-CG 3.86Å; F30-M52 HydrophobicContact CZ-SD 3.54Å; F30-M52 VanDerWaalsContact CZ-SD 3.54Å; M52-L54 HydrophobicContact CE-CD2 4.42Å; M52-T58 WeakPolarHBondContact O-CA 3.32Å; M52-I59 HydrophobicContact CB-CG1 3.95Å; M52-I59 PolarHBondContact N-O 3.33Å; M52-I59 PolarHBondContact O-N 3.09Å; M52-L61 HydrophobicContact CG-CD1 4.32Å; M52-L61 HydrophobicContact CG-CG 4.4Å; M52-L61 HydrophobicContact SD-CD1 3.25Å; M52-L61 WeakPolarHBondContact SD-CD1 3.45Å; M52-L61 HydrophobicContact SD-CG 3.86Å; M52-F164 HydrophobicContact CE-CB 4.49Å; M52-F164 HydrophobicContact SD-CB 4.32Å; M52-A168 HydrophobicContact CE-CB 4.02Å; M52-A168 HydrophobicContact SD-CB 4.34Å |
| 53 | Y | 92.4 | Very high | 93 | Very high | 176 Ų | 176 | 63.8 Ų | 63.8 | 69% | 0.69 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 112.3 | 174.1 | -55.8 | -85.9 | 0 | 0 | 0 | 107.9 | T51 T58 | T51-Y53 HydrophobicContact CG2-CE1 4.39Å; T51-Y53 HydrophobicContact CG2-CE2 4.33Å; Y53-T58 HydrophobicContact CD1-CG2 3.87Å; Y53-T58 WeakPolarHBondContact CD1-OG1 3.38Å; Y53-T58 HydrophobicContact CE1-CG2 3.83Å |
| 54 | L | 89.3 | Confident | 93.6 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 14% | 0.141 | 29% | 0.289 | C | S | . | . | trans | -93.7 | 170.5 | 166.9 | -56.7 | 176.7 | 0 | 0 | 0 | 108.3 | M52 D56 R57 I59 A168 V172 | M52-L54 HydrophobicContact CE-CD2 4.42Å; L54-D56 VanDerWaalsContact C-N 3.3Å; L54-D56 PolarHBondContact O-N 3.3Å; L54-R57 CarbonylContact C-O 3.59Å; L54-R57 WeakPolarHBondContact CA-O 3.36Å; L54-R57 HydrophobicContact CB-CG 4.41Å; L54-R57 WeakPolarHBondContact CB-O 3.29Å; L54-R57 HydrophobicContact CD1-CG 4.35Å; L54-R57 PolarHBondContact N-O 2.87Å; L54-I59 HydrophobicContact CD1-CD1 4.08Å; L54-I59 HydrophobicContact CD1-CG1 4.43Å; L54-I59 HydrophobicContact CD1-CG2 4.34Å; L54-A168 HydrophobicContact CD1-CB 4.28Å; L54-A168 HydrophobicContact CD2-CB 4.06Å; L54-V172 HydrophobicContact CD1-CB 4.41Å; L54-V172 HydrophobicContact CD1-CG2 3.79Å | ||
| 55 | E | 83.8 | Confident | 93.9 | Very high | 211 Ų | 211 | 59.6 Ų | 59.6 | 99% | 0.986 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -60.3 | -38.9 | -172.6 | -65.5 | -179.5 | 178.6 | 0 | 0 | 113 | ||
| 56 | D | 82.8 | Confident | 94 | Very high | 112 Ų | 112 | 57.9 Ų | 57.9 | 60% | 0.599 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -107.5 | -13.7 | -174 | 67 | -23.7 | 0 | 0 | 0 | 113.7 | L54 | L54-D56 VanDerWaalsContact C-N 3.3Å; L54-D56 PolarHBondContact O-N 3.3Å |
| 57 | R | 88.7 | Confident | 93.8 | Very high | 69 Ų | 69 | 53.8 Ų | 53.8 | 26% | 0.26 | 25% | 0.254 | S | S | . | . | trans | -156.5 | 158.2 | -174.4 | 70.8 | -167.6 | 80.1 | -179.6 | 10.7 | 114 | L54 I59 V172 S176 | L54-R57 CarbonylContact C-O 3.59Å; L54-R57 WeakPolarHBondContact CA-O 3.36Å; L54-R57 HydrophobicContact CB-CG 4.41Å; L54-R57 WeakPolarHBondContact CB-O 3.29Å; L54-R57 HydrophobicContact CD1-CG 4.35Å; L54-R57 PolarHBondContact N-O 2.87Å; R57-I59 HydrophobicContact CG-CG2 4.06Å; R57-V172 VanDerWaalsContact NH1-CG1 3.32Å; R57-S176 PolarHBondContact NH1-OG 2.58Å; R57-S176 PolarHBondContact NH2-OG 2.89Å | ||
| 58 | T | 92.7 | Very high | 93 | Very high | 59 Ų | 59 | 50.3 Ų | 50.3 | 36% | 0.362 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.9 | 169.1 | -55.5 | 0 | 0 | 0 | 0 | 108.9 | L8 T51 M52 Y53 | L8-T58 VanDerWaalsContact CD1-C 3.45Å; L8-T58 HydrophobicContact CD1-CG2 3.79Å; L8-T58 WeakPolarHBondContact CD1-O 3.4Å; T51-T58 HydrophobicContact CG2-CG2 3.28Å; M52-T58 WeakPolarHBondContact O-CA 3.32Å; Y53-T58 HydrophobicContact CD1-CG2 3.87Å; Y53-T58 WeakPolarHBondContact CD1-OG1 3.38Å; Y53-T58 HydrophobicContact CE1-CG2 3.83Å |
| 59 | I | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 164.7 | 175.7 | 68.5 | 168.5 | 0 | 0 | 0 | 110.4 | F11 T51 M52 L54 R57 L61 A168 V172 | F11-I59 HydrophobicContact CD2-CB 4.3Å; F11-I59 HydrophobicContact CD2-CD1 4.04Å; F11-I59 HydrophobicContact CE2-CB 4.32Å; F11-I59 HydrophobicContact CE2-CD1 4.3Å; F11-I59 HydrophobicContact CE2-CG2 4.07Å; T51-I59 CarbonylContact C-O 3.44Å; T51-I59 WeakPolarHBondContact CA-O 3.23Å; M52-I59 HydrophobicContact CB-CG1 3.95Å; M52-I59 PolarHBondContact N-O 3.33Å; M52-I59 PolarHBondContact O-N 3.09Å; L54-I59 HydrophobicContact CD1-CD1 4.08Å; L54-I59 HydrophobicContact CD1-CG1 4.43Å; L54-I59 HydrophobicContact CD1-CG2 4.34Å; R57-I59 HydrophobicContact CG-CG2 4.06Å; I59-L61 HydrophobicContact CD1-CD2 3.7Å; I59-L61 HydrophobicContact CD1-CG 4.35Å; I59-L61 HydrophobicContact CG1-CD2 4.46Å; I59-A168 HydrophobicContact CD1-CB 3.61Å; I59-V172 HydrophobicContact CG2-CG2 3.92Å |
| 60 | R | 96.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 29% | 0.291 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 116.6 | 173.1 | 175.9 | 154.4 | 39.2 | -167.2 | -8.2 | 110.6 | L8 Q9 K10 F11 S49 | L8-R60 HydrophobicContact CD2-CB 4.07Å; L8-R60 VanDerWaalsContact CD2-CZ 3.46Å; L8-R60 VanDerWaalsContact CD2-NH2 3.29Å; L8-R60 HydrophobicContact CG-CB 4.09Å; Q9-R60 PolarHBondContact O-N 3.38Å; K10-R60 CarbonylContact C-O 3.59Å; K10-R60 VanDerWaalsContact CA-O 3.3Å; K10-R60 WeakPolarHBondContact CA-O 3.45Å; K10-R60 HydrophobicContact CG-CB 4.3Å; F11-R60 PolarHBondContact N-O 2.96Å; S49-R60 WeakPolarHBondContact OG-CD 3.49Å; S49-R60 WeakPolarHBondContact OG-CG 3.43Å |
| 61 | L | 97.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 130.5 | 172.7 | -60.6 | -167.1 | 0 | 0 | 0 | 109.9 | F11 L13 S49 K50 M52 I59 L63 F164 | F11-L61 HydrophobicContact CB-CD2 3.96Å; F11-L61 HydrophobicContact CD2-CD2 4.47Å; F11-L61 WeakPolarHBondContact O-CA 3.44Å; L13-L61 HydrophobicContact CD1-CD2 3.99Å; L13-L61 HydrophobicContact CD2-CD1 4.1Å; S49-L61 CarbonylContact C-O 3.46Å; S49-L61 VanDerWaalsContact CA-O 3.27Å; S49-L61 WeakPolarHBondContact CA-O 3.5Å; K50-L61 PolarHBondContact N-O 2.87Å; K50-L61 PolarHBondContact O-N 3.23Å; M52-L61 HydrophobicContact CG-CD1 4.32Å; M52-L61 HydrophobicContact CG-CG 4.4Å; M52-L61 HydrophobicContact SD-CD1 3.25Å; M52-L61 WeakPolarHBondContact SD-CD1 3.45Å; M52-L61 HydrophobicContact SD-CG 3.86Å; I59-L61 HydrophobicContact CD1-CD2 3.7Å; I59-L61 HydrophobicContact CD1-CG 4.35Å; I59-L61 HydrophobicContact CG1-CD2 4.46Å; L61-L63 HydrophobicContact CB-CD2 3.87Å; L61-L63 HydrophobicContact CD1-CD2 4.48Å; L61-F164 HydrophobicContact CD1-CD1 4.01Å |
| 62 | Q | 98 | Very high | 91.3 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 18% | 0.178 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 107.3 | 173.4 | -77.1 | -171.9 | -32.3 | 0 | 0 | 107.6 | F11 K12 L13 F47 | F11-Q62 PolarHBondContact O-N 3.1Å; K12-Q62 CarbonylContact C-O 3.58Å; K12-Q62 WeakPolarHBondContact CA-O 3.31Å; K12-Q62 HydrophobicContact CG-CB 4.05Å; L13-Q62 PolarHBondContact N-O 2.96Å; F47-Q62 HydrophobicContact CE2-CB 3.8Å; F47-Q62 HydrophobicContact CE2-CG 3.88Å; F47-Q62 HydrophobicContact CZ-CB 4.44Å; F47-Q62 HydrophobicContact CZ-CG 4.04Å |
| 63 | L | 98.2 | Very high | 91 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.2 | -172.9 | -47.1 | -177.4 | 0 | 0 | 0 | 109 | L13 F15 I27 F30 M31 F47 L48 L61 F164 | L13-L63 HydrophobicContact CB-CD2 4.03Å; L13-L63 HydrophobicContact CD2-CD2 3.94Å; F15-L63 HydrophobicContact CE2-CB 4.45Å; F15-L63 HydrophobicContact CE2-CD2 4.21Å; I27-L63 HydrophobicContact CG2-CB 4.45Å; I27-L63 HydrophobicContact CG2-CD1 3.92Å; F30-L63 HydrophobicContact CD1-CD1 3.91Å; F30-L63 HydrophobicContact CE1-CD1 4.16Å; M31-L63 HydrophobicContact CG-CD1 4.1Å; M31-L63 HydrophobicContact SD-CD1 3.66Å; F47-L63 WeakPolarHBondContact CA-O 3.49Å; L48-L63 HydrophobicContact CB-CB 4.49Å; L48-L63 PolarHBondContact N-O 3.05Å; L48-L63 PolarHBondContact O-N 3.39Å; L61-L63 HydrophobicContact CB-CD2 3.87Å; L61-L63 HydrophobicContact CD1-CD2 4.48Å; L63-F164 HydrophobicContact CD1-CE1 4.02Å; L63-F164 HydrophobicContact CD1-CZ 4.49Å; L63-F164 HydrophobicContact CD2-CD1 4.47Å; L63-F164 HydrophobicContact CD2-CE1 3.83Å |
| 64 | W | 97.5 | Very high | 91 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 20% | 0.197 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 103.3 | 175.3 | -65.2 | 100 | 0 | 0 | 0 | 109 | L13 V14 F15 I45 D46 F47 Y79 | L13-W64 PolarHBondContact O-N 2.67Å; V14-W64 HydrophobicContact CB-CB 4.46Å; V14-W64 HydrophobicContact CG2-CB 4.39Å; F15-W64 PolarHBondContact N-O 3.31Å; I45-W64 HydrophobicContact CG2-CE3 3.84Å; D46-W64 WeakPolarHBondContact O-CA 3.33Å; F47-W64 HydrophobicContact CB-CE3 3.94Å; F47-W64 HydrophobicContact CB-CH2 4.25Å; F47-W64 HydrophobicContact CB-CZ3 3.68Å; F47-W64 AromaticContact CD2-CD2 3.9Å; F47-W64 HydrophobicContact CD2-CD2 3.9Å; F47-W64 AromaticContact CD2-CE2 3.73Å; F47-W64 AromaticContact CD2-CE3 3.96Å; F47-W64 HydrophobicContact CD2-CE3 3.96Å; F47-W64 AromaticContact CD2-CH2 3.8Å; F47-W64 HydrophobicContact CD2-CH2 3.8Å; F47-W64 AromaticContact CD2-CZ2 3.71Å; F47-W64 HydrophobicContact CD2-CZ2 3.71Å; F47-W64 AromaticContact CD2-CZ3 3.9Å; F47-W64 HydrophobicContact CD2-CZ3 3.9Å; F47-W64 HydrophobicContact CE2-CH2 4.49Å; F47-W64 HydrophobicContact CE2-CZ2 4.07Å; F47-W64 HydrophobicContact CG-CE3 4.39Å; F47-W64 HydrophobicContact CG-CH2 4.17Å; F47-W64 HydrophobicContact CG-CZ3 4.08Å; W64-Y79 AromaticContact CD2-CD1 3.65Å; W64-Y79 HydrophobicContact CD2-CD1 3.65Å; W64-Y79 HydrophobicContact CD2-CE1 4.02Å; W64-Y79 AromaticContact CE3-CD1 3.53Å; W64-Y79 HydrophobicContact CE3-CD1 3.53Å; W64-Y79 AromaticContact CE3-CE1 3.43Å; W64-Y79 HydrophobicContact CE3-CE1 3.43Å; W64-Y79 VanDerWaalsContact CE3-CE1 3.43Å; W64-Y79 HydrophobicContact CG-CD1 4.13Å; W64-Y79 HydrophobicContact CH2-CD1 4.36Å; W64-Y79 AromaticContact CH2-CE1 3.9Å; W64-Y79 HydrophobicContact CH2-CE1 3.9Å; W64-Y79 HydrophobicContact CZ2-CD1 4.47Å; W64-Y79 HydrophobicContact CZ2-CE1 4.44Å; W64-Y79 AromaticContact CZ3-CD1 3.92Å; W64-Y79 HydrophobicContact CZ3-CD1 3.92Å; W64-Y79 AromaticContact CZ3-CE1 3.37Å; W64-Y79 HydrophobicContact CZ3-CE1 3.37Å |
| 65 | D | 96.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 124.1 | 174.3 | -169 | 22.8 | 0 | 0 | 0 | 109.4 | K23 T24 I27 I45 D46 | K23-D65 WeakPolarHBondContact CB-OD1 3.37Å; T24-D65 WeakPolarHBondContact CA-OD2 3.5Å; T24-D65 VanDerWaalsContact CB-OD2 3.23Å; T24-D65 WeakPolarHBondContact CB-OD2 3.42Å; T24-D65 WeakPolarHBondContact CG2-OD2 3.16Å; T24-D65 PolarHBondContact OG1-OD2 3.49Å; I27-D65 HydrophobicContact CD1-CB 3.47Å; I27-D65 VanDerWaalsContact CD1-CB 3.47Å; I45-D65 CarbonylContact C-O 3.58Å; I45-D65 VanDerWaalsContact CA-O 3.25Å; I45-D65 WeakPolarHBondContact CA-O 3.31Å; I45-D65 WeakPolarHBondContact CG2-O 3.45Å; D46-D65 HydrophobicContact CB-CB 4.28Å; D46-D65 PolarHBondContact N-O 3.03Å; D46-D65 PolarHBondContact O-N 2.89Å |
| 66 | T | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144.2 | -179.6 | 70.8 | 0 | 0 | 0 | 0 | 111.6 | V14 F15 L16 K23 I45 G68 I76 | V14-T66 HydrophobicContact CG2-CG2 3.67Å; F15-T66 WeakPolarHBondContact O-CB 3.46Å; F15-T66 WeakPolarHBondContact O-CG2 3.44Å; F15-T66 PolarHBondContact O-OG1 3.4Å; L16-T66 HydrophobicContact CD2-CG2 4.08Å; K23-T66 WeakPolarHBondContact CE-O 3.39Å; I45-T66 HydrophobicContact CG1-CG2 4.34Å; T66-G68 PolarHBondContact O-N 3.17Å; T66-I76 HydrophobicContact CG2-CG1 4.36Å |
| 67 | A | 89.9 | Confident | 92.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | trans | -64.1 | 131 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T42 G44 Q69 F72 | T42-A67 WeakPolarHBondContact O-CB 3.48Å; G44-A67 WeakPolarHBondContact O-CB 3.42Å; G44-A67 PolarHBondContact O-N 3.12Å; A67-Q69 VanDerWaalsContact C-N 3.26Å; A67-Q69 PolarHBondContact O-N 3.18Å; A67-F72 HydrophobicContact CB-CB 3.85Å; A67-F72 HydrophobicContact CB-CD2 3.49Å; A67-F72 VanDerWaalsContact CB-CD2 3.49Å; A67-F72 HydrophobicContact CB-CE2 4.38Å; A67-F72 HydrophobicContact CB-CG 3.95Å | ||
| 68 | G | 79.2 | Confident | 92.4 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | trans | -82.6 | 1.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q19 T66 | Q19-G68 PolarHBondContact N-O 3.01Å; T66-G68 PolarHBondContact O-N 3.17Å | ||
| 69 | Q | 86.7 | Confident | 92.5 | Very high | 46 Ų | 46 | 47 Ų | 47 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -81.6 | 139.4 | 179.4 | -59.2 | 179.8 | 53.8 | 0 | 0 | 110.4 | A67 R71 F72 | A67-Q69 VanDerWaalsContact C-N 3.26Å; A67-Q69 PolarHBondContact O-N 3.18Å; Q69-R71 VanDerWaalsContact C-N 3.29Å; Q69-R71 HydrophobicContact CB-CG 4.12Å; Q69-R71 PolarHBondContact O-N 2.8Å; Q69-F72 HydrophobicContact CB-CD2 3.96Å; Q69-F72 HydrophobicContact CB-CE2 4.38Å; Q69-F72 PolarHBondContact O-N 2.93Å; Q69-F72 VanDerWaalsContact O-N 3.11Å |
