| 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 | 44.4 | Very low | 70.2 | Confident | 189 Ų | 189 | 93.4 Ų | 93.4 | 93% | 0.931 | 55% | 0.545 | S | S | * | . | 0 | 147.8 | 0 | -64.3 | 166.5 | -178.5 | 0 | 0 | 106 | Q3 K60 | M1-Q3 PolarHBondContact O-N 3.5Å; M1-K60 HydrophobicContact SD-CD 4.31Å; M1-K60 WeakPolarHBondContact SD-CE 3.23Å; M1-K60 HydrophobicContact SD-CG 3.8Å | |||
| 2 | A | 45.4 | Very low | 71.9 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 62% | 0.62 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 131.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 3 | Q | 53 | Low | 73.4 | Confident | 115 Ų | 115 | 92 Ų | 92 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 139.5 | 163.8 | -80.8 | 151.6 | -66.9 | 0 | 0 | 108 | M1 E175 | M1-Q3 PolarHBondContact O-N 3.5Å; Q3-E175 PolarHBondContact NE2-O 3.18Å |
| 4 | T | 62.1 | Low | 74.8 | Confident | 80 Ų | 80 | 86.5 Ų | 86.5 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 130.8 | 167.5 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | L6 | T4-L6 PolarHBondContact O-N 3.43Š|
| 5 | S | 71.1 | Confident | 76.2 | Confident | 97 Ų | 97 | 84.1 Ų | 84.1 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -71.6 | 31.6 | 173.2 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 6 | L | 78.7 | Confident | 77.6 | Confident | 78 Ų | 78 | 81.8 Ų | 81.8 | 41% | 0.408 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -119.2 | 129.9 | -178.2 | -61.2 | 177.9 | 0 | 0 | 0 | 108.3 | T4 F10 W176 | T4-L6 PolarHBondContact O-N 3.43Å; L6-F10 HydrophobicContact CB-CB 3.85Å; L6-W176 VanDerWaalsContact O-CH2 3.24Å; L6-W176 WeakPolarHBondContact O-CH2 3.38Å |
| 7 | P | 81.5 | Confident | 78.7 | Confident | 68 Ų | 68 | 78.3 Ų | 78.3 | 44% | 0.442 | 45% | 0.445 | S | S | . | . | trans | -52.8 | 157.8 | -176.4 | -27.2 | 34.4 | 0 | 0 | 0 | 114.3 | G9 F10 | P7-G9 PolarHBondContact O-N 3.46Å; P7-F10 HydrophobicContact CB-CD2 3.83Å; P7-F10 HydrophobicContact CB-CE2 3.99Å; P7-F10 HydrophobicContact CG-CD2 4.16Å; P7-F10 HydrophobicContact CG-CE2 4.07Å; P7-F10 WeakPolarHBondContact O-CB 3.49Å; P7-F10 WeakPolarHBondContact O-CD2 3.35Å; P7-F10 PolarHBondContact O-N 3.42Å | ||
| 8 | P | 80.7 | Confident | 79.8 | Confident | 69 Ų | 69 | 76.5 Ų | 76.5 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 134.8 | -179 | 24.8 | -29.9 | 0 | 0 | 0 | 110.2 | F171 W176 | P8-F171 HydrophobicContact CB-CD2 4.13Å; P8-F171 HydrophobicContact CB-CE2 4.04Å; P8-F171 HydrophobicContact CG-CE2 4.33Å; P8-W176 HydrophobicContact CB-CZ2 4.05Å; P8-W176 VanDerWaalsContact CD-CZ2 3.46Å; P8-W176 HydrophobicContact CG-CD2 4.19Å; P8-W176 HydrophobicContact CG-CZ2 4.19Å |
| 9 | G | 81.8 | Confident | 80.7 | Confident | 64 Ų | 64 | 72.5 Ų | 72.5 | 66% | 0.66 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -21.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P7 R11 | P7-G9 PolarHBondContact O-N 3.46Å; G9-R11 PolarHBondContact O-N 3.08Å |
| 10 | F | 84.8 | Confident | 81.5 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | trans | -74.1 | 120.4 | 168.8 | -75.3 | -102.7 | 0 | 0 | 0 | 110.1 | L6 P7 L326 | L6-F10 HydrophobicContact CB-CB 3.85Å; P7-F10 HydrophobicContact CB-CD2 3.83Å; P7-F10 HydrophobicContact CB-CE2 3.99Å; P7-F10 HydrophobicContact CG-CD2 4.16Å; P7-F10 HydrophobicContact CG-CE2 4.07Å; P7-F10 WeakPolarHBondContact O-CB 3.49Å; P7-F10 WeakPolarHBondContact O-CD2 3.35Å; P7-F10 PolarHBondContact O-N 3.42Å; F10-L326 HydrophobicContact CE1-CD1 4.45Å; F10-L326 HydrophobicContact CZ-CD1 3.84Å; F10-L326 HydrophobicContact CZ-CD2 4.16Å | ||
| 11 | R | 88.5 | Confident | 82.1 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 36% | 0.362 | 38% | 0.376 | S | S | . | . | trans | -144 | 163.7 | -174.7 | -49.5 | -173.9 | 105.3 | 105.8 | 15.8 | 111.6 | G9 H13 D61 A169 | G9-R11 PolarHBondContact O-N 3.08Å; R11-H13 VanDerWaalsContact C-N 3.29Å; R11-H13 PolarHBondContact O-N 3.28Å; R11-D61 IonicContact CZ-OD1 2.85Å; R11-D61 IonicContact NE-OD1 2.65Å; R11-D61 PolarHBondContact NE-OD1 3.18Å; R11-D61 IonicContact NE-OD2 2.8Å; R11-D61 IonicContact NH2-OD1 3.96Å; R11-D61 PolarHBondContact NH2-OD1 2.97Å; R11-A169 VanDerWaalsContact CZ-O 3.32Å; R11-A169 PolarHBondContact NH1-O 2.92Å; R11-A169 VanDerWaalsContact NH2-CB 3.25Å; R11-A169 PolarHBondContact NH2-O 3.27Å | ||
| 12 | F | 91 | Very high | 84.5 | Confident | 35 Ų | 35 | 58 Ų | 58 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | trans | -76.1 | 80.8 | 167.9 | -169.8 | -103 | 0 | 0 | 0 | 110.6 | P14 Y23 A37 I38 L57 F65 | F12-P14 HydrophobicContact CD1-CG 4.09Å; F12-P14 HydrophobicContact CE1-CG 3.62Å; F12-P14 HydrophobicContact CE2-CG 4.36Å; F12-P14 HydrophobicContact CZ-CG 3.77Å; F12-P14 VanDerWaalsContact O-CD 3.26Å; F12-P14 WeakPolarHBondContact O-CD 3.09Å; F12-Y23 AromaticContact CE2-CE1 3.91Å; F12-Y23 HydrophobicContact CE2-CE1 3.91Å; F12-Y23 HydrophobicContact CE2-CE2 4.09Å; F12-Y23 AromaticContact CE2-CZ 3.54Å; F12-Y23 WeakPolarHBondContact CE2-OH 3.37Å; F12-Y23 HydrophobicContact CZ-CE1 4.05Å; F12-Y23 HydrophobicContact CZ-CE2 4.06Å; F12-Y23 AromaticContact CZ-CZ 3.85Å; F12-A37 HydrophobicContact CD1-CB 4.48Å; F12-A37 HydrophobicContact CD2-CB 3.55Å; F12-A37 HydrophobicContact CE1-CB 4.22Å; F12-A37 HydrophobicContact CE2-CB 3.23Å; F12-A37 HydrophobicContact CG-CB 4.18Å; F12-A37 HydrophobicContact CZ-CB 3.61Å; F12-I38 HydrophobicContact CE1-CD1 4.47Å; F12-I38 HydrophobicContact CE1-CG1 4.32Å; F12-I38 HydrophobicContact CZ-CD1 4.08Å; F12-I38 HydrophobicContact CZ-CG1 4.02Å; F12-L57 HydrophobicContact CB-CD1 4.17Å; F12-L57 HydrophobicContact CB-CD2 3.89Å; F12-L57 HydrophobicContact CD1-CD1 3.78Å; F12-L57 HydrophobicContact CD1-CD2 4.35Å; F12-L57 HydrophobicContact CG-CD1 4.19Å; F12-L57 HydrophobicContact CG-CD2 4.01Å; F12-F65 HydrophobicContact CD1-CD1 4.43Å; F12-F65 AromaticContact CD1-CD2 3.8Å; F12-F65 HydrophobicContact CD1-CD2 3.8Å; F12-F65 HydrophobicContact CD1-CE1 4.29Å; F12-F65 AromaticContact CD1-CE2 3.66Å; F12-F65 HydrophobicContact CD1-CE2 3.66Å; F12-F65 HydrophobicContact CD1-CG 4.19Å; F12-F65 AromaticContact CD1-CZ 3.9Å; F12-F65 HydrophobicContact CD1-CZ 3.9Å; F12-F65 HydrophobicContact CE1-CB 4.35Å; F12-F65 AromaticContact CE1-CD1 3.78Å; F12-F65 HydrophobicContact CE1-CD1 3.78Å; F12-F65 AromaticContact CE1-CD2 3.87Å; F12-F65 HydrophobicContact CE1-CD2 3.87Å; F12-F65 AromaticContact CE1-CE1 3.87Å; F12-F65 HydrophobicContact CE1-CE1 3.87Å; F12-F65 AromaticContact CE1-CE2 3.99Å; F12-F65 HydrophobicContact CE1-CE2 3.99Å; F12-F65 AromaticContact CE1-CG 3.75Å; F12-F65 HydrophobicContact CE1-CG 3.75Å; F12-F65 AromaticContact CE1-CZ 3.98Å; F12-F65 HydrophobicContact CE1-CZ 3.98Å | ||
| 13 | H | 90.7 | Very high | 87 | Confident | 134 Ų | 134 | 56 Ų | 56 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | trans | -116.9 | 57.3 | -179 | -158.3 | 83.9 | 0 | 0 | 0 | 113.2 | R11 | R11-H13 VanDerWaalsContact C-N 3.29Å; R11-H13 PolarHBondContact O-N 3.28Å | ||