| 70 | E | 82.6 | Confident | 92.5 | Very high | 153 Ų | 153 | 47.2 Ų | 47.2 | 72% | 0.715 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -52.5 | -44.3 | -179 | 156.8 | -80.5 | 167.2 | 0 | 0 | 112.8 | F72 R73 | E70-F72 PolarHBondContact O-N 3.44Å; E70-R73 WeakPolarHBondContact O-CB 3.45Å; E70-R73 WeakPolarHBondContact O-CG 3.49Å; E70-R73 PolarHBondContact O-N 3.25Å |
| 71 | R | 89.2 | Confident | 92.4 | Very high | 174 Ų | 174 | 49.2 Ų | 49.2 | 66% | 0.657 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -57.4 | -15.9 | -179.7 | 67.5 | -178.9 | -66.1 | 171.5 | 1.6 | 115.9 | Q69 | Q69-R71 VanDerWaalsContact C-N 3.29Å; Q69-R71 HydrophobicContact CB-CG 4.12Å; Q69-R71 PolarHBondContact O-N 2.8Å |
| 72 | F | 90.7 | Very high | 92.1 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -107.1 | -1.4 | 177.4 | -59.5 | -61.8 | 0 | 0 | 0 | 113.3 | I43 A67 Q69 E70 S74 L75 | I43-F72 HydrophobicContact CB-CZ 4.39Å; I43-F72 HydrophobicContact CG2-CE1 4.16Å; I43-F72 HydrophobicContact CG2-CE2 4.42Å; I43-F72 HydrophobicContact CG2-CZ 3.74Å; A67-F72 HydrophobicContact CB-CB 3.85Å; A67-F72 HydrophobicContact CB-CD2 3.49Å; A67-F72 VanDerWaalsContact CB-CD2 3.49Å; A67-F72 HydrophobicContact CB-CE2 4.38Å; A67-F72 HydrophobicContact CB-CG 3.95Å; Q69-F72 HydrophobicContact CB-CD2 3.96Å; Q69-F72 HydrophobicContact CB-CE2 4.38Å; Q69-F72 PolarHBondContact O-N 2.93Å; Q69-F72 VanDerWaalsContact O-N 3.11Å; E70-F72 PolarHBondContact O-N 3.44Å; F72-S74 PolarHBondContact O-N 3.24Å; F72-L75 WeakPolarHBondContact O-CB 3.5Å; F72-L75 PolarHBondContact O-N 3.09Å; F72-L75 VanDerWaalsContact O-N 3.11Å |
| 73 | R | 89.1 | Confident | 92.1 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -61.8 | -27.6 | -175.4 | -73.2 | -175.4 | 93.2 | 117 | 0.8 | 113.6 | E18 E70 L75 I76 P77 W104 D107 | E18-R73 IonicContact OE1-NH1 3.73Å; E18-R73 PolarHBondContact OE1-NH1 2.94Å; E70-R73 WeakPolarHBondContact O-CB 3.45Å; E70-R73 WeakPolarHBondContact O-CG 3.49Å; E70-R73 PolarHBondContact O-N 3.25Å; R73-L75 PolarHBondContact O-N 2.85Å; R73-I76 HydrophobicContact CG-CD1 4.31Å; R73-I76 WeakPolarHBondContact O-CB 3.35Å; R73-I76 PolarHBondContact O-N 2.84Å; R73-I76 VanDerWaalsContact O-N 3.15Å; R73-P77 WeakPolarHBondContact O-CD 3.21Å; R73-W104 HydrophobicContact CG-CH2 4.26Å; R73-W104 VanDerWaalsContact NH2-CH2 3.28Å; R73-D107 IonicContact NH2-OD2 3.69Å; R73-D107 PolarHBondContact NH2-OD2 3.11Å |
| 74 | S | 92 | Very high | 92 | Very high | 103 Ų | 103 | 52.9 Ų | 52.9 | 72% | 0.72 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -62.4 | -20.9 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | F72 | F72-S74 PolarHBondContact O-N 3.24Š|
| 75 | L | 91.4 | Very high | 92 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 41% | 0.408 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -80.9 | -25.2 | 178 | -59.9 | 175.7 | 0 | 0 | 0 | 112.8 | I45 F72 R73 S78 Y79 | I45-L75 HydrophobicContact CD1-CB 3.74Å; F72-L75 WeakPolarHBondContact O-CB 3.5Å; F72-L75 PolarHBondContact O-N 3.09Å; F72-L75 VanDerWaalsContact O-N 3.11Å; R73-L75 PolarHBondContact O-N 2.85Å; L75-S78 PolarHBondContact O-OG 3.31Å; L75-S78 VanDerWaalsContact O-OG 3.09Å; L75-Y79 WeakPolarHBondContact O-CD2 3.08Å; L75-Y79 WeakPolarHBondContact O-CE2 3.4Å |
| 76 | I | 94.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -42.3 | -167.3 | -63.5 | 177.4 | 0 | 0 | 0 | 114.1 | L16 T66 R73 S78 Y79 I80 W104 | L16-I76 HydrophobicContact CD2-CG2 3.46Å; L16-I76 VanDerWaalsContact CD2-CG2 3.46Å; T66-I76 HydrophobicContact CG2-CG1 4.36Å; R73-I76 HydrophobicContact CG-CD1 4.31Å; R73-I76 WeakPolarHBondContact O-CB 3.35Å; R73-I76 PolarHBondContact O-N 2.84Å; R73-I76 VanDerWaalsContact O-N 3.15Å; I76-S78 VanDerWaalsContact C-N 3.29Å; I76-S78 PolarHBondContact O-N 3.1Å; I76-S78 VanDerWaalsContact O-N 3.13Å; I76-Y79 PolarHBondContact O-N 3.06Å; I76-I80 HydrophobicContact CG2-CD1 3.6Å; I76-I80 HydrophobicContact CG2-CG1 3.83Å; I76-I80 PolarHBondContact O-N 2.99Å; I76-I80 VanDerWaalsContact O-N 3.16Å; I76-W104 HydrophobicContact CD1-CH2 3.55Å; I76-W104 HydrophobicContact CD1-CZ3 3.62Å; I76-W104 HydrophobicContact CG2-CZ3 4.37Å |
| 77 | P | 94.8 | Very high | 92.3 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 24% | 0.24 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -49.2 | -43.1 | -175.7 | -35.2 | 39.6 | 0 | 0 | 0 | 115.1 | R73 Y79 I80 R81 E111 | R73-P77 WeakPolarHBondContact O-CD 3.21Å; P77-Y79 VanDerWaalsContact C-N 3.29Å; P77-Y79 PolarHBondContact O-N 3.37Å; P77-I80 PolarHBondContact O-N 3.42Å; P77-R81 WeakPolarHBondContact O-CG 3.46Å; P77-R81 PolarHBondContact O-N 3.15Å; P77-E111 HydrophobicContact CB-CG 4.15Å |
| 78 | S | 93.4 | Very high | 92.8 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 38% | 0.378 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.1 | -31.4 | -179.9 | 52 | 0 | 0 | 0 | 0 | 113.7 | L75 I76 | L75-S78 PolarHBondContact O-OG 3.31Å; L75-S78 VanDerWaalsContact O-OG 3.09Å; I76-S78 VanDerWaalsContact C-N 3.29Å; I76-S78 PolarHBondContact O-N 3.1Å; I76-S78 VanDerWaalsContact O-N 3.13Å |
| 79 | Y | 94.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -81.8 | -30.2 | 179.2 | -63.4 | -94.4 | 0 | 0 | 0 | 111.8 | I45 W64 L75 I76 P77 S83 | I45-Y79 HydrophobicContact CD1-CD1 4.49Å; I45-Y79 HydrophobicContact CD1-CD2 3.26Å; I45-Y79 HydrophobicContact CD1-CE1 4.39Å; I45-Y79 HydrophobicContact CD1-CE2 3.13Å; I45-Y79 HydrophobicContact CD1-CG 3.96Å; I45-Y79 HydrophobicContact CG1-CE2 4.41Å; I45-Y79 HydrophobicContact CG2-CD1 4.16Å; I45-Y79 HydrophobicContact CG2-CE1 3.92Å; W64-Y79 AromaticContact CD2-CD1 3.65Å; W64-Y79 HydrophobicContact CD2-CD1 3.65Å; W64-Y79 HydrophobicContact CD2-CE1 4.02Å; W64-Y79 AromaticContact CE3-CD1 3.53Å; W64-Y79 HydrophobicContact CE3-CD1 3.53Å; W64-Y79 AromaticContact CE3-CE1 3.43Å; W64-Y79 HydrophobicContact CE3-CE1 3.43Å; W64-Y79 VanDerWaalsContact CE3-CE1 3.43Å; W64-Y79 HydrophobicContact CG-CD1 4.13Å; W64-Y79 HydrophobicContact CH2-CD1 4.36Å; W64-Y79 AromaticContact CH2-CE1 3.9Å; W64-Y79 HydrophobicContact CH2-CE1 3.9Å; W64-Y79 HydrophobicContact CZ2-CD1 4.47Å; W64-Y79 HydrophobicContact CZ2-CE1 4.44Å; W64-Y79 AromaticContact CZ3-CD1 3.92Å; W64-Y79 HydrophobicContact CZ3-CD1 3.92Å; W64-Y79 AromaticContact CZ3-CE1 3.37Å; W64-Y79 HydrophobicContact CZ3-CE1 3.37Å; L75-Y79 WeakPolarHBondContact O-CD2 3.08Å; L75-Y79 WeakPolarHBondContact O-CE2 3.4Å; I76-Y79 PolarHBondContact O-N 3.06Å; P77-Y79 VanDerWaalsContact C-N 3.29Å; P77-Y79 PolarHBondContact O-N 3.37Å; Y79-S83 WeakPolarHBondContact O-CB 3.38Å; Y79-S83 PolarHBondContact O-N 3.33Å; Y79-S83 PolarHBondContact O-OG 3.4Å |
| 80 | I | 96.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.9 | -49.6 | 170.7 | -65.8 | -179.6 | 0 | 0 | 0 | 110.1 | V14 L16 I76 P77 D82 S83 V108 E111 R112 | V14-I80 HydrophobicContact CG1-CG1 4.32Å; L16-I80 HydrophobicContact CD1-CD1 3.8Å; L16-I80 HydrophobicContact CD1-CG1 4.06Å; L16-I80 HydrophobicContact CD2-CD1 4.33Å; L16-I80 HydrophobicContact CD2-CG1 4.4Å; I76-I80 HydrophobicContact CG2-CD1 3.6Å; I76-I80 HydrophobicContact CG2-CG1 3.83Å; I76-I80 PolarHBondContact O-N 2.99Å; I76-I80 VanDerWaalsContact O-N 3.16Å; P77-I80 PolarHBondContact O-N 3.42Å; I80-D82 PolarHBondContact O-N 2.85Å; I80-S83 PolarHBondContact O-N 3.23Å; I80-V108 HydrophobicContact CD1-CG2 4.15Å; I80-V108 HydrophobicContact CG2-CB 4.33Å; I80-V108 HydrophobicContact CG2-CG1 4.3Å; I80-V108 HydrophobicContact CG2-CG2 4.26Å; I80-E111 HydrophobicContact CB-CB 4.1Å; I80-E111 HydrophobicContact CG2-CB 3.57Å; I80-E111 HydrophobicContact CG2-CG 4.34Å; I80-R112 HydrophobicContact CG2-CB 4.17Å |
| 81 | R | 95.2 | Very high | 95 | Very high | 118 Ų | 118 | 41 Ų | 41 | 45% | 0.445 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.9 | -29.5 | -178.3 | -75.5 | -164 | -63.5 | -92.1 | 3.4 | 113.9 | P77 E111 R112 | P77-R81 WeakPolarHBondContact O-CG 3.46Å; P77-R81 PolarHBondContact O-N 3.15Å; R81-E111 WeakPolarHBondContact CD-OE2 3.5Å; R81-E111 HydrophobicContact CG-CB 3.96Å; R81-E111 WeakPolarHBondContact CG-O 3.39Å; R81-E111 WeakPolarHBondContact CG-OE2 3.23Å; R81-E111 IonicContact CZ-OE2 3.04Å; R81-E111 IonicContact NH1-OE2 3.72Å; R81-E111 PolarHBondContact NH1-OE2 3.04Å; R81-R112 VanDerWaalsContact O-CD 3.25Å; R81-R112 WeakPolarHBondContact O-CD 3.3Å; R81-R112 PolarHBondContact O-NH1 2.59Å |
| 82 | D | 91.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 32.7 Ų | 32.7 | 50% | 0.497 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -6.8 | -178.8 | -89.9 | 10.6 | 0 | 0 | 0 | 114.1 | K12 I80 | K12-D82 HydrophobicContact CD-CB 4.04Å; K12-D82 WeakPolarHBondContact CD-O 3.47Å; K12-D82 IonicContact NZ-OD2 2.72Å; K12-D82 PolarHBondContact NZ-OD2 3.41Å; I80-D82 PolarHBondContact O-N 2.85Å |
| 83 | S | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | trans | -84.2 | 141.7 | -171.6 | -72 | 0 | 0 | 0 | 0 | 112.7 | V14 Y79 I80 R112 | V14-S83 WeakPolarHBondContact CB-OG 3.46Å; V14-S83 WeakPolarHBondContact CG1-OG 3.38Å; Y79-S83 WeakPolarHBondContact O-CB 3.38Å; Y79-S83 PolarHBondContact O-N 3.33Å; Y79-S83 PolarHBondContact O-OG 3.4Å; I80-S83 PolarHBondContact O-N 3.23Å; S83-R112 PolarHBondContact O-NE 2.79Å | ||
| 84 | S | 96.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 16% | 0.161 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -85.7 | -26.5 | 171.9 | -44.3 | 0 | 0 | 0 | 0 | 111.7 | K12 I117 | K12-S84 PolarHBondContact O-N 2.91Å; S84-I117 PolarHBondContact O-N 3.43Å |
| 85 | A | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 149.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K12 L13 V14 I117 I167 L171 | K12-A85 PolarHBondContact O-N 2.96Å; L13-A85 WeakPolarHBondContact CA-O 3.41Å; L13-A85 HydrophobicContact CD1-CB 4.36Å; L13-A85 HydrophobicContact CG-CB 4.16Å; V14-A85 PolarHBondContact N-O 2.87Å; A85-I117 CarbonylContact C-O 3.58Å; A85-I117 WeakPolarHBondContact CA-O 3.4Å; A85-I117 HydrophobicContact CB-CB 3.96Å; A85-I117 HydrophobicContact CB-CG2 4.29Å; A85-I117 WeakPolarHBondContact CB-O 3.25Å; A85-I167 HydrophobicContact CB-CG2 3.73Å; A85-L171 HydrophobicContact CB-CD1 4.3Å; A85-L171 HydrophobicContact CB-CD2 4.33Å |
| 86 | A | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V14 L16 V108 V116 I117 I118 I119 | V14-A86 HydrophobicContact CG1-CB 3.97Å; V14-A86 WeakPolarHBondContact O-CA 3.45Å; L16-A86 HydrophobicContact CD1-CB 4.43Å; A86-V108 HydrophobicContact CB-CB 4.41Å; A86-V108 HydrophobicContact CB-CG1 3.86Å; A86-V108 HydrophobicContact CB-CG2 3.63Å; A86-V116 HydrophobicContact CB-CG2 4.48Å; A86-I117 PolarHBondContact N-O 3.13Å; A86-I118 WeakPolarHBondContact O-CA 3.48Å; A86-I119 PolarHBondContact O-N 2.97Å |
| 87 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 102.9 | 176.5 | -173.4 | 0 | 0 | 0 | 0 | 108 | V14 F15 L16 V89 I119 V121 L163 I167 | V14-V87 PolarHBondContact O-N 3.06Å; F15-V87 WeakPolarHBondContact CA-O 3.4Å; F15-V87 HydrophobicContact CD1-CB 3.85Å; F15-V87 HydrophobicContact CD1-CG1 3.88Å; F15-V87 HydrophobicContact CD1-CG2 4.41Å; F15-V87 HydrophobicContact CE1-CB 3.87Å; F15-V87 HydrophobicContact CE1-CG1 3.71Å; F15-V87 HydrophobicContact CE1-CG2 4.01Å; F15-V87 HydrophobicContact CE2-CG2 4.16Å; F15-V87 HydrophobicContact CG-CB 4.19Å; F15-V87 HydrophobicContact CZ-CB 4.19Å; F15-V87 HydrophobicContact CZ-CG1 4.38Å; F15-V87 HydrophobicContact CZ-CG2 3.84Å; L16-V87 PolarHBondContact N-O 3.33Å; V87-V89 HydrophobicContact CG1-CG2 3.92Å; V87-I119 HydrophobicContact CB-CG2 4.22Å; V87-I119 HydrophobicContact CG1-CG2 4.12Å; V87-I119 HydrophobicContact CG2-CG2 3.94Å; V87-V121 HydrophobicContact CG1-CB 4.5Å; V87-V121 HydrophobicContact CG1-CG2 3.61Å; V87-L163 HydrophobicContact CG1-CD2 4.46Å; V87-I167 HydrophobicContact CG2-CD1 3.65Å |
| 88 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 112.8 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | L16 A101 W104 V105 I118 I119 L120 V121 | L16-V88 HydrophobicContact CB-CG2 4.4Å; V88-A101 HydrophobicContact CG1-CB 4.1Å; V88-W104 HydrophobicContact CG1-CB 3.69Å; V88-W104 HydrophobicContact CG1-CG 4.44Å; V88-W104 HydrophobicContact CG2-CB 4.23Å; V88-V105 HydrophobicContact CB-CG2 4.41Å; V88-V105 HydrophobicContact CG1-CG2 4.41Å; V88-V105 HydrophobicContact CG2-CG2 3.99Å; V88-I118 HydrophobicContact CG2-CG2 4.22Å; V88-I119 PolarHBondContact N-O 2.74Å; V88-L120 HydrophobicContact CB-CD1 4.44Å; V88-L120 HydrophobicContact CG1-CD1 4.18Å; V88-L120 CarbonylContact O-C 3.57Å; V88-L120 WeakPolarHBondContact O-CA 3.43Å; V88-V121 PolarHBondContact O-N 2.85Å |