| 14 | P | 94.1 | Very high | 89.1 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | trans | -70.5 | 146.4 | -174.8 | 31.8 | -38.8 | 0 | 0 | 0 | 113.1 | F12 E18 L19 Y23 F65 | F12-P14 HydrophobicContact CD1-CG 4.09Å; F12-P14 HydrophobicContact CE1-CG 3.62Å; F12-P14 HydrophobicContact CE2-CG 4.36Å; F12-P14 HydrophobicContact CZ-CG 3.77Å; F12-P14 VanDerWaalsContact O-CD 3.26Å; F12-P14 WeakPolarHBondContact O-CD 3.09Å; P14-E18 WeakPolarHBondContact CA-OE2 3.39Å; P14-E18 HydrophobicContact CB-CB 4.04Å; P14-L19 HydrophobicContact CB-CD2 4.06Å; P14-L19 HydrophobicContact CB-CG 4.09Å; P14-L19 HydrophobicContact CG-CD1 4.37Å; P14-L19 HydrophobicContact CG-CD2 3.44Å; P14-L19 VanDerWaalsContact CG-CD2 3.44Å; P14-L19 HydrophobicContact CG-CG 3.83Å; P14-Y23 HydrophobicContact CB-CE2 4.12Å; P14-F65 HydrophobicContact CG-CE1 4.11Å; P14-F65 HydrophobicContact CG-CZ 4.42Å | ||
| 15 | T | 95.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 31% | 0.307 | 27% | 0.272 | S | S | . | . | trans | -69.4 | 162.9 | 174 | 71.9 | 0 | 0 | 0 | 0 | 112.4 | V17 E18 L19 | T15-V17 PolarHBondContact O-N 3.42Å; T15-V17 VanDerWaalsContact O-N 3.11Å; T15-V17 PolarHBondContact OG1-N 3.23Å; T15-E18 VanDerWaalsContact CB-OE1 3.29Å; T15-E18 WeakPolarHBondContact CB-OE1 3.28Å; T15-E18 WeakPolarHBondContact CG2-OE1 3.31Å; T15-E18 PolarHBondContact N-OE2 3.1Å; T15-E18 PolarHBondContact O-N 3.2Å; T15-E18 PolarHBondContact OG1-N 3.37Å; T15-E18 PolarHBondContact OG1-OE1 3.29Å; T15-L19 WeakPolarHBondContact O-CG 3.48Å; T15-L19 PolarHBondContact O-N 2.83Å | ||
| 16 | D | 97.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 44.8 Ų | 44.8 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.7 | -26.6 | 173.2 | -77.6 | -11.1 | 0 | 0 | 0 | 112.6 | I98 K108 Y131 | D16-I98 HydrophobicContact CB-CD1 4.07Å; D16-I98 HydrophobicContact CB-CG1 4.25Å; D16-K108 IonicContact OD1-NZ 2.71Å; D16-K108 PolarHBondContact OD1-NZ 3.32Å; D16-K108 WeakPolarHBondContact OD2-CD 3.47Å; D16-K108 IonicContact OD2-NZ 3.59Å; D16-K108 PolarHBondContact OD2-NZ 3.28Å; D16-Y131 HydrophobicContact CB-CE1 4.1Å; D16-Y131 VanDerWaalsContact OD1-CE1 3.24Å; D16-Y131 WeakPolarHBondContact OD1-CE1 3.43Å; D16-Y131 VanDerWaalsContact OD1-CZ 3.32Å; D16-Y131 PolarHBondContact OD1-OH 2.9Å |
| 17 | V | 97.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -78.2 | -45.3 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | T15 L19 V20 S21 I98 L100 | T15-V17 PolarHBondContact O-N 3.42Å; T15-V17 VanDerWaalsContact O-N 3.11Å; T15-V17 PolarHBondContact OG1-N 3.23Å; V17-L19 PolarHBondContact O-N 2.99Å; V17-V20 PolarHBondContact O-N 3.15Å; V17-S21 VanDerWaalsContact O-CB 3.29Å; V17-S21 WeakPolarHBondContact O-CB 3.44Å; V17-S21 PolarHBondContact O-N 2.98Å; V17-S21 PolarHBondContact O-OG 3.26Å; V17-I98 HydrophobicContact CB-CG2 4.46Å; V17-I98 HydrophobicContact CG2-CG2 3.92Å; V17-L100 HydrophobicContact CG1-CB 4.16Å; V17-L100 HydrophobicContact CG1-CD1 4.02Å |
| 18 | E | 96.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 176.6 | -72.4 | 135.7 | -126.1 | 0 | 0 | 112.5 | P14 T15 V20 Y22 Y23 F291 | P14-E18 WeakPolarHBondContact CA-OE2 3.39Å; P14-E18 HydrophobicContact CB-CB 4.04Å; T15-E18 VanDerWaalsContact CB-OE1 3.29Å; T15-E18 WeakPolarHBondContact CB-OE1 3.28Å; T15-E18 WeakPolarHBondContact CG2-OE1 3.31Å; T15-E18 PolarHBondContact N-OE2 3.1Å; T15-E18 PolarHBondContact O-N 3.2Å; T15-E18 PolarHBondContact OG1-N 3.37Å; T15-E18 PolarHBondContact OG1-OE1 3.29Å; E18-V20 PolarHBondContact O-N 3.44Å; E18-Y22 WeakPolarHBondContact O-CB 3.41Å; E18-Y22 PolarHBondContact O-N 3.17Å; E18-Y23 WeakPolarHBondContact O-CD2 3.36Å; E18-Y23 PolarHBondContact O-N 3.28Å; E18-F291 HydrophobicContact CB-CZ 4.24Å; E18-F291 HydrophobicContact CG-CE1 3.78Å; E18-F291 HydrophobicContact CG-CZ 3.66Å |
| 19 | L | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -56.3 | -39.2 | 176.9 | -71.9 | 174.8 | 0 | 0 | 0 | 112.3 | P14 T15 V17 Y23 L24 I38 F65 Y131 L150 | P14-L19 HydrophobicContact CB-CD2 4.06Å; P14-L19 HydrophobicContact CB-CG 4.09Å; P14-L19 HydrophobicContact CG-CD1 4.37Å; P14-L19 HydrophobicContact CG-CD2 3.44Å; P14-L19 VanDerWaalsContact CG-CD2 3.44Å; P14-L19 HydrophobicContact CG-CG 3.83Å; T15-L19 WeakPolarHBondContact O-CG 3.48Å; T15-L19 PolarHBondContact O-N 2.83Å; V17-L19 PolarHBondContact O-N 2.99Å; L19-Y23 HydrophobicContact CD2-CD2 4.34Å; L19-L24 VanDerWaalsContact O-CB 3.32Å; L19-L24 WeakPolarHBondContact O-CB 3.46Å; L19-L24 PolarHBondContact O-N 3.3Å; L19-I38 HydrophobicContact CD2-CD1 4.49Å; L19-F65 HydrophobicContact CD1-CE1 4.23Å; L19-F65 HydrophobicContact CD2-CD1 3.98Å; L19-F65 HydrophobicContact CD2-CE1 3.9Å; L19-Y131 HydrophobicContact CB-CD1 4.31Å; L19-Y131 HydrophobicContact CB-CE1 4.26Å; L19-Y131 HydrophobicContact CD1-CE1 3.84Å; L19-Y131 HydrophobicContact CD1-CE2 3.88Å; L19-Y131 VanDerWaalsContact CD1-CZ 3.46Å; L19-Y131 WeakPolarHBondContact CD1-OH 3.41Å; L19-L150 HydrophobicContact CB-CD1 4.2Å; L19-L150 HydrophobicContact CB-CD2 4.36Å; L19-L150 HydrophobicContact CD1-CD2 4.43Å; L19-L150 HydrophobicContact CD2-CD1 3.86Å; L19-L150 HydrophobicContact CD2-CD2 3.89Å; L19-L150 HydrophobicContact CG-CD2 4.47Å; L19-L150 WeakPolarHBondContact O-CD1 3.25Å |
| 20 | V | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -84 | -62.3 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | V17 E18 Y22 K25 I98 V105 Y131 M133 | V17-V20 PolarHBondContact O-N 3.15Å; E18-V20 PolarHBondContact O-N 3.44Å; V20-Y22 PolarHBondContact O-N 3.35Å; V20-K25 WeakPolarHBondContact O-CB 3.49Å; V20-K25 PolarHBondContact O-N 3.5Å; V20-I98 HydrophobicContact CG2-CD1 3.61Å; V20-I98 HydrophobicContact CG2-CG2 4.47Å; V20-V105 HydrophobicContact CG1-CB 4.03Å; V20-V105 HydrophobicContact CG1-CG2 4.03Å; V20-V105 VanDerWaalsContact CG1-O 3.27Å; V20-V105 WeakPolarHBondContact CG1-O 3.33Å; V20-Y131 HydrophobicContact CG2-CD1 4.01Å; V20-M133 HydrophobicContact CG1-CE 3.83Å; V20-M133 HydrophobicContact CG1-SD 4.12Å; V20-M133 WeakPolarHBondContact O-CE 3.35Å |
| 21 | S | 94.7 | Very high | 94.7 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -72.2 | -25.3 | -165.9 | -62.1 | 0 | 0 | 0 | 0 | 114.1 | V17 K25 | V17-S21 VanDerWaalsContact O-CB 3.29Å; V17-S21 WeakPolarHBondContact O-CB 3.44Å; V17-S21 PolarHBondContact O-N 2.98Å; V17-S21 PolarHBondContact O-OG 3.26Å; S21-K25 VanDerWaalsContact O-CB 3.25Å; S21-K25 WeakPolarHBondContact O-CB 3.35Å |
| 22 | Y | 95.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -107.2 | -64.7 | 176.1 | 176.7 | -101 | 0 | 0 | 0 | 111.2 | E18 V20 R26 I34 L288 F291 | E18-Y22 WeakPolarHBondContact O-CB 3.41Å; E18-Y22 PolarHBondContact O-N 3.17Å; V20-Y22 PolarHBondContact O-N 3.35Å; Y22-R26 VanDerWaalsContact CE2-NH1 3.31Å; Y22-R26 VanDerWaalsContact O-CB 3.29Å; Y22-R26 WeakPolarHBondContact O-CB 3.49Å; Y22-R26 WeakPolarHBondContact O-CG 3.43Å; Y22-R26 PolarHBondContact O-N 2.74Å; Y22-I34 WeakPolarHBondContact OH-CG1 3.43Å; Y22-I34 PolarHBondContact OH-N 3.29Å; Y22-L288 HydrophobicContact CD2-CD2 4.17Å; Y22-L288 HydrophobicContact CE2-CD2 3.4Å; Y22-L288 VanDerWaalsContact CE2-CD2 3.4Å; Y22-L288 HydrophobicContact CE2-CG 4.26Å; Y22-F291 HydrophobicContact CD2-CD1 4.42Å; Y22-F291 HydrophobicContact CG-CE1 4.47Å |