| 89 | V | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.5 | -171.4 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | F15 L16 V21 K23 L26 V87 V121 N123 | F15-V89 HydrophobicContact CD1-CG2 4.47Å; L16-V89 PolarHBondContact O-N 3.02Å; V21-V89 HydrophobicContact CB-CG1 4.22Å; V21-V89 HydrophobicContact CG2-CB 3.85Å; V21-V89 HydrophobicContact CG2-CG1 3.85Å; V21-V89 WeakPolarHBondContact CG2-O 3.25Å; K23-V89 HydrophobicContact CG-CB 4.14Å; K23-V89 HydrophobicContact CG-CG2 4.08Å; L26-V89 HydrophobicContact CD1-CG1 3.95Å; L26-V89 HydrophobicContact CD1-CG2 4.04Å; V87-V89 HydrophobicContact CG1-CG2 3.92Å; V89-V121 WeakPolarHBondContact CA-O 3.31Å; V89-V121 HydrophobicContact CG2-CB 4.3Å; V89-N123 HydrophobicContact CG1-CB 3.77Å |
| 90 | Y | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 161.4 | 165.8 | 72.5 | -87 | 0 | 0 | 0 | 110.8 | I92 F98 L120 V121 G122 N123 V133 F149 | Y90-I92 HydrophobicContact CE2-CG2 4Å; Y90-F98 HydrophobicContact CD1-CD2 4.16Å; Y90-F98 HydrophobicContact CD2-CB 3.81Å; Y90-F98 AromaticContact CD2-CD2 3.94Å; Y90-F98 HydrophobicContact CD2-CD2 3.94Å; Y90-F98 HydrophobicContact CD2-CG 4.35Å; Y90-F98 HydrophobicContact CE1-CD2 4.01Å; Y90-F98 HydrophobicContact CE1-CE2 4.49Å; Y90-F98 HydrophobicContact CE2-CB 4.33Å; Y90-F98 AromaticContact CE2-CD2 3.79Å; Y90-F98 HydrophobicContact CE2-CD2 3.79Å; Y90-F98 HydrophobicContact CE2-CG 4.44Å; Y90-F98 HydrophobicContact CG-CB 4.17Å; Y90-F98 HydrophobicContact CG-CD2 4.12Å; Y90-F98 AromaticContact CZ-CD2 3.82Å; Y90-L120 HydrophobicContact CD1-CD1 3.79Å; Y90-L120 HydrophobicContact CD1-CG 4.15Å; Y90-L120 HydrophobicContact CE1-CD1 4.06Å; Y90-L120 HydrophobicContact CE1-CD2 4.17Å; Y90-L120 HydrophobicContact CE1-CG 3.9Å; Y90-V121 WeakPolarHBondContact CD1-O 3.46Å; Y90-V121 PolarHBondContact N-O 3.26Å; Y90-G122 VanDerWaalsContact CE1-CA 3.41Å; Y90-N123 PolarHBondContact O-N 3.11Å; Y90-V133 HydrophobicContact CE2-CB 4.16Å; Y90-V133 HydrophobicContact CE2-CG1 3.86Å; Y90-F149 HydrophobicContact CE1-CE2 4.2Å; Y90-F149 WeakPolarHBondContact OH-CE2 3.4Å |
| 91 | D | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 30.3 Ų | 30.3 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 122.9 | 174.4 | 170.5 | 1.3 | 0 | 0 | 0 | 109.1 | V21 C93 N94 S97 K124 | V21-D91 HydrophobicContact CB-CB 4.36Å; V21-D91 HydrophobicContact CG1-CB 4.31Å; D91-C93 PolarHBondContact O-N 3.18Å; D91-C93 VanDerWaalsContact O-N 3.09Å; D91-C93 VanDerWaalsContact OD1-CB 3.3Å; D91-C93 WeakPolarHBondContact OD1-CB 3.19Å; D91-C93 PolarHBondContact OD1-N 3.09Å; D91-N94 HydrophobicContact CB-CB 4Å; D91-N94 CarbonylContact O-C 3.42Å; D91-N94 PolarHBondContact O-N 3.19Å; D91-S97 PolarHBondContact N-OG 2.85Å; D91-S97 PolarHBondContact O-OG 2.79Å; D91-K124 HydrophobicContact CB-CD 4.32Å; D91-K124 WeakPolarHBondContact OD2-CD 3.28Å; D91-K124 VanDerWaalsContact OD2-CE 3.3Å; D91-K124 WeakPolarHBondContact OD2-CE 3.43Å; D91-K124 IonicContact OD2-NZ 2.67Å; D91-K124 PolarHBondContact OD2-NZ 3.15Å |
| 92 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.1 | -178.6 | 66.4 | 159.4 | 0 | 0 | 0 | 113.3 | Y90 N123 K124 T125 R131 K132 V133 | Y90-I92 HydrophobicContact CE2-CG2 4Å; I92-N123 WeakPolarHBondContact CG1-O 3.11Å; I92-N123 WeakPolarHBondContact CG2-O 3.18Å; I92-N123 PolarHBondContact N-O 2.85Å; I92-K124 WeakPolarHBondContact CD1-O 3.4Å; I92-T125 HydrophobicContact CD1-CG2 4.29Å; I92-R131 HydrophobicContact CB-CG 4.49Å; I92-R131 HydrophobicContact CD1-CB 4.25Å; I92-R131 HydrophobicContact CD1-CG 4.25Å; I92-K132 PolarHBondContact O-N 3.16Å; I92-V133 PolarHBondContact O-N 3.02Å |
| 93 | C | 98.5 | Very high | 98.2 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -7.2 | 176.9 | -57 | 0 | 0 | 0 | 0 | 112.6 | D91 L127 K130 K132 | D91-C93 PolarHBondContact O-N 3.18Å; D91-C93 VanDerWaalsContact O-N 3.09Å; D91-C93 VanDerWaalsContact OD1-CB 3.3Å; D91-C93 WeakPolarHBondContact OD1-CB 3.19Å; D91-C93 PolarHBondContact OD1-N 3.09Å; C93-L127 WeakPolarHBondContact SG-CB 3.4Å; C93-L127 PolarHBondContact SG-O 2.96Å; C93-K130 HydrophobicContact CB-CB 4.41Å; C93-K132 WeakPolarHBondContact O-CD 3.45Å; C93-K132 WeakPolarHBondContact O-CE 3.34Å; C93-K132 WeakPolarHBondContact O-CG 3.47Å |
| 94 | N | 98.2 | Very high | 98.3 | Very high | 63 Ų | 63 | 26.9 Ų | 26.9 | 34% | 0.337 | 15% | 0.151 | S | C | . | . | trans | -125.5 | 90.2 | -176.3 | -176.4 | -10.5 | 0 | 0 | 0 | 110.5 | D91 G96 S97 F98 | D91-N94 HydrophobicContact CB-CB 4Å; D91-N94 CarbonylContact O-C 3.42Å; D91-N94 PolarHBondContact O-N 3.19Å; N94-G96 PolarHBondContact O-N 3.29Å; N94-G96 VanDerWaalsContact O-N 3.15Å; N94-G96 WeakPolarHBondContact OD1-CA 3.47Å; N94-G96 PolarHBondContact OD1-N 3.35Å; N94-S97 PolarHBondContact O-N 3.37Å; N94-S97 PolarHBondContact O-OG 3.06Å; N94-S97 PolarHBondContact OD1-N 3.41Å; N94-F98 PolarHBondContact O-N 2.8Å | ||
| 95 | A | 98 | Very high | 98.3 | Very high | 30 Ų | 30 | 25.8 Ų | 25.8 | 25% | 0.248 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.2 | -35.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S97 F98 H99 K132 V133 | A95-S97 VanDerWaalsContact C-N 3.3Å; A95-S97 PolarHBondContact O-N 2.78Å; A95-F98 WeakPolarHBondContact O-CB 3.25Å; A95-F98 PolarHBondContact O-N 3.12Å; A95-F98 VanDerWaalsContact O-N 3.09Å; A95-H99 PolarHBondContact O-N 2.88Å; A95-H99 PolarHBondContact O-ND1 3Å; A95-K132 HydrophobicContact CB-CB 4.39Å; A95-V133 HydrophobicContact CB-CG2 4.22Å |
| 96 | G | 98.3 | Very high | 98.3 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 42% | 0.423 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.8 | -40.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | N94 F98 H99 Q100 | N94-G96 PolarHBondContact O-N 3.29Å; N94-G96 VanDerWaalsContact O-N 3.15Å; N94-G96 WeakPolarHBondContact OD1-CA 3.47Å; N94-G96 PolarHBondContact OD1-N 3.35Å; G96-F98 VanDerWaalsContact C-N 3.3Å; G96-F98 PolarHBondContact O-N 3.16Å; G96-H99 PolarHBondContact O-N 3.04Å; G96-Q100 VanDerWaalsContact O-CG 3.32Å; G96-Q100 WeakPolarHBondContact O-CG 3.36Å; G96-Q100 PolarHBondContact O-N 3.31Å; G96-Q100 VanDerWaalsContact O-N 3.16Å |
| 97 | S | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -32.5 | 176.3 | 72.9 | 0 | 0 | 0 | 0 | 113.2 | D91 N94 A95 A101 | D91-S97 PolarHBondContact N-OG 2.85Å; D91-S97 PolarHBondContact O-OG 2.79Å; N94-S97 PolarHBondContact O-N 3.37Å; N94-S97 PolarHBondContact O-OG 3.06Å; N94-S97 PolarHBondContact OD1-N 3.41Å; A95-S97 VanDerWaalsContact C-N 3.3Å; A95-S97 PolarHBondContact O-N 2.78Å; S97-A101 PolarHBondContact O-N 2.84Å |
| 98 | F | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 31.4 Ų | 31.4 | 11% | 0.105 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.6 | -44.8 | 174.9 | 172.3 | -104.8 | 0 | 0 | 0 | 111.9 | Y90 N94 A95 G96 Q100 A101 V133 E137 L141 | Y90-F98 HydrophobicContact CD1-CD2 4.16Å; Y90-F98 HydrophobicContact CD2-CB 3.81Å; Y90-F98 AromaticContact CD2-CD2 3.94Å; Y90-F98 HydrophobicContact CD2-CD2 3.94Å; Y90-F98 HydrophobicContact CD2-CG 4.35Å; Y90-F98 HydrophobicContact CE1-CD2 4.01Å; Y90-F98 HydrophobicContact CE1-CE2 4.49Å; Y90-F98 HydrophobicContact CE2-CB 4.33Å; Y90-F98 AromaticContact CE2-CD2 3.79Å; Y90-F98 HydrophobicContact CE2-CD2 3.79Å; Y90-F98 HydrophobicContact CE2-CG 4.44Å; Y90-F98 HydrophobicContact CG-CB 4.17Å; Y90-F98 HydrophobicContact CG-CD2 4.12Å; Y90-F98 AromaticContact CZ-CD2 3.82Å; N94-F98 PolarHBondContact O-N 2.8Å; A95-F98 WeakPolarHBondContact O-CB 3.25Å; A95-F98 PolarHBondContact O-N 3.12Å; A95-F98 VanDerWaalsContact O-N 3.09Å; G96-F98 VanDerWaalsContact C-N 3.3Å; G96-F98 PolarHBondContact O-N 3.16Å; F98-Q100 PolarHBondContact O-N 2.88Å; F98-A101 WeakPolarHBondContact O-CB 3.42Å; F98-A101 PolarHBondContact O-N 2.9Å; F98-V133 HydrophobicContact CB-CG1 4.33Å; F98-V133 HydrophobicContact CB-CG2 3.74Å; F98-V133 HydrophobicContact CD1-CG1 4.01Å; F98-V133 HydrophobicContact CD1-CG2 4.21Å; F98-V133 HydrophobicContact CD2-CG1 3.71Å; F98-V133 HydrophobicContact CE1-CG1 4.19Å; F98-V133 HydrophobicContact CE2-CG1 3.9Å; F98-V133 HydrophobicContact CG-CG1 3.75Å; F98-V133 HydrophobicContact CG-CG2 3.97Å; F98-V133 HydrophobicContact CZ-CG1 4.13Å; F98-E137 HydrophobicContact CE1-CB 4.49Å; F98-E137 HydrophobicContact CZ-CB 4.09Å; F98-E137 WeakPolarHBondContact CZ-O 3.4Å; F98-L141 HydrophobicContact CD2-CD2 3.98Å; F98-L141 HydrophobicContact CE1-CD2 4.39Å; F98-L141 HydrophobicContact CE2-CB 3.93Å; F98-L141 HydrophobicContact CE2-CD2 3.37Å; F98-L141 HydrophobicContact CE2-CG 4.28Å; F98-L141 HydrophobicContact CZ-CB 3.81Å; F98-L141 HydrophobicContact CZ-CD2 3.63Å; F98-L141 HydrophobicContact CZ-CG 4.31Å |
| 99 | H | 98.2 | Very high | 98.1 | Very high | 133 Ų | 133 | 35.5 Ų | 35.5 | 62% | 0.616 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -59.8 | -35.2 | 176.3 | -70.8 | 84.8 | 0 | 0 | 0 | 112.1 | A95 G96 A101 | A95-H99 PolarHBondContact O-N 2.88Å; A95-H99 PolarHBondContact O-ND1 3Å; G96-H99 PolarHBondContact O-N 3.04Å; H99-A101 VanDerWaalsContact C-N 3.31Å; H99-A101 PolarHBondContact O-N 3.48Å |
| 100 | Q | 97.9 | Very high | 97.9 | Very high | 72 Ų | 72 | 41.6 Ų | 41.6 | 34% | 0.336 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.1 | 177.1 | -66.4 | -66.1 | 101.9 | 0 | 0 | 113.7 | E18 G96 F98 S102 K103 W104 | E18-Q100 HydrophobicContact CG-CB 3.76Å; E18-Q100 HydrophobicContact CG-CG 4.05Å; G96-Q100 VanDerWaalsContact O-CG 3.32Å; G96-Q100 WeakPolarHBondContact O-CG 3.36Å; G96-Q100 PolarHBondContact O-N 3.31Å; G96-Q100 VanDerWaalsContact O-N 3.16Å; F98-Q100 PolarHBondContact O-N 2.88Å; Q100-S102 VanDerWaalsContact C-N 3.34Å; Q100-S102 PolarHBondContact O-N 3Å; Q100-K103 WeakPolarHBondContact O-CB 3.27Å; Q100-K103 PolarHBondContact O-N 2.81Å; Q100-K103 VanDerWaalsContact O-N 3.16Å; Q100-W104 VanDerWaalsContact O-CD1 3.22Å; Q100-W104 PolarHBondContact O-N 3.43Å |
| 101 | A | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -39.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V88 S97 F98 H99 K103 W104 V105 L120 L141 | V88-A101 HydrophobicContact CG1-CB 4.1Å; S97-A101 PolarHBondContact O-N 2.84Å; F98-A101 WeakPolarHBondContact O-CB 3.42Å; F98-A101 PolarHBondContact O-N 2.9Å; H99-A101 VanDerWaalsContact C-N 3.31Å; H99-A101 PolarHBondContact O-N 3.48Å; A101-K103 VanDerWaalsContact C-N 3.28Å; A101-K103 PolarHBondContact O-N 3.15Å; A101-W104 WeakPolarHBondContact O-CB 3.5Å; A101-W104 PolarHBondContact O-N 2.91Å; A101-W104 VanDerWaalsContact O-N 3.12Å; A101-V105 PolarHBondContact O-N 2.92Å; A101-L120 HydrophobicContact CB-CD1 3.73Å; A101-L141 HydrophobicContact CB-CD2 4.44Å |
| 102 | S | 98.1 | Very high | 97.6 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.2 | -41.5 | 175.9 | -52.1 | 0 | 0 | 0 | 0 | 112 | Q100 W104 V105 D106 | Q100-S102 VanDerWaalsContact C-N 3.34Å; Q100-S102 PolarHBondContact O-N 3Å; S102-W104 VanDerWaalsContact C-N 3.31Å; S102-W104 PolarHBondContact O-N 3.33Å; S102-V105 WeakPolarHBondContact O-CB 3.42Å; S102-V105 PolarHBondContact O-N 3.41Å; S102-V105 VanDerWaalsContact O-N 3.12Å; S102-D106 VanDerWaalsContact O-CG 3.28Å; S102-D106 PolarHBondContact O-N 3.46Å |
| 103 | K | 97.2 | Very high | 97.3 | Very high | 104 Ų | 104 | 50 Ų | 50 | 45% | 0.452 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 177.2 | -175.3 | -179.8 | 178.7 | 178.7 | 0 | 111.6 | Q100 A101 V105 D106 D107 | Q100-K103 WeakPolarHBondContact O-CB 3.27Å; Q100-K103 PolarHBondContact O-N 2.81Å; Q100-K103 VanDerWaalsContact O-N 3.16Å; A101-K103 VanDerWaalsContact C-N 3.28Å; A101-K103 PolarHBondContact O-N 3.15Å; K103-V105 VanDerWaalsContact C-N 3.33Å; K103-D106 PolarHBondContact O-N 3.27Å; K103-D107 PolarHBondContact O-N 2.98Å |
| 104 | W | 97.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 175.3 | -72.1 | 109 | 0 | 0 | 0 | 112.5 | L16 G17 E18 R73 I76 V88 Q100 A101 S102 V108 | L16-W104 HydrophobicContact CB-CD2 4.28Å; L16-W104 HydrophobicContact CB-CE3 3.99Å; L16-W104 HydrophobicContact CD1-CE3 4.46Å; L16-W104 HydrophobicContact CD2-CE3 4.21Å; L16-W104 HydrophobicContact CD2-CZ3 4.07Å; L16-W104 HydrophobicContact CG-CE3 4.46Å; G17-W104 WeakPolarHBondContact O-CZ2 3.32Å; E18-W104 PolarHBondContact OE1-NE1 2.87Å; R73-W104 HydrophobicContact CG-CH2 4.26Å; R73-W104 VanDerWaalsContact NH2-CH2 3.28Å; I76-W104 HydrophobicContact CD1-CH2 3.55Å; I76-W104 HydrophobicContact CD1-CZ3 3.62Å; I76-W104 HydrophobicContact CG2-CZ3 4.37Å; V88-W104 HydrophobicContact CG1-CB 3.69Å; V88-W104 HydrophobicContact CG1-CG 4.44Å; V88-W104 HydrophobicContact CG2-CB 4.23Å; Q100-W104 VanDerWaalsContact O-CD1 3.22Å; Q100-W104 PolarHBondContact O-N 3.43Å; A101-W104 WeakPolarHBondContact O-CB 3.5Å; A101-W104 PolarHBondContact O-N 2.91Å; A101-W104 VanDerWaalsContact O-N 3.12Å; S102-W104 VanDerWaalsContact C-N 3.31Å; S102-W104 PolarHBondContact O-N 3.33Å; W104-V108 WeakPolarHBondContact O-CG2 3.42Å; W104-V108 PolarHBondContact O-N 2.88Å; W104-V108 VanDerWaalsContact O-N 3.09Å |