| 23 | Y | 96.8 | Very high | 94.6 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -66.4 | -58.7 | -171.1 | -70.1 | -77.3 | 0 | 0 | 0 | 112.9 | F12 P14 E18 L19 K27 H33 I38 | F12-Y23 AromaticContact CE2-CE1 3.91Å; F12-Y23 HydrophobicContact CE2-CE1 3.91Å; F12-Y23 HydrophobicContact CE2-CE2 4.09Å; F12-Y23 AromaticContact CE2-CZ 3.54Å; F12-Y23 WeakPolarHBondContact CE2-OH 3.37Å; F12-Y23 HydrophobicContact CZ-CE1 4.05Å; F12-Y23 HydrophobicContact CZ-CE2 4.06Å; F12-Y23 AromaticContact CZ-CZ 3.85Å; P14-Y23 HydrophobicContact CB-CE2 4.12Å; E18-Y23 WeakPolarHBondContact O-CD2 3.36Å; E18-Y23 PolarHBondContact O-N 3.28Å; L19-Y23 HydrophobicContact CD2-CD2 4.34Å; Y23-K27 WeakPolarHBondContact O-CB 3.4Å; Y23-K27 PolarHBondContact O-N 2.85Å; Y23-K27 VanDerWaalsContact O-N 3.12Å; Y23-H33 AromaticContact CD1-CD2 3.65Å; Y23-H33 PolarHBondContact O-NE2 2.83Å; Y23-I38 HydrophobicContact CD1-CD1 3.83Å; Y23-I38 HydrophobicContact CD1-CG1 4.41Å; Y23-I38 HydrophobicContact CG-CD1 3.84Å |
| 24 | L | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -68.1 | -38.4 | -179.1 | -176.6 | 59 | 0 | 0 | 0 | 112.3 | L19 K27 I28 F67 M133 L150 | L19-L24 VanDerWaalsContact O-CB 3.32Å; L19-L24 WeakPolarHBondContact O-CB 3.46Å; L19-L24 PolarHBondContact O-N 3.3Å; L24-K27 PolarHBondContact O-N 3.21Å; L24-I28 HydrophobicContact CD1-CD1 3.93Å; L24-I28 HydrophobicContact CD1-CG1 4.22Å; L24-I28 HydrophobicContact CG-CD1 3.91Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 3.04Å; L24-F67 HydrophobicContact CD1-CD1 4.36Å; L24-F67 HydrophobicContact CD1-CE1 4.44Å; L24-M133 HydrophobicContact CB-CE 4.1Å; L24-M133 HydrophobicContact CD2-CB 4.16Å; L24-M133 HydrophobicContact CD2-CE 4.21Å; L24-M133 HydrophobicContact CG-CE 3.91Å; L24-L150 HydrophobicContact CB-CB 4.27Å; L24-L150 HydrophobicContact CB-CD1 4.43Å; L24-L150 HydrophobicContact CD1-CB 4.24Å; L24-L150 HydrophobicContact CD2-CB 4.35Å |
| 25 | K | 95.2 | Very high | 93.8 | Very high | 50 Ų | 50 | 43 Ų | 43 | 22% | 0.217 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -51.2 | 177.1 | -166.1 | 163.6 | -176.1 | 167.3 | 0 | 111.7 | V20 S21 K27 I28 M29 M133 D135 L138 | V20-K25 WeakPolarHBondContact O-CB 3.49Å; V20-K25 PolarHBondContact O-N 3.5Å; S21-K25 VanDerWaalsContact O-CB 3.25Å; S21-K25 WeakPolarHBondContact O-CB 3.35Å; K25-K27 VanDerWaalsContact C-N 3.35Å; K25-K27 PolarHBondContact O-N 3.1Å; K25-I28 PolarHBondContact O-N 2.97Å; K25-M29 HydrophobicContact CG-SD 3.93Å; K25-M29 VanDerWaalsContact O-CG 3.3Å; K25-M29 WeakPolarHBondContact O-CG 3.38Å; K25-M29 PolarHBondContact O-N 3.29Å; K25-M133 HydrophobicContact CB-CE 3.78Å; K25-M133 HydrophobicContact CG-CE 4.38Å; K25-D135 IonicContact NZ-OD1 2.75Å; K25-D135 IonicContact NZ-OD2 2.82Å; K25-D135 PolarHBondContact NZ-OD2 2.9Å; K25-L138 HydrophobicContact CG-CD1 4.32Å; K25-L138 HydrophobicContact CG-CD2 4.33Å |
| 26 | R | 95 | Very high | 93.4 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -39.6 | 177.4 | -75.6 | -172.2 | 164 | -172.8 | 0.6 | 112.1 | Y22 I28 M29 G30 K31 F284 E287 | Y22-R26 VanDerWaalsContact CE2-NH1 3.31Å; Y22-R26 VanDerWaalsContact O-CB 3.29Å; Y22-R26 WeakPolarHBondContact O-CB 3.49Å; Y22-R26 WeakPolarHBondContact O-CG 3.43Å; Y22-R26 PolarHBondContact O-N 2.74Å; R26-I28 PolarHBondContact O-N 2.95Å; R26-M29 CarbonylContact O-C 3.58Å; R26-M29 PolarHBondContact O-N 3.02Å; R26-G30 PolarHBondContact O-N 2.91Å; R26-K31 CarbonylContact C-O 3.52Å; R26-K31 HydrophobicContact CB-CB 3.84Å; R26-K31 HydrophobicContact CG-CB 3.88Å; R26-K31 HydrophobicContact CG-CD 4.34Å; R26-K31 PolarHBondContact O-N 2.82Å; R26-F284 VanDerWaalsContact NH1-CD2 3.29Å; R26-F284 PolarHBondContact NH2-O 2.98Å; R26-E287 IonicContact CZ-OE2 2.87Å; R26-E287 VanDerWaalsContact CZ-OE2 3.25Å; R26-E287 IonicContact NE-OE2 2.79Å; R26-E287 PolarHBondContact NE-OE2 3.13Å; R26-E287 IonicContact NH2-OE2 2.97Å; R26-E287 PolarHBondContact NH2-OE2 3.26Å |
| 27 | K | 95.7 | Very high | 93 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 22% | 0.222 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.5 | 179.7 | 61.9 | 177.3 | 178.7 | 0 | 112.8 | Y23 L24 K25 M29 G30 E40 F67 Y148 | Y23-K27 WeakPolarHBondContact O-CB 3.4Å; Y23-K27 PolarHBondContact O-N 2.85Å; Y23-K27 VanDerWaalsContact O-N 3.12Å; L24-K27 PolarHBondContact O-N 3.21Å; K25-K27 VanDerWaalsContact C-N 3.35Å; K25-K27 PolarHBondContact O-N 3.1Å; K27-M29 VanDerWaalsContact C-N 3.32Å; K27-G30 PolarHBondContact O-N 2.9Å; K27-E40 WeakPolarHBondContact CE-OE2 3.34Å; K27-E40 IonicContact NZ-OE2 3.86Å; K27-E40 PolarHBondContact NZ-OE2 2.99Å; K27-F67 HydrophobicContact CB-CD1 4.05Å; K27-F67 HydrophobicContact CB-CD2 4.49Å; K27-F67 HydrophobicContact CB-CE1 3.64Å; K27-F67 HydrophobicContact CB-CE2 4.11Å; K27-F67 HydrophobicContact CB-CG 4.46Å; K27-F67 HydrophobicContact CB-CZ 3.68Å; K27-F67 HydrophobicContact CD-CD2 3.97Å; K27-F67 HydrophobicContact CD-CE2 4.15Å; K27-F67 HydrophobicContact CD-CG 4.21Å; K27-F67 HydrophobicContact CG-CB 4.46Å; K27-F67 HydrophobicContact CG-CD1 3.78Å; K27-F67 HydrophobicContact CG-CD2 3.99Å; K27-F67 HydrophobicContact CG-CE1 3.91Å; K27-F67 HydrophobicContact CG-CE2 4.11Å; K27-F67 HydrophobicContact CG-CG 3.82Å; K27-F67 HydrophobicContact CG-CZ 4.08Å; K27-Y148 HydrophobicContact CG-CD2 4.32Å; K27-Y148 HydrophobicContact CG-CG 4.33Å |
| 28 | I | 94.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -32.3 | 177.2 | -68.8 | 169.6 | 0 | 0 | 0 | 111.5 | L24 K25 R26 G30 M133 L138 F143 | L24-I28 HydrophobicContact CD1-CD1 3.93Å; L24-I28 HydrophobicContact CD1-CG1 4.22Å; L24-I28 HydrophobicContact CG-CD1 3.91Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 3.04Å; K25-I28 PolarHBondContact O-N 2.97Å; R26-I28 PolarHBondContact O-N 2.95Å; I28-G30 VanDerWaalsContact C-N 3.31Å; I28-M133 HydrophobicContact CD1-CB 3.7Å; I28-M133 HydrophobicContact CD1-CE 4.31Å; I28-M133 HydrophobicContact CD1-CG 3.93Å; I28-L138 HydrophobicContact CB-CD2 4.48Å; I28-L138 HydrophobicContact CG2-CD2 4.02Å; I28-F143 HydrophobicContact CG2-CB 4.09Å |
| 29 | M | 94.2 | Very high | 92.8 | Very high | 53 Ų | 53 | 42.2 Ų | 42.2 | 26% | 0.261 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -79.4 | -6.6 | 175.5 | -66.5 | 174.2 | 71.3 | 0 | 0 | 114.5 | K25 R26 K27 K31 L138 F143 | K25-M29 HydrophobicContact CG-SD 3.93Å; K25-M29 VanDerWaalsContact O-CG 3.3Å; K25-M29 WeakPolarHBondContact O-CG 3.38Å; K25-M29 PolarHBondContact O-N 3.29Å; R26-M29 CarbonylContact O-C 3.58Å; R26-M29 PolarHBondContact O-N 3.02Å; K27-M29 VanDerWaalsContact C-N 3.32Å; M29-K31 HydrophobicContact CB-CG 4.32Å; M29-K31 HydrophobicContact CE-CD 4.31Å; M29-K31 PolarHBondContact O-N 3.33Å; M29-L138 HydrophobicContact CG-CD1 3.48Å; M29-L138 VanDerWaalsContact CG-CD1 3.48Å; M29-L138 HydrophobicContact SD-CD1 3.92Å; M29-F143 HydrophobicContact CB-CE1 4.1Å; M29-F143 HydrophobicContact CB-CZ 4.25Å; M29-F143 HydrophobicContact CE-CE2 4.38Å; M29-F143 HydrophobicContact CE-CZ 4.47Å; M29-F143 HydrophobicContact CG-CD1 4.31Å; M29-F143 HydrophobicContact CG-CD2 4.34Å; M29-F143 HydrophobicContact CG-CE1 4.17Å; M29-F143 HydrophobicContact CG-CE2 4.18Å; M29-F143 HydrophobicContact CG-CG 4.4Å; M29-F143 HydrophobicContact CG-CZ 4.09Å |