| 105 | V | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | V88 A101 S102 K103 V108 R109 I118 L145 V147 | V88-V105 HydrophobicContact CB-CG2 4.41Å; V88-V105 HydrophobicContact CG1-CG2 4.41Å; V88-V105 HydrophobicContact CG2-CG2 3.99Å; A101-V105 PolarHBondContact O-N 2.92Å; S102-V105 WeakPolarHBondContact O-CB 3.42Å; S102-V105 PolarHBondContact O-N 3.41Å; S102-V105 VanDerWaalsContact O-N 3.12Å; K103-V105 VanDerWaalsContact C-N 3.33Å; V105-V108 WeakPolarHBondContact O-CB 3.5Å; V105-V108 PolarHBondContact O-N 3.34Å; V105-R109 WeakPolarHBondContact O-CG 3.39Å; V105-R109 PolarHBondContact O-N 2.88Å; V105-I118 HydrophobicContact CG1-CD1 4.09Å; V105-I118 HydrophobicContact CG1-CG2 4.49Å; V105-I118 HydrophobicContact CG2-CG2 4.07Å; V105-L145 HydrophobicContact CB-CD1 4.27Å; V105-L145 HydrophobicContact CG1-CD1 4.43Å; V105-L145 HydrophobicContact CG2-CD1 4.01Å; V105-V147 HydrophobicContact CG1-CG1 4.17Å |
| 106 | D | 97.3 | Very high | 95.9 | Very high | 73 Ų | 73 | 54.9 Ų | 54.9 | 39% | 0.39 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 175.6 | -64.4 | -25.9 | 0 | 0 | 0 | 111.4 | S102 K103 V108 R109 N110 | S102-D106 VanDerWaalsContact O-CG 3.28Å; S102-D106 PolarHBondContact O-N 3.46Å; K103-D106 PolarHBondContact O-N 3.27Å; D106-V108 VanDerWaalsContact C-N 3.26Å; D106-V108 PolarHBondContact O-N 3.11Å; D106-R109 PolarHBondContact O-N 2.96Å; D106-N110 WeakPolarHBondContact O-CB 3.35Å; D106-N110 PolarHBondContact O-N 3.35Å; D106-N110 PolarHBondContact O-ND2 3.11Å; D106-N110 VanDerWaalsContact O-ND2 3.13Å |
| 107 | D | 96.3 | Very high | 95.9 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.1 | -41.8 | 173.8 | -69.7 | -18.4 | 0 | 0 | 0 | 110.7 | R73 K103 E111 | R73-D107 IonicContact NH2-OD2 3.69Å; R73-D107 PolarHBondContact NH2-OD2 3.11Å; K103-D107 PolarHBondContact O-N 2.98Å; D107-E111 WeakPolarHBondContact O-CG 3.45Å; D107-E111 PolarHBondContact O-N 2.95Å |
| 108 | V | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | L16 I80 A86 W104 V105 D106 N110 E111 R112 V116 I118 | L16-V108 HydrophobicContact CD1-CG2 3.29Å; I80-V108 HydrophobicContact CD1-CG2 4.15Å; I80-V108 HydrophobicContact CG2-CB 4.33Å; I80-V108 HydrophobicContact CG2-CG1 4.3Å; I80-V108 HydrophobicContact CG2-CG2 4.26Å; A86-V108 HydrophobicContact CB-CB 4.41Å; A86-V108 HydrophobicContact CB-CG1 3.86Å; A86-V108 HydrophobicContact CB-CG2 3.63Å; W104-V108 WeakPolarHBondContact O-CG2 3.42Å; W104-V108 PolarHBondContact O-N 2.88Å; W104-V108 VanDerWaalsContact O-N 3.09Å; V105-V108 WeakPolarHBondContact O-CB 3.5Å; V105-V108 PolarHBondContact O-N 3.34Å; D106-V108 VanDerWaalsContact C-N 3.26Å; D106-V108 PolarHBondContact O-N 3.11Å; V108-N110 VanDerWaalsContact C-N 3.35Å; V108-N110 PolarHBondContact O-N 2.91Å; V108-E111 PolarHBondContact O-N 2.9Å; V108-R112 WeakPolarHBondContact O-CB 3.46Å; V108-R112 PolarHBondContact O-N 2.9Å; V108-V116 HydrophobicContact CG1-CG1 3.66Å; V108-V116 HydrophobicContact CG1-CG2 4.16Å; V108-I118 HydrophobicContact CB-CD1 4.08Å; V108-I118 HydrophobicContact CG1-CD1 3.59Å; V108-I118 HydrophobicContact CG1-CG1 3.91Å |
| 109 | R | 97 | Very high | 95.9 | Very high | 87 Ų | 87 | 52.8 Ų | 52.8 | 33% | 0.328 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | -179.2 | -74.1 | 174 | 163 | 166.4 | -5.9 | 112.6 | V105 D106 E111 G113 I118 L145 | V105-R109 WeakPolarHBondContact O-CG 3.39Å; V105-R109 PolarHBondContact O-N 2.88Å; D106-R109 PolarHBondContact O-N 2.96Å; R109-E111 VanDerWaalsContact C-N 3.35Å; R109-G113 WeakPolarHBondContact O-CA 3.4Å; R109-G113 PolarHBondContact O-N 3.48Å; R109-I118 HydrophobicContact CG-CD1 4.15Å; R109-L145 PolarHBondContact NH1-O 2.83Å; R109-L145 PolarHBondContact NH2-O 3.48Å |
| 110 | N | 96.4 | Very high | 95.9 | Very high | 128 Ų | 128 | 46.5 Ų | 46.5 | 68% | 0.684 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -66.8 | -37.7 | 179.1 | -70.4 | -27.3 | 0 | 0 | 0 | 112 | D106 V108 | D106-N110 WeakPolarHBondContact O-CB 3.35Å; D106-N110 PolarHBondContact O-N 3.35Å; D106-N110 PolarHBondContact O-ND2 3.11Å; D106-N110 VanDerWaalsContact O-ND2 3.13Å; V108-N110 VanDerWaalsContact C-N 3.35Å; V108-N110 PolarHBondContact O-N 2.91Å |
| 111 | E | 96.4 | Very high | 96 | Very high | 70 Ų | 70 | 43 Ų | 43 | 33% | 0.327 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -85.3 | -37.6 | -178.3 | -68.3 | -63.9 | 154.4 | 0 | 0 | 113.1 | P77 I80 R81 D107 V108 R109 | P77-E111 HydrophobicContact CB-CG 4.15Å; I80-E111 HydrophobicContact CB-CB 4.1Å; I80-E111 HydrophobicContact CG2-CB 3.57Å; I80-E111 HydrophobicContact CG2-CG 4.34Å; R81-E111 WeakPolarHBondContact CD-OE2 3.5Å; R81-E111 HydrophobicContact CG-CB 3.96Å; R81-E111 WeakPolarHBondContact CG-O 3.39Å; R81-E111 WeakPolarHBondContact CG-OE2 3.23Å; R81-E111 IonicContact CZ-OE2 3.04Å; R81-E111 IonicContact NH1-OE2 3.72Å; R81-E111 PolarHBondContact NH1-OE2 3.04Å; D107-E111 WeakPolarHBondContact O-CG 3.45Å; D107-E111 PolarHBondContact O-N 2.95Å; V108-E111 PolarHBondContact O-N 2.9Å; R109-E111 VanDerWaalsContact C-N 3.35Å |
| 112 | R | 94.2 | Very high | 96 | Very high | 86 Ų | 86 | 43 Ų | 43 | 33% | 0.325 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -111.6 | -13.8 | -170.3 | -171.3 | 61.6 | -170.2 | 176.2 | 9.3 | 114.2 | I80 R81 S83 V108 D115 V116 | I80-R112 HydrophobicContact CG2-CB 4.17Å; R81-R112 VanDerWaalsContact O-CD 3.25Å; R81-R112 WeakPolarHBondContact O-CD 3.3Å; R81-R112 PolarHBondContact O-NH1 2.59Å; S83-R112 PolarHBondContact O-NE 2.79Å; V108-R112 WeakPolarHBondContact O-CB 3.46Å; V108-R112 PolarHBondContact O-N 2.9Å; R112-D115 IonicContact NH2-OD2 3.9Å; R112-V116 HydrophobicContact CB-CB 4.33Å; R112-V116 HydrophobicContact CB-CG1 4.1Å; R112-V116 HydrophobicContact CG-CB 3.58Å; R112-V116 HydrophobicContact CG-CG1 3.87Å; R112-V116 HydrophobicContact CG-CG2 4.11Å |
| 113 | G | 91.5 | Very high | 96 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | -153.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R109 | R109-G113 WeakPolarHBondContact O-CA 3.4Å; R109-G113 PolarHBondContact O-N 3.48Å |
| 114 | G | 85.5 | Confident | 96.1 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 85% | 0.845 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -10.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V116 | G114-V116 PolarHBondContact O-N 2.91Å; G114-V116 VanDerWaalsContact O-N 3.08Å |
| 115 | D | 86.5 | Confident | 96.2 | Very high | 116 Ų | 116 | 39.8 Ų | 39.8 | 62% | 0.62 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -87.8 | 54.9 | -178.4 | -173.6 | 41.6 | 0 | 0 | 0 | 111.5 | R112 | R112-D115 IonicContact NH2-OD2 3.9Š|
| 116 | V | 95 | Very high | 96.2 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -150.7 | 131.8 | 177.4 | 59.7 | 0 | 0 | 0 | 0 | 110.6 | A86 V108 R112 G114 I118 | A86-V116 HydrophobicContact CB-CG2 4.48Å; V108-V116 HydrophobicContact CG1-CG1 3.66Å; V108-V116 HydrophobicContact CG1-CG2 4.16Å; R112-V116 HydrophobicContact CB-CB 4.33Å; R112-V116 HydrophobicContact CB-CG1 4.1Å; R112-V116 HydrophobicContact CG-CB 3.58Å; R112-V116 HydrophobicContact CG-CG1 3.87Å; R112-V116 HydrophobicContact CG-CG2 4.11Å; G114-V116 PolarHBondContact O-N 2.91Å; G114-V116 VanDerWaalsContact O-N 3.08Å; V116-I118 HydrophobicContact CG1-CD1 4.19Å; V116-I118 HydrophobicContact CG1-CG1 4.04Å; V116-I118 PolarHBondContact O-N 2.93Å |
| 117 | I | 97.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 122.5 | 173 | -69.4 | 158.2 | 0 | 0 | 0 | 108.5 | S84 A85 A86 M148 E170 L171 | S84-I117 PolarHBondContact O-N 3.43Å; A85-I117 CarbonylContact C-O 3.58Å; A85-I117 WeakPolarHBondContact CA-O 3.4Å; A85-I117 HydrophobicContact CB-CB 3.96Å; A85-I117 HydrophobicContact CB-CG2 4.29Å; A85-I117 WeakPolarHBondContact CB-O 3.25Å; A86-I117 PolarHBondContact N-O 3.13Å; I117-M148 HydrophobicContact CG2-CE 3.19Å; I117-E170 HydrophobicContact CD1-CB 3.89Å; I117-E170 HydrophobicContact CD1-CG 3.43Å; I117-E170 VanDerWaalsContact CD1-CG 3.43Å; I117-E170 HydrophobicContact CG1-CG 3.76Å; I117-E170 HydrophobicContact CG2-CG 4.26Å; I117-L171 HydrophobicContact CD1-CB 4.21Å; I117-L171 HydrophobicContact CD1-CD2 3.55Å; I117-L171 HydrophobicContact CD1-CG 3.58Å |
| 118 | I | 98.5 | Very high | 96.2 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.1 | 175.9 | -50.2 | 179.1 | 0 | 0 | 0 | 108.6 | A86 V88 V105 V108 R109 V116 V147 M148 | A86-I118 WeakPolarHBondContact O-CA 3.48Å; V88-I118 HydrophobicContact CG2-CG2 4.22Å; V105-I118 HydrophobicContact CG1-CD1 4.09Å; V105-I118 HydrophobicContact CG1-CG2 4.49Å; V105-I118 HydrophobicContact CG2-CG2 4.07Å; V108-I118 HydrophobicContact CB-CD1 4.08Å; V108-I118 HydrophobicContact CG1-CD1 3.59Å; V108-I118 HydrophobicContact CG1-CG1 3.91Å; R109-I118 HydrophobicContact CG-CD1 4.15Å; V116-I118 HydrophobicContact CG1-CD1 4.19Å; V116-I118 HydrophobicContact CG1-CG1 4.04Å; V116-I118 PolarHBondContact O-N 2.93Å; I118-V147 HydrophobicContact CB-CB 4.13Å; I118-V147 HydrophobicContact CB-CG1 3.64Å; I118-V147 HydrophobicContact CD1-CG1 4.41Å; I118-V147 HydrophobicContact CG2-CB 4.17Å; I118-V147 HydrophobicContact CG2-CG1 3.73Å; I118-V147 WeakPolarHBondContact O-CB 3.48Å; I118-M148 PolarHBondContact O-N 2.82Å |
| 119 | I | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.2 | 171.8 | -175 | 154.8 | 0 | 0 | 0 | 110.4 | A86 V87 V88 V121 M148 I150 L163 I167 | A86-I119 PolarHBondContact O-N 2.97Å; V87-I119 HydrophobicContact CB-CG2 4.22Å; V87-I119 HydrophobicContact CG1-CG2 4.12Å; V87-I119 HydrophobicContact CG2-CG2 3.94Å; V88-I119 PolarHBondContact N-O 2.74Å; I119-V121 HydrophobicContact CG1-CG2 4.15Å; I119-V121 HydrophobicContact CG2-CG2 4.36Å; I119-M148 WeakPolarHBondContact CA-O 3.3Å; I119-M148 HydrophobicContact CB-CB 4.02Å; I119-M148 HydrophobicContact CB-CE 4.17Å; I119-M148 HydrophobicContact CD1-CB 3.9Å; I119-M148 HydrophobicContact CD1-CE 4.28Å; I119-M148 HydrophobicContact CG1-CB 3.86Å; I119-I150 HydrophobicContact CD1-CB 4.49Å; I119-I150 HydrophobicContact CD1-CG2 3.81Å; I119-I150 HydrophobicContact CG1-CG2 4.28Å; I119-L163 HydrophobicContact CD1-CD1 3.61Å; I119-L163 HydrophobicContact CG1-CD1 4.17Å; I119-L163 HydrophobicContact CG2-CD1 4.06Å; I119-I167 HydrophobicContact CG2-CD1 3.9Å; I119-I167 HydrophobicContact CG2-CG1 4.05Å |
| 120 | L | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.4 | 170.2 | -176.3 | 66 | 0 | 0 | 0 | 109.2 | V88 Y90 A101 L141 A142 V147 M148 F149 I150 | V88-L120 HydrophobicContact CB-CD1 4.44Å; V88-L120 HydrophobicContact CG1-CD1 4.18Å; V88-L120 CarbonylContact O-C 3.57Å; V88-L120 WeakPolarHBondContact O-CA 3.43Å; Y90-L120 HydrophobicContact CD1-CD1 3.79Å; Y90-L120 HydrophobicContact CD1-CG 4.15Å; Y90-L120 HydrophobicContact CE1-CD1 4.06Å; Y90-L120 HydrophobicContact CE1-CD2 4.17Å; Y90-L120 HydrophobicContact CE1-CG 3.9Å; A101-L120 HydrophobicContact CB-CD1 3.73Å; L120-L141 HydrophobicContact CD2-CB 4.28Å; L120-L141 HydrophobicContact CD2-CD2 3.98Å; L120-L141 HydrophobicContact CD2-CG 4.14Å; L120-A142 HydrophobicContact CB-CB 4.47Å; L120-A142 HydrophobicContact CD2-CB 4.18Å; L120-V147 HydrophobicContact CB-CG2 4.04Å; L120-M148 PolarHBondContact N-O 3.14Å; L120-F149 HydrophobicContact CB-CD2 4.24Å; L120-F149 HydrophobicContact CD2-CD2 4.19Å; L120-F149 HydrophobicContact CG-CD2 4.2Å; L120-F149 WeakPolarHBondContact O-CA 3.49Å; L120-F149 WeakPolarHBondContact O-CD2 3.19Å; L120-I150 PolarHBondContact O-N 3.16Å; L120-I150 VanDerWaalsContact O-N 3.15Å |
| 121 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 112.7 | -175.7 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | L26 V87 V88 V89 Y90 I119 N123 I150 T152 L163 | L26-V121 HydrophobicContact CD1-CG1 4.16Å; V87-V121 HydrophobicContact CG1-CB 4.5Å; V87-V121 HydrophobicContact CG1-CG2 3.61Å; V88-V121 PolarHBondContact O-N 2.85Å; V89-V121 WeakPolarHBondContact CA-O 3.31Å; V89-V121 HydrophobicContact CG2-CB 4.3Å; Y90-V121 WeakPolarHBondContact CD1-O 3.46Å; Y90-V121 PolarHBondContact N-O 3.26Å; I119-V121 HydrophobicContact CG1-CG2 4.15Å; I119-V121 HydrophobicContact CG2-CG2 4.36Å; V121-N123 PolarHBondContact O-N 3.38Å; V121-I150 VanDerWaalsContact CA-O 3.3Å; V121-I150 WeakPolarHBondContact CA-O 3.13Å; V121-I150 HydrophobicContact CG1-CG2 4.5Å; V121-I150 HydrophobicContact CG2-CG2 4.09Å; V121-T152 HydrophobicContact CG1-CG2 3.85Å; V121-T152 VanDerWaalsContact CG1-OG1 3.31Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.45Å; V121-L163 HydrophobicContact CG1-CD2 4.33Å; V121-L163 HydrophobicContact CG2-CD1 3.78Å; V121-L163 HydrophobicContact CG2-CD2 4.08Å |
| 122 | G | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 101.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y90 I150 E151 T152 | Y90-G122 VanDerWaalsContact CE1-CA 3.41Å; G122-I150 PolarHBondContact N-O 3.42Å; G122-I150 VanDerWaalsContact N-O 3.09Å; G122-E151 CarbonylContact O-C 3.59Å; G122-E151 WeakPolarHBondContact O-CA 3.34Å; G122-E151 WeakPolarHBondContact O-CB 3.34Å; G122-T152 PolarHBondContact O-N 2.82Å |
| 123 | N | 98.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 164.7 | -175.3 | -169.2 | 36 | 0 | 0 | 0 | 112.8 | V21 L26 V89 Y90 I92 V121 T152 A154 | V21-N123 PolarHBondContact O-ND2 2.92Å; L26-N123 HydrophobicContact CD1-CB 4.43Å; V89-N123 HydrophobicContact CG1-CB 3.77Å; Y90-N123 PolarHBondContact O-N 3.11Å; I92-N123 WeakPolarHBondContact CG1-O 3.11Å; I92-N123 WeakPolarHBondContact CG2-O 3.18Å; I92-N123 PolarHBondContact N-O 2.85Å; V121-N123 PolarHBondContact O-N 3.38Å; N123-T152 CarbonylContact C-O 3.49Å; N123-T152 VanDerWaalsContact CA-O 3.3Å; N123-T152 WeakPolarHBondContact CA-O 3.47Å; N123-T152 PolarHBondContact OD1-O 2.94Å; N123-T152 PolarHBondContact OD1-OG1 2.71Å; N123-T152 VanDerWaalsContact OD1-OG1 3.08Å; N123-A154 PolarHBondContact OD1-N 2.99Å |
| 124 | K | 98.5 | Very high | 97 | Very high | 45 Ų | 45 | 50.9 Ų | 50.9 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | trans | 73 | 37.7 | 179.4 | -45.6 | -169.4 | -164.6 | 168.6 | 0 | 114.4 | S20 D91 I92 D126 L127 T152 | S20-K124 VanDerWaalsContact O-CE 3.22Å; S20-K124 WeakPolarHBondContact O-CE 3.2Å; S20-K124 PolarHBondContact O-NZ 2.78Å; D91-K124 HydrophobicContact CB-CD 4.32Å; D91-K124 WeakPolarHBondContact OD2-CD 3.28Å; D91-K124 VanDerWaalsContact OD2-CE 3.3Å; D91-K124 WeakPolarHBondContact OD2-CE 3.43Å; D91-K124 IonicContact OD2-NZ 2.67Å; D91-K124 PolarHBondContact OD2-NZ 3.15Å; I92-K124 WeakPolarHBondContact CD1-O 3.4Å; K124-D126 WeakPolarHBondContact CA-OD1 2.85Å; K124-D126 PolarHBondContact O-N 3.33Å; K124-D126 VanDerWaalsContact O-N 3.1Å; K124-L127 HydrophobicContact CB-CD1 4.32Å; K124-L127 HydrophobicContact CD-CD1 4.3Å; K124-L127 WeakPolarHBondContact O-CB 3.23Å; K124-L127 PolarHBondContact O-N 3.09Å; K124-T152 PolarHBondContact N-O 3.28Å | ||
| 125 | T | 98.7 | Very high | 97.6 | Very high | 24 Ų | 24 | 49 Ų | 49 | 15% | 0.147 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -61.2 | -15.9 | 174.6 | 57 | 0 | 0 | 0 | 0 | 114.7 | I92 L127 S128 E151 T152 S153 | I92-T125 HydrophobicContact CD1-CG2 4.29Å; T125-L127 PolarHBondContact O-N 3.43Å; T125-S128 PolarHBondContact O-N 2.81Å; T125-E151 HydrophobicContact CG2-CB 3.7Å; T125-E151 HydrophobicContact CG2-CG 4.46Å; T125-T152 PolarHBondContact N-O 2.71Å; T125-T152 PolarHBondContact OG1-O 3.38Å; T125-S153 WeakPolarHBondContact OG1-CB 3.01Å |
| 126 | D | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -64.3 | -13.1 | 168.8 | 58.4 | -73.5 | 0 | 0 | 0 | 113.8 | K124 S153 K155 A156 | K124-D126 WeakPolarHBondContact CA-OD1 2.85Å; K124-D126 PolarHBondContact O-N 3.33Å; K124-D126 VanDerWaalsContact O-N 3.1Å; D126-S153 WeakPolarHBondContact CB-OG 3.22Å; D126-S153 VanDerWaalsContact CG-OG 3.26Å; D126-S153 WeakPolarHBondContact OD1-CB 3.17Å; D126-S153 PolarHBondContact OD1-OG 2.91Å; D126-K155 WeakPolarHBondContact OD2-CD 3.46Å; D126-A156 HydrophobicContact CB-CB 4.39Å |
| 127 | L | 97.7 | Very high | 98.4 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 29% | 0.288 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -107.4 | 34.7 | 176 | -58.5 | 179.6 | 0 | 0 | 0 | 111.6 | C93 K124 T125 D129 K130 R131 | C93-L127 WeakPolarHBondContact SG-CB 3.4Å; C93-L127 PolarHBondContact SG-O 2.96Å; K124-L127 HydrophobicContact CB-CD1 4.32Å; K124-L127 HydrophobicContact CD-CD1 4.3Å; K124-L127 WeakPolarHBondContact O-CB 3.23Å; K124-L127 PolarHBondContact O-N 3.09Å; T125-L127 PolarHBondContact O-N 3.43Å; L127-D129 PolarHBondContact O-N 2.93Å; L127-D129 VanDerWaalsContact O-N 3.1Å; L127-K130 WeakPolarHBondContact O-CA 3.4Å; L127-K130 PolarHBondContact O-N 3.42Å; L127-R131 PolarHBondContact O-N 3.46Å |
| 128 | S | 96.9 | Very high | 98.5 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -50.4 | -36.1 | -178.4 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | T125 K130 R131 | T125-S128 PolarHBondContact O-N 2.81Å; S128-K130 PolarHBondContact O-N 3.09Å; S128-K130 VanDerWaalsContact O-N 3.15Å; S128-R131 WeakPolarHBondContact O-CB 3.45Å; S128-R131 PolarHBondContact O-N 2.85Å |
| 129 | D | 97.8 | Very high | 98.5 | Very high | 164 Ų | 164 | 56 Ų | 56 | 88% | 0.877 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -66.9 | -15.8 | 179.5 | -55.1 | -27.2 | 0 | 0 | 0 | 113.2 | L127 | L127-D129 PolarHBondContact O-N 2.93Å; L127-D129 VanDerWaalsContact O-N 3.1Å |
| 130 | K | 98 | Very high | 98.5 | Very high | 142 Ų | 142 | 61.6 Ų | 61.6 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -108.9 | 8.6 | 176.9 | -59.9 | -178.3 | -177.9 | 178.8 | 0 | 112.3 | C93 L127 S128 K132 | C93-K130 HydrophobicContact CB-CB 4.41Å; L127-K130 WeakPolarHBondContact O-CA 3.4Å; L127-K130 PolarHBondContact O-N 3.42Å; S128-K130 PolarHBondContact O-N 3.09Å; S128-K130 VanDerWaalsContact O-N 3.15Å; K130-K132 PolarHBondContact O-N 3.34Å |
| 131 | R | 98.6 | Very high | 98.5 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | trans | -56.7 | 131.4 | -179 | -179.5 | 179.7 | -76.5 | -89.7 | 12.6 | 110.3 | I92 L127 S128 V133 E151 | I92-R131 HydrophobicContact CB-CG 4.49Å; I92-R131 HydrophobicContact CD1-CB 4.25Å; I92-R131 HydrophobicContact CD1-CG 4.25Å; L127-R131 PolarHBondContact O-N 3.46Å; S128-R131 WeakPolarHBondContact O-CB 3.45Å; S128-R131 PolarHBondContact O-N 2.85Å; R131-V133 VanDerWaalsContact CD-O 3.23Å; R131-V133 WeakPolarHBondContact CD-O 3.5Å; R131-V133 WeakPolarHBondContact CG-O 3.27Å; R131-V133 PolarHBondContact NH1-O 3.49Å; R131-E151 IonicContact CZ-OE1 3.27Å; R131-E151 IonicContact CZ-OE2 2.77Å; R131-E151 IonicContact NH1-OE1 2.87Å; R131-E151 PolarHBondContact NH1-OE1 3.27Å; R131-E151 IonicContact NH1-OE2 2.71Å; R131-E151 IonicContact NH2-OE1 2.7Å; R131-E151 PolarHBondContact NH2-OE1 2.79Å; R131-E151 IonicContact NH2-OE2 3.45Å; R131-E151 PolarHBondContact NH2-OE2 3.03Å | ||
| 132 | K | 98.6 | Very high | 98.4 | Very high | 147 Ų | 147 | 62.7 Ų | 62.7 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | trans | -117.6 | -10.8 | 173.5 | -60.9 | -166.6 | -173.8 | 178 | 0 | 113.2 | I92 C93 A95 K130 | I92-K132 PolarHBondContact O-N 3.16Å; C93-K132 WeakPolarHBondContact O-CD 3.45Å; C93-K132 WeakPolarHBondContact O-CE 3.34Å; C93-K132 WeakPolarHBondContact O-CG 3.47Å; A95-K132 HydrophobicContact CB-CB 4.39Å; K130-K132 PolarHBondContact O-N 3.34Å | ||
| 133 | V | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.012 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -125.9 | 120.6 | 177.3 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | Y90 I92 A95 F98 R131 E137 | Y90-V133 HydrophobicContact CE2-CB 4.16Å; Y90-V133 HydrophobicContact CE2-CG1 3.86Å; I92-V133 PolarHBondContact O-N 3.02Å; A95-V133 HydrophobicContact CB-CG2 4.22Å; F98-V133 HydrophobicContact CB-CG1 4.33Å; F98-V133 HydrophobicContact CB-CG2 3.74Å; F98-V133 HydrophobicContact CD1-CG1 4.01Å; F98-V133 HydrophobicContact CD1-CG2 4.21Å; F98-V133 HydrophobicContact CD2-CG1 3.71Å; F98-V133 HydrophobicContact CE1-CG1 4.19Å; F98-V133 HydrophobicContact CE2-CG1 3.9Å; F98-V133 HydrophobicContact CG-CG1 3.75Å; F98-V133 HydrophobicContact CG-CG2 3.97Å; F98-V133 HydrophobicContact CZ-CG1 4.13Å; R131-V133 VanDerWaalsContact CD-O 3.23Å; R131-V133 WeakPolarHBondContact CD-O 3.5Å; R131-V133 WeakPolarHBondContact CG-O 3.27Å; R131-V133 PolarHBondContact NH1-O 3.49Å; V133-E137 VanDerWaalsContact CA-OE2 3.22Å; V133-E137 WeakPolarHBondContact CA-OE2 3.29Å; V133-E137 HydrophobicContact CG1-CB 3.97Å |
| 134 | T | 98.5 | Very high | 98.4 | Very high | 56 Ų | 56 | 78.9 Ų | 78.9 | 34% | 0.344 | 38% | 0.383 | S | S | . | . | trans | -73.5 | 161 | 179.5 | 86.5 | 0 | 0 | 0 | 0 | 111.6 | E136 E137 G138 | T134-E136 WeakPolarHBondContact CB-OE2 3.41Å; T134-E136 PolarHBondContact O-N 3.28Å; T134-E136 PolarHBondContact OG1-N 3.22Å; T134-E136 PolarHBondContact OG1-OE2 3.3Å; T134-E137 PolarHBondContact N-OE2 3.34Å; T134-E137 PolarHBondContact O-N 3.23Å; T134-E137 PolarHBondContact OG1-N 3.46Å; T134-E137 VanDerWaalsContact OG1-N 3.16Å; T134-G138 PolarHBondContact O-N 3.36Å | ||
| 135 | T | 98.5 | Very high | 98.4 | Very high | 41 Ų | 41 | 77.4 Ų | 77.4 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 175.5 | -54.6 | 0 | 0 | 0 | 0 | 110 | E137 G138 E139 F149 E151 | T135-E137 PolarHBondContact O-N 3.16Å; T135-G138 WeakPolarHBondContact O-CA 3.45Å; T135-G138 PolarHBondContact O-N 3.46Å; T135-G138 VanDerWaalsContact O-N 3.15Å; T135-E139 WeakPolarHBondContact O-CG 3.48Å; T135-E139 PolarHBondContact O-N 3.25Å; T135-F149 HydrophobicContact CG2-CE1 4.04Å; T135-E151 HydrophobicContact CG2-CG 4.35Å; T135-E151 PolarHBondContact OG1-OE1 3.1Å; T135-E151 PolarHBondContact OG1-OE2 3.15Å |
| 136 | E | 98.6 | Very high | 98.3 | Very high | 115 Ų | 115 | 84.3 Ų | 84.3 | 54% | 0.537 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 176.9 | -57.2 | 75.1 | -165.4 | 0 | 0 | 111.9 | T134 G138 E139 L140 | T134-E136 WeakPolarHBondContact CB-OE2 3.41Å; T134-E136 PolarHBondContact O-N 3.28Å; T134-E136 PolarHBondContact OG1-N 3.22Å; T134-E136 PolarHBondContact OG1-OE2 3.3Å; E136-G138 VanDerWaalsContact C-N 3.32Å; E136-G138 PolarHBondContact O-N 2.76Å; E136-E139 PolarHBondContact O-N 3.15Å; E136-L140 VanDerWaalsContact O-CB 3.28Å; E136-L140 WeakPolarHBondContact O-CB 3.16Å; E136-L140 WeakPolarHBondContact O-CG 3.31Å; E136-L140 PolarHBondContact O-N 3.45Å |
| 137 | E | 98.7 | Very high | 98.3 | Very high | 86 Ų | 86 | 82.6 Ų | 82.6 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 174 | -70.7 | 176.9 | 130.9 | 0 | 0 | 111.4 | F98 V133 T134 T135 L141 | F98-E137 HydrophobicContact CE1-CB 4.49Å; F98-E137 HydrophobicContact CZ-CB 4.09Å; F98-E137 WeakPolarHBondContact CZ-O 3.4Å; V133-E137 VanDerWaalsContact CA-OE2 3.22Å; V133-E137 WeakPolarHBondContact CA-OE2 3.29Å; V133-E137 HydrophobicContact CG1-CB 3.97Å; T134-E137 PolarHBondContact N-OE2 3.34Å; T134-E137 PolarHBondContact O-N 3.23Å; T134-E137 PolarHBondContact OG1-N 3.46Å; T134-E137 VanDerWaalsContact OG1-N 3.16Å; T135-E137 PolarHBondContact O-N 3.16Å; E137-L141 WeakPolarHBondContact O-CB 3.48Å; E137-L141 PolarHBondContact O-N 2.89Å |
| 138 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T134 T135 E136 L141 A142 | T134-G138 PolarHBondContact O-N 3.36Å; T135-G138 WeakPolarHBondContact O-CA 3.45Å; T135-G138 PolarHBondContact O-N 3.46Å; T135-G138 VanDerWaalsContact O-N 3.15Å; E136-G138 VanDerWaalsContact C-N 3.32Å; E136-G138 PolarHBondContact O-N 2.76Å; G138-L141 PolarHBondContact O-N 2.75Å; G138-A142 WeakPolarHBondContact O-CB 3.4Å; G138-A142 PolarHBondContact O-N 3.22Å |
| 139 | E | 98.7 | Very high | 98.4 | Very high | 103 Ų | 103 | 81.2 Ų | 81.2 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 177.9 | -71.8 | 176.7 | 173.9 | 0 | 0 | 112.4 | T135 E136 L141 A142 K143 F149 | T135-E139 WeakPolarHBondContact O-CG 3.48Å; T135-E139 PolarHBondContact O-N 3.25Å; E136-E139 PolarHBondContact O-N 3.15Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.44Å; E139-A142 PolarHBondContact O-N 3.39Å; E139-K143 WeakPolarHBondContact O-CB 3.22Å; E139-K143 PolarHBondContact O-N 2.93Å; E139-F149 HydrophobicContact CB-CD1 4.4Å; E139-F149 HydrophobicContact CG-CD1 3.46Å; E139-F149 VanDerWaalsContact CG-CD1 3.46Å; E139-F149 HydrophobicContact CG-CE1 3.54Å; E139-F149 HydrophobicContact CG-CG 4.46Å |
| 140 | L | 98.7 | Very high | 98.5 | Very high | 119 Ų | 119 | 73.8 Ų | 73.8 | 62% | 0.623 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 176.9 | -75.3 | 172.4 | 0 | 0 | 0 | 111.2 | E136 K144 | E136-L140 VanDerWaalsContact O-CB 3.28Å; E136-L140 WeakPolarHBondContact O-CB 3.16Å; E136-L140 WeakPolarHBondContact O-CG 3.31Å; E136-L140 PolarHBondContact O-N 3.45Å; L140-K144 VanDerWaalsContact O-CB 3.32Å; L140-K144 WeakPolarHBondContact O-CB 3.47Å; L140-K144 PolarHBondContact O-N 2.9Å |