| 30 | G | 92.7 | Very high | 92.7 | Very high | 69 Ų | 69 | 46.9 Ų | 46.9 | 71% | 0.711 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 8.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R26 K27 I28 | R26-G30 PolarHBondContact O-N 2.91Å; K27-G30 PolarHBondContact O-N 2.9Å; I28-G30 VanDerWaalsContact C-N 3.31Å |
| 31 | K | 92 | Very high | 92.7 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 140.3 | 174.8 | -76.7 | -169.8 | 167 | -165.3 | 0 | 110 | R26 M29 E283 E287 | R26-K31 CarbonylContact C-O 3.52Å; R26-K31 HydrophobicContact CB-CB 3.84Å; R26-K31 HydrophobicContact CG-CB 3.88Å; R26-K31 HydrophobicContact CG-CD 4.34Å; R26-K31 PolarHBondContact O-N 2.82Å; M29-K31 HydrophobicContact CB-CG 4.32Å; M29-K31 HydrophobicContact CE-CD 4.31Å; M29-K31 PolarHBondContact O-N 3.33Å; K31-E283 IonicContact NZ-OE1 3.86Å; K31-E283 PolarHBondContact NZ-OE1 2.86Å; K31-E287 IonicContact NZ-OE1 2.9Å; K31-E287 PolarHBondContact NZ-OE1 2.7Å; K31-E287 IonicContact NZ-OE2 2.98Å; K31-E287 PolarHBondContact NZ-OE2 3.06Å |
| 32 | K | 89 | Confident | 92.6 | Very high | 138 Ų | 138 | 49.1 Ų | 49.1 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -70 | 155 | 172.6 | -65.4 | 177.5 | -177 | 172.3 | 0 | 111.5 | M275 | K32-M275 HydrophobicContact CD-SD 4.48Å; K32-M275 PolarHBondContact NZ-SD 3.4Å |
| 33 | H | 87 | Confident | 92.6 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 18% | 0.181 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 158.6 | 169.7 | -51.4 | 89.5 | 0 | 0 | 0 | 110.1 | Y23 V35 F67 | Y23-H33 AromaticContact CD1-CD2 3.65Å; Y23-H33 PolarHBondContact O-NE2 2.83Å; H33-V35 VanDerWaalsContact C-N 3.31Å; H33-V35 WeakPolarHBondContact CB-O 3.33Å; H33-F67 AromaticContact CE1-CE2 3.83Å; H33-F67 AromaticContact CE1-CZ 3.76Å; H33-F67 AromaticContact NE2-CZ 3.87Å |
| 34 | I | 84.7 | Confident | 92.5 | Very high | 109 Ų | 109 | 47.3 Ų | 47.3 | 56% | 0.559 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -60 | -45.6 | 169.7 | -55.3 | 159.7 | 0 | 0 | 0 | 110.2 | Y22 F284 L288 | Y22-I34 WeakPolarHBondContact OH-CG1 3.43Å; Y22-I34 PolarHBondContact OH-N 3.29Å; I34-F284 HydrophobicContact CB-CZ 4.35Å; I34-F284 HydrophobicContact CG1-CE1 3.73Å; I34-F284 HydrophobicContact CG1-CZ 3.51Å; I34-L288 HydrophobicContact CD1-CD1 3.69Å; I34-L288 HydrophobicContact CD1-CD2 3.81Å; I34-L288 HydrophobicContact CD1-CG 4.43Å; I34-L288 HydrophobicContact CG1-CD1 3.94Å |
| 35 | V | 83.8 | Confident | 92.3 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -122.4 | 130.3 | -173.7 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | H33 A37 | H33-V35 VanDerWaalsContact C-N 3.31Å; H33-V35 WeakPolarHBondContact CB-O 3.33Å; V35-A37 HydrophobicContact CG1-CB 4.14Å; V35-A37 PolarHBondContact O-N 3.47Å |
| 36 | D | 87.2 | Confident | 92.4 | Very high | 125 Ų | 125 | 53.8 Ų | 53.8 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | trans | -78.8 | 56.6 | 177.8 | -167.9 | 15.9 | 0 | 0 | 0 | 112 | I38 S56 | D36-I38 VanDerWaalsContact C-N 3.29Å; D36-I38 PolarHBondContact O-N 3.29Å; D36-S56 VanDerWaalsContact O-CB 3.28Å; D36-S56 WeakPolarHBondContact O-CB 3.47Å; D36-S56 PolarHBondContact O-OG 3.08Å | ||