| 141 | L | 98.7 | Very high | 98.5 | Very high | 20 Ų | 20 | 68 Ų | 68 | 11% | 0.105 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 176.2 | -178.2 | 60.8 | 0 | 0 | 0 | 111.2 | F98 A101 L120 E137 G138 E139 K143 K144 L145 | F98-L141 HydrophobicContact CD2-CD2 3.98Å; F98-L141 HydrophobicContact CE1-CD2 4.39Å; F98-L141 HydrophobicContact CE2-CB 3.93Å; F98-L141 HydrophobicContact CE2-CD2 3.37Å; F98-L141 HydrophobicContact CE2-CG 4.28Å; F98-L141 HydrophobicContact CZ-CB 3.81Å; F98-L141 HydrophobicContact CZ-CD2 3.63Å; F98-L141 HydrophobicContact CZ-CG 4.31Å; A101-L141 HydrophobicContact CB-CD2 4.44Å; L120-L141 HydrophobicContact CD2-CB 4.28Å; L120-L141 HydrophobicContact CD2-CD2 3.98Å; L120-L141 HydrophobicContact CD2-CG 4.14Å; E137-L141 WeakPolarHBondContact O-CB 3.48Å; E137-L141 PolarHBondContact O-N 2.89Å; G138-L141 PolarHBondContact O-N 2.75Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.44Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 2.9Å; L141-K144 PolarHBondContact O-N 2.56Å; L141-L145 HydrophobicContact CD1-CD1 3.75Å; L141-L145 HydrophobicContact CD1-CG 3.94Å; L141-L145 HydrophobicContact CD2-CD1 4.33Å; L141-L145 HydrophobicContact CG-CD1 3.75Å; L141-L145 HydrophobicContact CG-CG 4.3Å; L141-L145 WeakPolarHBondContact O-CB 3.44Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 2.98Å |
| 142 | A | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -40.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L120 G138 E139 L145 E146 V147 F149 | L120-A142 HydrophobicContact CB-CB 4.47Å; L120-A142 HydrophobicContact CD2-CB 4.18Å; G138-A142 WeakPolarHBondContact O-CB 3.4Å; G138-A142 PolarHBondContact O-N 3.22Å; E139-A142 PolarHBondContact O-N 3.39Å; A142-L145 CarbonylContact O-C 3.54Å; A142-L145 PolarHBondContact O-N 3.28Å; A142-E146 PolarHBondContact O-N 3.05Å; A142-V147 HydrophobicContact CB-CG2 4.01Å; A142-V147 PolarHBondContact O-N 3.34Å; A142-F149 HydrophobicContact CB-CB 3.58Å; A142-F149 HydrophobicContact CB-CD2 4.29Å; A142-F149 HydrophobicContact CB-CG 4.17Å |
| 143 | K | 98.6 | Very high | 98.5 | Very high | 171 Ų | 171 | 57.6 Ų | 57.6 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.6 | -46.4 | 173.5 | -175.6 | 179.6 | -179.2 | 179.5 | 0 | 111.6 | E139 L141 L145 E146 | E139-K143 WeakPolarHBondContact O-CB 3.22Å; E139-K143 PolarHBondContact O-N 2.93Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 2.9Å; K143-L145 VanDerWaalsContact C-N 3.27Å; K143-L145 PolarHBondContact O-N 2.89Å; K143-E146 PolarHBondContact O-N 3.14Å; K143-E146 VanDerWaalsContact O-N 3.13Å |
| 144 | K | 98.4 | Very high | 98.5 | Very high | 171 Ų | 171 | 57.6 Ų | 57.6 | 74% | 0.743 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60.3 | -38.8 | 176.5 | 178.3 | -175.1 | 175.5 | -174.8 | 0 | 111.8 | L140 L141 E146 | L140-K144 VanDerWaalsContact O-CB 3.32Å; L140-K144 WeakPolarHBondContact O-CB 3.47Å; L140-K144 PolarHBondContact O-N 2.9Å; L141-K144 PolarHBondContact O-N 2.56Å; K144-E146 VanDerWaalsContact C-N 3.32Å |
| 145 | L | 97.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -84.9 | -4.2 | 178.9 | -64.9 | 175.5 | 0 | 0 | 0 | 112.5 | V105 R109 L141 A142 K143 V147 | V105-L145 HydrophobicContact CB-CD1 4.27Å; V105-L145 HydrophobicContact CG1-CD1 4.43Å; V105-L145 HydrophobicContact CG2-CD1 4.01Å; R109-L145 PolarHBondContact NH1-O 2.83Å; R109-L145 PolarHBondContact NH2-O 3.48Å; L141-L145 HydrophobicContact CD1-CD1 3.75Å; L141-L145 HydrophobicContact CD1-CG 3.94Å; L141-L145 HydrophobicContact CD2-CD1 4.33Å; L141-L145 HydrophobicContact CG-CD1 3.75Å; L141-L145 HydrophobicContact CG-CG 4.3Å; L141-L145 WeakPolarHBondContact O-CB 3.44Å; L141-L145 VanDerWaalsContact O-CG 3.31Å; L141-L145 WeakPolarHBondContact O-CG 3.47Å; L141-L145 PolarHBondContact O-N 2.98Å; A142-L145 CarbonylContact O-C 3.54Å; A142-L145 PolarHBondContact O-N 3.28Å; K143-L145 VanDerWaalsContact C-N 3.27Å; K143-L145 PolarHBondContact O-N 2.89Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 HydrophobicContact CB-CG1 4.19Å; L145-V147 HydrophobicContact CB-CG2 4.03Å; L145-V147 WeakPolarHBondContact O-CG1 3.3Å; L145-V147 PolarHBondContact O-N 3.3Å |
| 146 | E | 97.4 | Very high | 98.5 | Very high | 169 Ų | 169 | 61.2 Ų | 61.2 | 79% | 0.79 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 45.3 | -176.1 | -56.8 | 179.2 | 167 | 0 | 0 | 113 | A142 K143 K144 | A142-E146 PolarHBondContact O-N 3.05Å; K143-E146 PolarHBondContact O-N 3.14Å; K143-E146 VanDerWaalsContact O-N 3.13Å; K144-E146 VanDerWaalsContact C-N 3.32Å |
| 147 | V | 98.2 | Very high | 98.4 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | trans | -123.8 | 160.6 | 178.8 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | V105 I118 L120 A142 L145 | V105-V147 HydrophobicContact CG1-CG1 4.17Å; I118-V147 HydrophobicContact CB-CB 4.13Å; I118-V147 HydrophobicContact CB-CG1 3.64Å; I118-V147 HydrophobicContact CD1-CG1 4.41Å; I118-V147 HydrophobicContact CG2-CB 4.17Å; I118-V147 HydrophobicContact CG2-CG1 3.73Å; I118-V147 WeakPolarHBondContact O-CB 3.48Å; L120-V147 HydrophobicContact CB-CG2 4.04Å; A142-V147 HydrophobicContact CB-CG2 4.01Å; A142-V147 PolarHBondContact O-N 3.34Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 HydrophobicContact CB-CG1 4.19Å; L145-V147 HydrophobicContact CB-CG2 4.03Å; L145-V147 WeakPolarHBondContact O-CG1 3.3Å; L145-V147 PolarHBondContact O-N 3.3Å | ||
| 148 | M | 98.5 | Very high | 98.4 | Very high | 55 Ų | 55 | 59.1 Ų | 59.1 | 27% | 0.271 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 157.5 | 173 | -68.8 | -172 | -65.5 | 0 | 0 | 111.2 | I117 I118 I119 L120 | I117-M148 HydrophobicContact CG2-CE 3.19Å; I118-M148 PolarHBondContact O-N 2.82Å; I119-M148 WeakPolarHBondContact CA-O 3.3Å; I119-M148 HydrophobicContact CB-CB 4.02Å; I119-M148 HydrophobicContact CB-CE 4.17Å; I119-M148 HydrophobicContact CD1-CB 3.9Å; I119-M148 HydrophobicContact CD1-CE 4.28Å; I119-M148 HydrophobicContact CG1-CB 3.86Å; L120-M148 PolarHBondContact N-O 3.14Å |
| 149 | F | 98.7 | Very high | 98.4 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 15% | 0.149 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 143.6 | 176.7 | -178.1 | -114 | 0 | 0 | 0 | 112.5 | Y90 L120 T135 E139 A142 E151 | Y90-F149 HydrophobicContact CE1-CE2 4.2Å; Y90-F149 WeakPolarHBondContact OH-CE2 3.4Å; L120-F149 HydrophobicContact CB-CD2 4.24Å; L120-F149 HydrophobicContact CD2-CD2 4.19Å; L120-F149 HydrophobicContact CG-CD2 4.2Å; L120-F149 WeakPolarHBondContact O-CA 3.49Å; L120-F149 WeakPolarHBondContact O-CD2 3.19Å; T135-F149 HydrophobicContact CG2-CE1 4.04Å; E139-F149 HydrophobicContact CB-CD1 4.4Å; E139-F149 HydrophobicContact CG-CD1 3.46Å; E139-F149 VanDerWaalsContact CG-CD1 3.46Å; E139-F149 HydrophobicContact CG-CE1 3.54Å; E139-F149 HydrophobicContact CG-CG 4.46Å; A142-F149 HydrophobicContact CB-CB 3.58Å; A142-F149 HydrophobicContact CB-CD2 4.29Å; A142-F149 HydrophobicContact CB-CG 4.17Å; F149-E151 HydrophobicContact CE1-CG 4.01Å; F149-E151 HydrophobicContact CE2-CG 4.42Å; F149-E151 HydrophobicContact CZ-CG 3.56Å |
| 150 | I | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 145.5 | 166.3 | -167.6 | 168.7 | 0 | 0 | 0 | 110.5 | I119 L120 V121 G122 T152 N159 V162 L163 | I119-I150 HydrophobicContact CD1-CB 4.49Å; I119-I150 HydrophobicContact CD1-CG2 3.81Å; I119-I150 HydrophobicContact CG1-CG2 4.28Å; L120-I150 PolarHBondContact O-N 3.16Å; L120-I150 VanDerWaalsContact O-N 3.15Å; V121-I150 VanDerWaalsContact CA-O 3.3Å; V121-I150 WeakPolarHBondContact CA-O 3.13Å; V121-I150 HydrophobicContact CG1-CG2 4.5Å; V121-I150 HydrophobicContact CG2-CG2 4.09Å; G122-I150 PolarHBondContact N-O 3.42Å; G122-I150 VanDerWaalsContact N-O 3.09Å; I150-T152 HydrophobicContact CG2-CG2 4.31Å; I150-N159 HydrophobicContact CD1-CB 3.89Å; I150-N159 HydrophobicContact CG1-CB 4.19Å; I150-V162 HydrophobicContact CD1-CB 4.15Å; I150-V162 HydrophobicContact CD1-CG1 3.8Å; I150-L163 HydrophobicContact CD1-CB 4.4Å; I150-L163 HydrophobicContact CG2-CB 4.25Å; I150-L163 HydrophobicContact CG2-CD1 3.74Å; I150-L163 HydrophobicContact CG2-CG 4.48Å |
| 151 | E | 98.8 | Very high | 98.4 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.9 | 166.2 | -64.6 | -163.2 | 145.6 | 0 | 0 | 111.8 | G122 T125 R131 T135 F149 N159 | G122-E151 CarbonylContact O-C 3.59Å; G122-E151 WeakPolarHBondContact O-CA 3.34Å; G122-E151 WeakPolarHBondContact O-CB 3.34Å; T125-E151 HydrophobicContact CG2-CB 3.7Å; T125-E151 HydrophobicContact CG2-CG 4.46Å; R131-E151 IonicContact CZ-OE1 3.27Å; R131-E151 IonicContact CZ-OE2 2.77Å; R131-E151 IonicContact NH1-OE1 2.87Å; R131-E151 PolarHBondContact NH1-OE1 3.27Å; R131-E151 IonicContact NH1-OE2 2.71Å; R131-E151 IonicContact NH2-OE1 2.7Å; R131-E151 PolarHBondContact NH2-OE1 2.79Å; R131-E151 IonicContact NH2-OE2 3.45Å; R131-E151 PolarHBondContact NH2-OE2 3.03Å; T135-E151 HydrophobicContact CG2-CG 4.35Å; T135-E151 PolarHBondContact OG1-OE1 3.1Å; T135-E151 PolarHBondContact OG1-OE2 3.15Å; F149-E151 HydrophobicContact CE1-CG 4.01Å; F149-E151 HydrophobicContact CE2-CG 4.42Å; F149-E151 HydrophobicContact CZ-CG 3.56Å; E151-N159 WeakPolarHBondContact O-CB 3.11Å; E151-N159 PolarHBondContact O-ND2 3.33Å |
| 152 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158.6 | -176.3 | 60.4 | 0 | 0 | 0 | 0 | 112.2 | L26 V121 G122 N123 K124 T125 I150 Y158 N159 L163 | L26-T152 HydrophobicContact CD2-CG2 4.44Å; L26-T152 WeakPolarHBondContact CD2-OG1 3.36Å; V121-T152 HydrophobicContact CG1-CG2 3.85Å; V121-T152 VanDerWaalsContact CG1-OG1 3.31Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.45Å; G122-T152 PolarHBondContact O-N 2.82Å; N123-T152 CarbonylContact C-O 3.49Å; N123-T152 VanDerWaalsContact CA-O 3.3Å; N123-T152 WeakPolarHBondContact CA-O 3.47Å; N123-T152 PolarHBondContact OD1-O 2.94Å; N123-T152 PolarHBondContact OD1-OG1 2.71Å; N123-T152 VanDerWaalsContact OD1-OG1 3.08Å; K124-T152 PolarHBondContact N-O 3.28Å; T125-T152 PolarHBondContact N-O 2.71Å; T125-T152 PolarHBondContact OG1-O 3.38Å; I150-T152 HydrophobicContact CG2-CG2 4.31Å; T152-Y158 WeakPolarHBondContact CA-O 3.23Å; T152-N159 HydrophobicContact CG2-CB 4.01Å; T152-L163 HydrophobicContact CG2-CB 4.33Å; T152-L163 HydrophobicContact CG2-CD2 4.19Å |
| 153 | S | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -126.5 | 111.7 | 157.6 | 170.5 | 0 | 0 | 0 | 0 | 109.4 | T125 D126 K155 A156 G157 Y158 | T125-S153 WeakPolarHBondContact OG1-CB 3.01Å; D126-S153 WeakPolarHBondContact CB-OG 3.22Å; D126-S153 VanDerWaalsContact CG-OG 3.26Å; D126-S153 WeakPolarHBondContact OD1-CB 3.17Å; D126-S153 PolarHBondContact OD1-OG 2.91Å; S153-K155 PolarHBondContact O-N 3.26Å; S153-K155 PolarHBondContact OG-N 3.09Å; S153-A156 WeakPolarHBondContact OG-CB 3.41Å; S153-A156 PolarHBondContact OG-N 2.82Å; S153-G157 CarbonylContact O-C 3.4Å; S153-G157 VanDerWaalsContact O-CA 3.26Å; S153-G157 WeakPolarHBondContact O-CA 3.21Å; S153-G157 PolarHBondContact O-N 3.23Å; S153-Y158 PolarHBondContact N-O 2.95Å; S153-Y158 PolarHBondContact O-N 3Å; S153-Y158 VanDerWaalsContact O-N 3.12Å | ||
| 154 | A | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -37.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L26 R29 F35 N123 | L26-A154 HydrophobicContact CD2-CB 3.91Å; L26-A154 HydrophobicContact CG-CB 4.14Å; R29-A154 PolarHBondContact NE-O 2.87Å; F35-A154 HydrophobicContact CD2-CB 4.25Å; F35-A154 HydrophobicContact CE2-CB 4.29Å; N123-A154 PolarHBondContact OD1-N 2.99Å |
| 155 | K | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 49.7 Ų | 49.7 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -51.6 | -179.6 | -171.5 | -177 | -173.5 | -178.5 | 0 | 111.7 | R29 F35 D126 S153 G157 | R29-K155 PolarHBondContact NH2-O 3.08Å; F35-K155 HydrophobicContact CD1-CB 4.3Å; F35-K155 HydrophobicContact CD1-CG 3.89Å; F35-K155 HydrophobicContact CD2-CB 4.14Å; F35-K155 HydrophobicContact CE1-CB 4.1Å; F35-K155 HydrophobicContact CE1-CD 4.25Å; F35-K155 HydrophobicContact CE1-CG 3.76Å; F35-K155 HydrophobicContact CE2-CB 3.93Å; F35-K155 HydrophobicContact CE2-CG 4.49Å; F35-K155 HydrophobicContact CG-CB 4.32Å; F35-K155 HydrophobicContact CG-CG 4.32Å; F35-K155 HydrophobicContact CZ-CB 3.91Å; F35-K155 HydrophobicContact CZ-CG 4.08Å; D126-K155 WeakPolarHBondContact OD2-CD 3.46Å; S153-K155 PolarHBondContact O-N 3.26Å; S153-K155 PolarHBondContact OG-N 3.09Å; K155-G157 VanDerWaalsContact C-N 3.33Å |
| 156 | A | 97.6 | Very high | 98.2 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 61% | 0.612 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D126 S153 Y158 | D126-A156 HydrophobicContact CB-CB 4.39Å; S153-A156 WeakPolarHBondContact OG-CB 3.41Å; S153-A156 PolarHBondContact OG-N 2.82Å; A156-Y158 PolarHBondContact O-N 2.99Å |
| 157 | G | 98 | Very high | 98.2 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | trans | 76.2 | 2.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S153 K155 N159 V160 | S153-G157 CarbonylContact O-C 3.4Å; S153-G157 VanDerWaalsContact O-CA 3.26Å; S153-G157 WeakPolarHBondContact O-CA 3.21Å; S153-G157 PolarHBondContact O-N 3.23Å; K155-G157 VanDerWaalsContact C-N 3.33Å; G157-N159 PolarHBondContact O-N 3.47Å; G157-V160 PolarHBondContact O-N 2.83Å | ||
| 158 | Y | 98.6 | Very high | 98.1 | Very high | 127 Ų | 127 | 46.1 Ų | 46.1 | 50% | 0.498 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 128.7 | -178.2 | 177.8 | -104.3 | 0 | 0 | 0 | 111.4 | T152 S153 A156 V160 | T152-Y158 WeakPolarHBondContact CA-O 3.23Å; S153-Y158 PolarHBondContact N-O 2.95Å; S153-Y158 PolarHBondContact O-N 3Å; S153-Y158 VanDerWaalsContact O-N 3.12Å; A156-Y158 PolarHBondContact O-N 2.99Å; Y158-V160 PolarHBondContact O-N 3.06Å |
| 159 | N | 98.6 | Very high | 97.9 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 20% | 0.203 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 4.3 | 179.7 | -79 | -11.8 | 0 | 0 | 0 | 117.2 | I150 E151 T152 G157 V162 L163 | I150-N159 HydrophobicContact CD1-CB 3.89Å; I150-N159 HydrophobicContact CG1-CB 4.19Å; E151-N159 WeakPolarHBondContact O-CB 3.11Å; E151-N159 PolarHBondContact O-ND2 3.33Å; T152-N159 HydrophobicContact CG2-CB 4.01Å; G157-N159 PolarHBondContact O-N 3.47Å; N159-V162 HydrophobicContact CB-CB 4.48Å; N159-V162 PolarHBondContact O-N 3.03Å; N159-L163 WeakPolarHBondContact O-CB 3.46Å; N159-L163 PolarHBondContact O-N 2.98Å |
| 160 | V | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -51.7 | -179.4 | -180 | 0 | 0 | 0 | 0 | 110.7 | L26 R29 F30 G157 Y158 V162 L163 F164 | L26-V160 HydrophobicContact CD2-CG2 3.82Å; R29-V160 HydrophobicContact CB-CG1 4.34Å; R29-V160 HydrophobicContact CG-CB 4.16Å; R29-V160 HydrophobicContact CG-CG1 4.01Å; R29-V160 HydrophobicContact CG-CG2 3.93Å; F30-V160 HydrophobicContact CB-CG1 3.87Å; G157-V160 PolarHBondContact O-N 2.83Å; Y158-V160 PolarHBondContact O-N 3.06Å; V160-V162 PolarHBondContact O-N 2.85Å; V160-L163 WeakPolarHBondContact O-CB 3.3Å; V160-L163 PolarHBondContact O-N 3.31Å; V160-F164 HydrophobicContact CG1-CD2 4.19Å; V160-F164 HydrophobicContact CG1-CE2 4.02Å; V160-F164 VanDerWaalsContact O-CD2 3.3Å; V160-F164 WeakPolarHBondContact O-CD2 3.2Å; V160-F164 PolarHBondContact O-N 3.01Å |
| 161 | K | 97.5 | Very high | 97.5 | Very high | 131 Ų | 131 | 47.9 Ų | 47.9 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.1 | -34.6 | 176.5 | -68.3 | -177.5 | 179.1 | 178.8 | 0 | 112.4 | E33 R165 | E33-K161 WeakPolarHBondContact OE1-CE 3.43Å; E33-K161 IonicContact OE1-NZ 3.41Å; E33-K161 PolarHBondContact OE1-NZ 2.8Å; K161-R165 WeakPolarHBondContact O-CB 3.23Å; K161-R165 PolarHBondContact O-N 3.46Å |
| 162 | V | 98.3 | Very high | 97.2 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.3 | -45.2 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | I150 N159 V160 F164 R165 R166 | I150-V162 HydrophobicContact CD1-CB 4.15Å; I150-V162 HydrophobicContact CD1-CG1 3.8Å; N159-V162 HydrophobicContact CB-CB 4.48Å; N159-V162 PolarHBondContact O-N 3.03Å; V160-V162 PolarHBondContact O-N 2.85Å; V162-F164 PolarHBondContact O-N 2.95Å; V162-R165 PolarHBondContact O-N 2.8Å; V162-R166 HydrophobicContact CG1-CG 4.31Å; V162-R166 WeakPolarHBondContact O-CB 3.29Å; V162-R166 WeakPolarHBondContact O-CG 3.3Å; V162-R166 PolarHBondContact O-N 3.03Å |
| 163 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.8 | -55.5 | 175.1 | 165.8 | 62.9 | 0 | 0 | 0 | 111.3 | V87 I119 V121 I150 T152 N159 V160 R165 R166 I167 | V87-L163 HydrophobicContact CG1-CD2 4.46Å; I119-L163 HydrophobicContact CD1-CD1 3.61Å; I119-L163 HydrophobicContact CG1-CD1 4.17Å; I119-L163 HydrophobicContact CG2-CD1 4.06Å; V121-L163 HydrophobicContact CG1-CD2 4.33Å; V121-L163 HydrophobicContact CG2-CD1 3.78Å; V121-L163 HydrophobicContact CG2-CD2 4.08Å; I150-L163 HydrophobicContact CD1-CB 4.4Å; I150-L163 HydrophobicContact CG2-CB 4.25Å; I150-L163 HydrophobicContact CG2-CD1 3.74Å; I150-L163 HydrophobicContact CG2-CG 4.48Å; T152-L163 HydrophobicContact CG2-CB 4.33Å; T152-L163 HydrophobicContact CG2-CD2 4.19Å; N159-L163 WeakPolarHBondContact O-CB 3.46Å; N159-L163 PolarHBondContact O-N 2.98Å; V160-L163 WeakPolarHBondContact O-CB 3.3Å; V160-L163 PolarHBondContact O-N 3.31Å; L163-R165 PolarHBondContact O-N 3.22Å; L163-R166 PolarHBondContact O-N 2.77Å; L163-I167 HydrophobicContact CD1-CD1 3.71Å; L163-I167 HydrophobicContact CD1-CG1 4.31Å; L163-I167 HydrophobicContact CG-CD1 4.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.23Å; L163-I167 VanDerWaalsContact O-N 3.11Å |
| 164 | F | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.1 | -36.4 | -177.8 | -75.3 | -88.4 | 0 | 0 | 0 | 112.6 | L13 F15 F30 M52 L61 L63 V160 V162 A168 | L13-F164 HydrophobicContact CD2-CD1 4.24Å; L13-F164 HydrophobicContact CD2-CE1 4.32Å; F15-F164 HydrophobicContact CE1-CZ 4.02Å; F15-F164 HydrophobicContact CE2-CE1 4.22Å; F15-F164 HydrophobicContact CE2-CZ 4.36Å; F15-F164 AromaticContact CZ-CE1 3.56Å; F15-F164 HydrophobicContact CZ-CE1 3.56Å; F15-F164 HydrophobicContact CZ-CE2 4.45Å; F15-F164 AromaticContact CZ-CZ 3.41Å; F15-F164 HydrophobicContact CZ-CZ 3.41Å; F15-F164 VanDerWaalsContact CZ-CZ 3.41Å; F30-F164 HydrophobicContact CB-CD2 3.68Å; F30-F164 HydrophobicContact CB-CE1 4.45Å; F30-F164 HydrophobicContact CB-CE2 3.29Å; F30-F164 HydrophobicContact CB-CG 4.43Å; F30-F164 HydrophobicContact CB-CZ 3.71Å; F30-F164 AromaticContact CD1-CD1 3.69Å; F30-F164 HydrophobicContact CD1-CD1 3.69Å; F30-F164 AromaticContact CD1-CD2 3.98Å; F30-F164 HydrophobicContact CD1-CD2 3.98Å; F30-F164 AromaticContact CD1-CE1 3.55Å; F30-F164 HydrophobicContact CD1-CE1 3.55Å; F30-F164 AromaticContact CD1-CE2 3.91Å; F30-F164 HydrophobicContact CD1-CE2 3.91Å; F30-F164 AromaticContact CD1-CG 3.88Å; F30-F164 HydrophobicContact CD1-CG 3.88Å; F30-F164 AromaticContact CD1-CZ 3.67Å; F30-F164 HydrophobicContact CD1-CZ 3.67Å; F30-F164 HydrophobicContact CD2-CB 3.86Å; F30-F164 HydrophobicContact CD2-CD1 4.23Å; F30-F164 AromaticContact CD2-CD2 3.42Å; F30-F164 HydrophobicContact CD2-CD2 3.42Å; F30-F164 VanDerWaalsContact CD2-CD2 3.42Å; F30-F164 AromaticContact CD2-CE2 3.98Å; F30-F164 HydrophobicContact CD2-CE2 3.98Å; F30-F164 AromaticContact CD2-CG 3.57Å; F30-F164 HydrophobicContact CD2-CG 3.57Å; F30-F164 HydrophobicContact CE1-CB 4.49Å; F30-F164 AromaticContact CE1-CD1 3.67Å; F30-F164 HydrophobicContact CE1-CD1 3.67Å; F30-F164 AromaticContact CE1-CE1 3.92Å; F30-F164 HydrophobicContact CE1-CE1 3.92Å; F30-F164 AromaticContact CE1-CG 3.98Å; F30-F164 HydrophobicContact CE1-CG 3.98Å; F30-F164 HydrophobicContact CE1-CZ 4.46Å; F30-F164 HydrophobicContact CE2-CB 3.57Å; F30-F164 HydrophobicContact CE2-CD1 4.23Å; F30-F164 HydrophobicContact CE2-CD2 4.04Å; F30-F164 AromaticContact CE2-CG 3.69Å; F30-F164 HydrophobicContact CE2-CG 3.69Å; F30-F164 HydrophobicContact CG-CB 4.45Å; F30-F164 AromaticContact CG-CD1 3.98Å; F30-F164 HydrophobicContact CG-CD1 3.98Å; F30-F164 AromaticContact CG-CD2 3.39Å; F30-F164 HydrophobicContact CG-CD2 3.39Å; F30-F164 AromaticContact CG-CE1 3.98Å; F30-F164 HydrophobicContact CG-CE1 3.98Å; F30-F164 AromaticContact CG-CE2 3.44Å; F30-F164 HydrophobicContact CG-CE2 3.44Å; F30-F164 VanDerWaalsContact CG-CE2 3.44Å; F30-F164 AromaticContact CG-CG 3.68Å; F30-F164 HydrophobicContact CG-CG 3.68Å; F30-F164 AromaticContact CG-CZ 3.72Å; F30-F164 HydrophobicContact CG-CZ 3.72Å; F30-F164 HydrophobicContact CZ-CB 3.93Å; F30-F164 AromaticContact CZ-CD1 3.96Å; F30-F164 HydrophobicContact CZ-CD1 3.96Å; F30-F164 AromaticContact CZ-CG 3.91Å; F30-F164 HydrophobicContact CZ-CG 3.91Å; M52-F164 HydrophobicContact CE-CB 4.49Å; M52-F164 HydrophobicContact SD-CB 4.32Å; L61-F164 HydrophobicContact CD1-CD1 4.01Å; L63-F164 HydrophobicContact CD1-CE1 4.02Å; L63-F164 HydrophobicContact CD1-CZ 4.49Å; L63-F164 HydrophobicContact CD2-CD1 4.47Å; L63-F164 HydrophobicContact CD2-CE1 3.83Å; V160-F164 HydrophobicContact CG1-CD2 4.19Å; V160-F164 HydrophobicContact CG1-CE2 4.02Å; V160-F164 VanDerWaalsContact O-CD2 3.3Å; V160-F164 WeakPolarHBondContact O-CD2 3.2Å; V160-F164 PolarHBondContact O-N 3.01Å; V162-F164 PolarHBondContact O-N 2.95Å; F164-A168 VanDerWaalsContact O-CB 3.23Å; F164-A168 WeakPolarHBondContact O-CB 3.45Å; F164-A168 PolarHBondContact O-N 2.9Å |
| 165 | R | 96.9 | Very high | 94.9 | Very high | 160 Ų | 160 | 61.4 Ų | 61.4 | 60% | 0.604 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64.6 | -44.2 | 175.1 | -174.4 | 175.7 | -72.1 | 174.7 | -5 | 111.6 | K161 V162 L163 A168 T169 | K161-R165 WeakPolarHBondContact O-CB 3.23Å; K161-R165 PolarHBondContact O-N 3.46Å; V162-R165 PolarHBondContact O-N 2.8Å; L163-R165 PolarHBondContact O-N 3.22Å; R165-A168 PolarHBondContact O-N 3.39Å; R165-T169 PolarHBondContact O-N 2.74Å; R165-T169 PolarHBondContact O-OG1 2.72Å; R165-T169 VanDerWaalsContact O-OG1 3.11Å |
| 166 | R | 96.9 | Very high | 93.2 | Very high | 129 Ų | 129 | 58.4 Ų | 58.4 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 177 | -76.1 | -178.2 | 179.2 | -168.3 | -0.4 | 112 | V162 L163 A168 T169 E170 | V162-R166 HydrophobicContact CG1-CG 4.31Å; V162-R166 WeakPolarHBondContact O-CB 3.29Å; V162-R166 WeakPolarHBondContact O-CG 3.3Å; V162-R166 PolarHBondContact O-N 3.03Å; L163-R166 PolarHBondContact O-N 2.77Å; R166-A168 VanDerWaalsContact C-N 3.34Å; R166-A168 PolarHBondContact O-N 3.36Å; R166-T169 PolarHBondContact O-N 2.94Å; R166-E170 WeakPolarHBondContact O-CB 3.38Å; R166-E170 PolarHBondContact O-N 3.34Å |
| 167 | I | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 176.7 | -63.1 | 162.5 | 0 | 0 | 0 | 110.6 | L13 A85 V87 I119 L163 E170 L171 | L13-I167 HydrophobicContact CD1-CG2 4.28Å; L13-I167 HydrophobicContact CD2-CD1 4.11Å; L13-I167 HydrophobicContact CD2-CG2 3.89Å; L13-I167 HydrophobicContact CG-CG2 4.12Å; A85-I167 HydrophobicContact CB-CG2 3.73Å; V87-I167 HydrophobicContact CG2-CD1 3.65Å; I119-I167 HydrophobicContact CG2-CD1 3.9Å; I119-I167 HydrophobicContact CG2-CG1 4.05Å; L163-I167 HydrophobicContact CD1-CD1 3.71Å; L163-I167 HydrophobicContact CD1-CG1 4.31Å; L163-I167 HydrophobicContact CG-CD1 4.17Å; L163-I167 WeakPolarHBondContact O-CG1 3.46Å; L163-I167 PolarHBondContact O-N 3.23Å; L163-I167 VanDerWaalsContact O-N 3.11Å; I167-E170 PolarHBondContact O-N 3.27Å; I167-L171 HydrophobicContact CG2-CD1 3.58Å; I167-L171 HydrophobicContact CG2-CG 4.22Å; I167-L171 WeakPolarHBondContact O-CB 3.4Å; I167-L171 WeakPolarHBondContact O-CD1 3.37Å; I167-L171 VanDerWaalsContact O-CG 3.23Å; I167-L171 WeakPolarHBondContact O-CG 3.4Å; I167-L171 PolarHBondContact O-N 3.32Å |
| 168 | A | 96.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M52 L54 I59 F164 R165 R166 V172 | M52-A168 HydrophobicContact CE-CB 4.02Å; M52-A168 HydrophobicContact SD-CB 4.34Å; L54-A168 HydrophobicContact CD1-CB 4.28Å; L54-A168 HydrophobicContact CD2-CB 4.06Å; I59-A168 HydrophobicContact CD1-CB 3.61Å; F164-A168 VanDerWaalsContact O-CB 3.23Å; F164-A168 WeakPolarHBondContact O-CB 3.45Å; F164-A168 PolarHBondContact O-N 2.9Å; R165-A168 PolarHBondContact O-N 3.39Å; R166-A168 VanDerWaalsContact C-N 3.34Å; R166-A168 PolarHBondContact O-N 3.36Å; A168-V172 VanDerWaalsContact O-CB 3.31Å; A168-V172 WeakPolarHBondContact O-CB 3.26Å; A168-V172 VanDerWaalsContact O-CG2 3.29Å; A168-V172 WeakPolarHBondContact O-CG2 3.08Å; A168-V172 PolarHBondContact O-N 2.86Å; A168-V172 VanDerWaalsContact O-N 3.15Å |
| 169 | T | 94.4 | Very high | 86 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 36% | 0.362 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -49.5 | 176.3 | -62.7 | 0 | 0 | 0 | 0 | 111 | R165 R166 L171 V172 D173 | R165-T169 PolarHBondContact O-N 2.74Å; R165-T169 PolarHBondContact O-OG1 2.72Å; R165-T169 VanDerWaalsContact O-OG1 3.11Å; R166-T169 PolarHBondContact O-N 2.94Å; T169-L171 PolarHBondContact O-N 3.43Å; T169-V172 WeakPolarHBondContact O-CB 3.49Å; T169-V172 PolarHBondContact O-N 2.85Å; T169-V172 VanDerWaalsContact O-N 3.1Å; T169-D173 VanDerWaalsContact O-CG 3.32Å; T169-D173 PolarHBondContact O-N 2.84Å |
| 170 | E | 94.8 | Very high | 83.3 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 33% | 0.327 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | -179.7 | -173.9 | 61.8 | -147.8 | 0 | 0 | 112.2 | I117 R166 I167 V172 D173 Q174 | I117-E170 HydrophobicContact CD1-CB 3.89Å; I117-E170 HydrophobicContact CD1-CG 3.43Å; I117-E170 VanDerWaalsContact CD1-CG 3.43Å; I117-E170 HydrophobicContact CG1-CG 3.76Å; I117-E170 HydrophobicContact CG2-CG 4.26Å; R166-E170 WeakPolarHBondContact O-CB 3.38Å; R166-E170 PolarHBondContact O-N 3.34Å; I167-E170 PolarHBondContact O-N 3.27Å; E170-V172 PolarHBondContact O-N 2.7Å; E170-D173 PolarHBondContact O-N 2.76Å; E170-Q174 WeakPolarHBondContact O-CG 3.47Å; E170-Q174 PolarHBondContact O-N 2.9Å; E170-Q174 PolarHBondContact OE1-NE2 3.04Å |
| 171 | L | 94.3 | Very high | 80.6 | Confident | 5 Ų | 5 | 81.6 Ų | 81.6 | 3% | 0.026 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.8 | -35 | 176.7 | -79.5 | 167.4 | 0 | 0 | 0 | 113.3 | F11 L13 A85 I117 I167 T169 | F11-L171 HydrophobicContact CB-CD1 3.76Å; F11-L171 HydrophobicContact CD1-CB 3.92Å; F11-L171 HydrophobicContact CD1-CD1 4.05Å; F11-L171 HydrophobicContact CD1-CD2 3.73Å; F11-L171 HydrophobicContact CD1-CG 4.15Å; F11-L171 HydrophobicContact CD2-CB 4.4Å; F11-L171 HydrophobicContact CD2-CD1 4.42Å; F11-L171 HydrophobicContact CE1-CB 3.75Å; F11-L171 HydrophobicContact CE1-CD2 4.08Å; F11-L171 HydrophobicContact CE1-CG 4.42Å; F11-L171 HydrophobicContact CE2-CB 4.28Å; F11-L171 HydrophobicContact CG-CB 4.21Å; F11-L171 HydrophobicContact CG-CD1 3.85Å; F11-L171 HydrophobicContact CG-CD2 4.37Å; F11-L171 HydrophobicContact CG-CG 4.41Å; F11-L171 HydrophobicContact CZ-CB 3.94Å; F11-L171 WeakPolarHBondContact CZ-O 3.42Å; L13-L171 HydrophobicContact CD1-CD1 3.91Å; A85-L171 HydrophobicContact CB-CD1 4.3Å; A85-L171 HydrophobicContact CB-CD2 4.33Å; I117-L171 HydrophobicContact CD1-CB 4.21Å; I117-L171 HydrophobicContact CD1-CD2 3.55Å; I117-L171 HydrophobicContact CD1-CG 3.58Å; I167-L171 HydrophobicContact CG2-CD1 3.58Å; I167-L171 HydrophobicContact CG2-CG 4.22Å; I167-L171 WeakPolarHBondContact O-CB 3.4Å; I167-L171 WeakPolarHBondContact O-CD1 3.37Å; I167-L171 VanDerWaalsContact O-CG 3.23Å; I167-L171 WeakPolarHBondContact O-CG 3.4Å; I167-L171 PolarHBondContact O-N 3.32Å; T169-L171 PolarHBondContact O-N 3.43Å |
| 172 | V | 92.1 | Very high | 77.9 | Confident | 4 Ų | 4 | 81.6 Ų | 81.6 | 2% | 0.024 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -76 | -44.5 | -179.2 | 152.8 | 0 | 0 | 0 | 0 | 110.6 | F11 L54 R57 I59 A168 T169 E170 Q174 K175 S176 | F11-V172 HydrophobicContact CE2-CG2 3.96Å; F11-V172 HydrophobicContact CZ-CG2 4.21Å; L54-V172 HydrophobicContact CD1-CB 4.41Å; L54-V172 HydrophobicContact CD1-CG2 3.79Å; R57-V172 VanDerWaalsContact NH1-CG1 3.32Å; I59-V172 HydrophobicContact CG2-CG2 3.92Å; A168-V172 VanDerWaalsContact O-CB 3.31Å; A168-V172 WeakPolarHBondContact O-CB 3.26Å; A168-V172 VanDerWaalsContact O-CG2 3.29Å; A168-V172 WeakPolarHBondContact O-CG2 3.08Å; A168-V172 PolarHBondContact O-N 2.86Å; A168-V172 VanDerWaalsContact O-N 3.15Å; T169-V172 WeakPolarHBondContact O-CB 3.49Å; T169-V172 PolarHBondContact O-N 2.85Å; T169-V172 VanDerWaalsContact O-N 3.1Å; E170-V172 PolarHBondContact O-N 2.7Å; V172-Q174 PolarHBondContact O-N 3.46Å; V172-K175 CarbonylContact O-C 3.57Å; V172-K175 PolarHBondContact O-N 3.19Å; V172-S176 WeakPolarHBondContact O-CB 3.47Å; V172-S176 PolarHBondContact O-N 3.47Å; V172-S176 VanDerWaalsContact O-N 3.09Å; V172-S176 PolarHBondContact O-OG 2.82Å |
| 173 | D | 89.7 | Confident | 75.3 | Confident | 94 Ų | 94 | 84.1 Ų | 84.1 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | -179.8 | -69.4 | -15.7 | 0 | 0 | 0 | 111.3 | T169 E170 K175 S176 | T169-D173 VanDerWaalsContact O-CG 3.32Å; T169-D173 PolarHBondContact O-N 2.84Å; E170-D173 PolarHBondContact O-N 2.76Å; D173-K175 PolarHBondContact O-N 3.39Å; D173-S176 PolarHBondContact O-N 2.93Å |
| 174 | Q | 84.8 | Confident | 72.9 | Confident | 98 Ų | 98 | 92.7 Ų | 92.7 | 46% | 0.458 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.6 | -28 | 175.7 | -71.3 | -177.7 | 5.6 | 0 | 0 | 113.4 | E170 V172 | E170-Q174 WeakPolarHBondContact O-CG 3.47Å; E170-Q174 PolarHBondContact O-N 2.9Å; E170-Q174 PolarHBondContact OE1-NE2 3.04Å; V172-Q174 PolarHBondContact O-N 3.46Å |
| 175 | K | 72.9 | Confident | 70.4 | Confident | 110 Ų | 110 | 99.4 Ų | 99.4 | 48% | 0.478 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 0.9 | 178.7 | -71.6 | -161.6 | -177.5 | 177.6 | 0 | 114.4 | F11 V172 D173 P177 | F11-K175 HydrophobicContact CE1-CD 3.68Å; F11-K175 HydrophobicContact CE1-CG 4.38Å; F11-K175 HydrophobicContact CZ-CD 4.12Å; V172-K175 CarbonylContact O-C 3.57Å; V172-K175 PolarHBondContact O-N 3.19Å; D173-K175 PolarHBondContact O-N 3.39Å; K175-P177 WeakPolarHBondContact O-CD 3.13Å |
| 176 | S | 62.9 | Low | 68.1 | Low | 37 Ų | 37 | 99.1 Ų | 99.1 | 26% | 0.259 | 49% | 0.49 | S | S | . | . | trans | -102.6 | 71 | 173.9 | -85.4 | 0 | 0 | 0 | 0 | 111.7 | R57 V172 D173 L178 | R57-S176 PolarHBondContact NH1-OG 2.58Å; R57-S176 PolarHBondContact NH2-OG 2.89Å; V172-S176 WeakPolarHBondContact O-CB 3.47Å; V172-S176 PolarHBondContact O-N 3.47Å; V172-S176 VanDerWaalsContact O-N 3.09Å; V172-S176 PolarHBondContact O-OG 2.82Å; D173-S176 PolarHBondContact O-N 2.93Å; S176-L178 PolarHBondContact O-N 3.1Å | ||
| 177 | P | 51.5 | Low | 65.8 | Low | 102 Ų | 102 | 98.1 Ų | 98.1 | 66% | 0.662 | 50% | 0.498 | S | S | * | . | trans | -70.3 | -11.7 | 163.2 | 2.9 | 5.7 | 0 | 0 | 0 | 113.3 | K175 S179 | K175-P177 WeakPolarHBondContact O-CD 3.13Å; P177-S179 VanDerWaalsContact C-N 3.29Å; P177-S179 PolarHBondContact O-N 3.32Å; P177-S179 VanDerWaalsContact O-N 3.08Å | ||
| 178 | L | 45.6 | Very low | 63.1 | Low | 175 Ų | 175 | 105.7 Ų | 105.7 | 92% | 0.916 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 26.3 | -166.9 | -79.2 | 159.8 | 0 | 0 | 0 | 116.5 | S176 | S176-L178 PolarHBondContact O-N 3.1Š|
| 179 | S | 45.1 | Very low | 60.8 | Low | 98 Ų | 98 | 113 Ų | 113 | 69% | 0.685 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.3 | 9.3 | 169.5 | 61.3 | 0 | 0 | 0 | 0 | 116.3 | P177 | P177-S179 VanDerWaalsContact C-N 3.29Å; P177-S179 PolarHBondContact O-N 3.32Å; P177-S179 VanDerWaalsContact O-N 3.08Å |
| 180 | R | 42.9 | Very low | 58.5 | Low | 229 Ų | 229 | 118.8 Ų | 118.8 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -102.4 | -3.5 | 177.1 | -80.6 | -167.9 | -178.5 | 162.6 | 4.6 | 115.8 | ||
| 181 | H | 41.2 | Very low | 56.2 | Low | 154 Ų | 154 | 122.8 Ų | 122.8 | 71% | 0.713 | 62% | 0.616 | S | S | * | * | trans | -104 | 83.1 | 167.9 | -90.9 | -84.2 | 0 | 0 | 0 | 109.1 | D183 | H181-D183 IonicContact CE1-OD1 3.99Å; H181-D183 IonicContact CG-OD1 3.7Å; H181-D183 IonicContact ND1-OD1 2.92Å; H181-D183 PolarHBondContact ND1-OD1 3.4Å; H181-D183 PolarHBondContact O-N 3.41Å | ||
| 182 | D | 42 | Very low | 53.9 | Low | 130 Ų | 130 | 127.3 Ų | 127.3 | 70% | 0.695 | 65% | 0.654 | S | S | * | * | trans | -58.2 | 65.5 | 145.1 | -79.1 | -35.8 | 0 | 0 | 0 | 108.5 | F184 | D182-F184 HydrophobicContact CB-CD2 3.87Å; D182-F184 HydrophobicContact CB-CE2 3.73Å; D182-F184 PolarHBondContact O-N 2.83Å | ||
| 183 | D | 42.6 | Very low | 51.5 | Low | 113 Ų | 113 | 131.8 Ų | 131.8 | 60% | 0.604 | 69% | 0.685 | S | S | * | * | trans | -72 | 79.4 | 162.5 | -73.5 | -12.1 | 0 | 0 | 0 | 105.4 | H181 I185 | H181-D183 IonicContact CE1-OD1 3.99Å; H181-D183 IonicContact CG-OD1 3.7Å; H181-D183 IonicContact ND1-OD1 2.92Å; H181-D183 PolarHBondContact ND1-OD1 3.4Å; H181-D183 PolarHBondContact O-N 3.41Å; D183-I185 PolarHBondContact O-N 2.67Å | ||
| 184 | F | 48.5 | Very low | 49.2 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 79% | 0.789 | 70% | 0.701 | S | S | * | * | trans | -56.7 | 90.9 | 161 | -77.4 | -87 | 0 | 0 | 0 | 107 | D182 E186 | D182-F184 HydrophobicContact CB-CD2 3.87Å; D182-F184 HydrophobicContact CB-CE2 3.73Å; D182-F184 PolarHBondContact O-N 2.83Å; F184-E186 VanDerWaalsContact C-N 3.29Å; F184-E186 PolarHBondContact O-N 3.12Å | ||
| 185 | I | 46 | Very low | 47.2 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | trans | -71.3 | 97.6 | 161.8 | -60.3 | 176.3 | 0 | 0 | 0 | 105 | D183 V187 | D183-I185 PolarHBondContact O-N 2.67Å; I185-V187 VanDerWaalsContact C-N 3.29Å; I185-V187 HydrophobicContact CG2-CG2 4.13Å; I185-V187 PolarHBondContact O-N 3.03Å | ||
| 186 | E | 49.5 | Very low | 45.5 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | trans | -63 | 92.9 | 168.9 | -167 | -171.8 | 171.8 | 0 | 0 | 108.1 | F184 K188 | F184-E186 VanDerWaalsContact C-N 3.29Å; F184-E186 PolarHBondContact O-N 3.12Å; E186-K188 PolarHBondContact O-N 3.41Å | ||
| 187 | V | 47.4 | Very low | 44.4 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | -73.2 | 95.6 | 172.4 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | I185 L189 | I185-V187 VanDerWaalsContact C-N 3.29Å; I185-V187 HydrophobicContact CG2-CG2 4.13Å; I185-V187 PolarHBondContact O-N 3.03Å; V187-L189 PolarHBondContact O-N 3.15Å | ||
| 188 | K | 40.6 | Very low | 43.7 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -68.4 | 101.2 | 166.6 | -72.4 | -172 | 178.1 | -179.4 | 0 | 108.8 | E186 H190 | E186-K188 PolarHBondContact O-N 3.41Å; K188-H190 PolarHBondContact O-N 2.87Å; K188-H190 VanDerWaalsContact O-N 3.1Å | ||
| 189 | L | 48.4 | Very low | 43.3 | Very low | 154 Ų | 154 | 147.8 Ų | 147.8 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -63.1 | 106.8 | 165.3 | -66.8 | 166 | 0 | 0 | 0 | 107.4 | V187 D191 | V187-L189 PolarHBondContact O-N 3.15Å; L189-D191 PolarHBondContact O-N 3.26Å | ||
| 190 | H | 45.7 | Very low | 43.2 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | trans | -71.7 | 118.6 | 164.4 | -116.3 | 74 | 0 | 0 | 0 | 107.1 | K188 A192 | K188-H190 PolarHBondContact O-N 2.87Å; K188-H190 VanDerWaalsContact O-N 3.1Å; H190-A192 PolarHBondContact O-N 3.1Å | ||
| 191 | D | 45.8 | Very low | 43.1 | Very low | 155 Ų | 155 | 152 Ų | 152 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -56.1 | 107.6 | 171.1 | -78.3 | -38.1 | 0 | 0 | 0 | 108.6 | L189 S193 | L189-D191 PolarHBondContact O-N 3.26Å; D191-S193 PolarHBondContact O-N 3.37Å | ||
| 192 | A | 46.7 | Very low | 43.4 | Very low | 99 Ų | 99 | 149.8 Ų | 149.8 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -68.5 | 89.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | H190 K194 | H190-A192 PolarHBondContact O-N 3.1Å; A192-K194 PolarHBondContact O-N 3.32Å | ||
| 193 | S | 42.7 | Very low | 43.1 | Very low | 98 Ų | 98 | 149.4 Ų | 149.4 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -54.1 | 129.9 | 165.6 | 49 | 0 | 0 | 0 | 0 | 109.1 | D191 D195 | D191-S193 PolarHBondContact O-N 3.37Å; S193-D195 PolarHBondContact O-N 2.72Å | ||
| 194 | K | 40.8 | Very low | 43.3 | Very low | 194 Ų | 194 | 154.9 Ų | 154.9 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -61.3 | 98 | 180 | -63.8 | 172.5 | 175.2 | 175.4 | 0 | 110.8 | A192 | A192-K194 PolarHBondContact O-N 3.32Š| ||
| 195 | D | 42.2 | Very low | 43.6 | Very low | 155 Ų | 155 | 156 Ų | 156 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -103.7 | 82.7 | 159.9 | -76.5 | -25.8 | 0 | 0 | 0 | 109 | S193 D197 | S193-D195 PolarHBondContact O-N 2.72Å; D195-D197 PolarHBondContact O-N 3.21Å | ||
| 196 | T | 37 | Very low | 43.4 | Very low | 135 Ų | 135 | 156.7 Ų | 156.7 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -66.1 | 107.2 | 152.3 | 39.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 197 | D | 40.8 | Very low | 43.1 | Very low | 145 Ų | 145 | 156.9 Ų | 156.9 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | trans | -142.7 | 102.2 | 148.6 | -148.3 | 0.2 | 0 | 0 | 0 | 110.7 | D195 N199 | D195-D197 PolarHBondContact O-N 3.21Å; D197-N199 PolarHBondContact O-N 2.77Å | ||
| 198 | F | 35.9 | Very low | 42.9 | Very low | 206 Ų | 206 | 159.6 Ų | 159.6 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -91.6 | 87.8 | -178.6 | -166.6 | -89 | 0 | 0 | 0 | 106.3 | ||||
| 199 | N | 37 | Very low | 43 | Very low | 117 Ų | 117 | 159.6 Ų | 159.6 | 63% | 0.626 | 84% | 0.835 | S | S | * | * | trans | -133.2 | 101.2 | 176.6 | -133 | -4.5 | 0 | 0 | 0 | 114.1 | D197 | D197-N199 PolarHBondContact O-N 2.77Š| ||
| 200 | Q | 43.5 | Very low | 42.7 | Very low | 160 Ų | 160 | 160 Ų | 160 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | trans | 56.1 | 96.5 | 139.9 | -68.4 | 175.7 | 0.4 | 0 | 0 | 118.8 | V202 | Q200-V202 PolarHBondContact O-N 2.87Š| ||
| 201 | R | 41.9 | Very low | 42.5 | Very low | 255 Ų | 255 | 158.7 Ų | 158.7 | 96% | 0.962 | 84% | 0.837 | S | S | * | * | trans | -55.4 | 111.3 | 151.8 | -65.9 | 175.3 | 175.3 | 174.8 | -1.9 | 109.9 | ||||
| 202 | V | 46.6 | Very low | 42.2 | Very low | 108 Ų | 108 | 158.9 Ų | 158.9 | 66% | 0.655 | 84% | 0.838 | S | S | * | * | trans | -98.2 | 110.9 | 163.4 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | Q200 | Q200-V202 PolarHBondContact O-N 2.87Š| ||
| 203 | C | 36 | Very low | 41.9 | Very low | 122 Ų | 122 | 163.5 Ų | 163.5 | 82% | 0.824 | 84% | 0.84 | S | S | * | * | trans | -78.1 | 124.5 | 173.5 | -162.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 204 | W | 46.4 | Very low | 41.8 | Very low | 228 Ų | 228 | 169 Ų | 169 | 86% | 0.864 | 85% | 0.852 | S | S | * | * | trans | -96.7 | 121.4 | 174.5 | -73.1 | 62.8 | 0 | 0 | 0 | 108.4 | ||||
| 205 | C | 54 | Low | 41.9 | Very low | 203 Ų | 203 | 166.7 Ų | 166.7 | 100% | 1.372 | 85% | 0.853 | S | S | * | * | trans | -59.5 | 0 | 171 | -57.9 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 205 of 205 residues in 270.3 ms
(Link to these results)