| 37 | A | 89.6 | Confident | 92.4 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | trans | -79.8 | -2.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F12 V35 S56 L57 | F12-A37 HydrophobicContact CD1-CB 4.48Å; F12-A37 HydrophobicContact CD2-CB 3.55Å; F12-A37 HydrophobicContact CE1-CB 4.22Å; F12-A37 HydrophobicContact CE2-CB 3.23Å; F12-A37 HydrophobicContact CG-CB 4.18Å; F12-A37 HydrophobicContact CZ-CB 3.61Å; V35-A37 HydrophobicContact CG1-CB 4.14Å; V35-A37 PolarHBondContact O-N 3.47Å; A37-S56 VanDerWaalsContact C-OG 3.26Å; A37-L57 HydrophobicContact CB-CD2 3.8Å; A37-L57 WeakPolarHBondContact O-CG 3.47Å | ||
| 38 | I | 95.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -140.8 | 101.8 | -170.5 | -52.9 | -170.1 | 0 | 0 | 0 | 110.3 | F12 L19 Y23 D36 S56 F65 F66 F67 L150 | F12-I38 HydrophobicContact CE1-CD1 4.47Å; F12-I38 HydrophobicContact CE1-CG1 4.32Å; F12-I38 HydrophobicContact CZ-CD1 4.08Å; F12-I38 HydrophobicContact CZ-CG1 4.02Å; L19-I38 HydrophobicContact CD2-CD1 4.49Å; Y23-I38 HydrophobicContact CD1-CD1 3.83Å; Y23-I38 HydrophobicContact CD1-CG1 4.41Å; Y23-I38 HydrophobicContact CG-CD1 3.84Å; D36-I38 VanDerWaalsContact C-N 3.29Å; D36-I38 PolarHBondContact O-N 3.29Å; I38-S56 PolarHBondContact N-OG 3.07Å; I38-F65 HydrophobicContact CD1-CB 4.38Å; I38-F65 HydrophobicContact CG1-CB 3.99Å; I38-F65 HydrophobicContact CG2-CB 4.29Å; I38-F66 VanDerWaalsContact CG2-C 3.42Å; I38-F67 HydrophobicContact CB-CD2 3.96Å; I38-F67 HydrophobicContact CB-CE2 3.6Å; I38-F67 HydrophobicContact CB-CZ 4.01Å; I38-F67 HydrophobicContact CD1-CE1 4.47Å; I38-F67 HydrophobicContact CD1-CZ 4.1Å; I38-F67 HydrophobicContact CG2-CD1 4.08Å; I38-F67 HydrophobicContact CG2-CD2 3.51Å; I38-F67 HydrophobicContact CG2-CE1 4.13Å; I38-F67 HydrophobicContact CG2-CE2 3.58Å; I38-F67 HydrophobicContact CG2-CG 3.77Å; I38-F67 HydrophobicContact CG2-CZ 3.89Å; I38-F67 WeakPolarHBondContact O-CD2 3.36Å; I38-L150 HydrophobicContact CD1-CD1 3.57Å; I38-L150 HydrophobicContact CD1-CG 4.27Å |
| 39 | A | 95.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 146.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V41 K54 S56 F66 F67 | A39-V41 HydrophobicContact CB-CG2 4.32Å; A39-K54 VanDerWaalsContact CB-O 3.3Å; A39-K54 WeakPolarHBondContact CB-O 3.41Å; A39-S56 PolarHBondContact N-OG 2.93Å; A39-F66 HydrophobicContact CB-CD1 4.32Å; A39-F66 CarbonylContact O-C 3.58Å; A39-F66 VanDerWaalsContact O-CA 3.25Å; A39-F66 WeakPolarHBondContact O-CA 3.38Å; A39-F67 PolarHBondContact O-N 2.83Å |
| 40 | E | 96.2 | Very high | 92.4 | Very high | 99 Ų | 99 | 54.8 Ų | 54.8 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 119.4 | 170 | -170.4 | 178.8 | 150.7 | 0 | 0 | 110.9 | K27 F67 Y148 | K27-E40 WeakPolarHBondContact CE-OE2 3.34Å; K27-E40 IonicContact NZ-OE2 3.86Å; K27-E40 PolarHBondContact NZ-OE2 2.99Å; E40-F67 WeakPolarHBondContact CA-O 3.44Å; E40-F67 HydrophobicContact CG-CB 4.47Å; E40-Y148 HydrophobicContact CG-CE1 4.18Å; E40-Y148 PolarHBondContact OE1-OH 3.38Å |
| 41 | V | 95.4 | Very high | 92.4 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | trans | -143.7 | 129.8 | -177.2 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | A39 L43 F46 L51 K54 F66 F67 C68 | A39-V41 HydrophobicContact CB-CG2 4.32Å; V41-L43 PolarHBondContact O-N 3.2Å; V41-F46 HydrophobicContact CG1-CD2 4.02Å; V41-F46 HydrophobicContact CG1-CE2 3.95Å; V41-L51 HydrophobicContact CG1-CD2 4.09Å; V41-K54 HydrophobicContact CG1-CD 4.08Å; V41-K54 HydrophobicContact CG2-CB 4.04Å; V41-F66 HydrophobicContact CB-CD1 3.98Å; V41-F66 HydrophobicContact CG2-CD1 3.59Å; V41-F66 HydrophobicContact CG2-CE1 4.06Å; V41-F67 PolarHBondContact N-O 3.25Å; V41-C68 WeakPolarHBondContact O-CA 3.4Å | ||
| 42 | D | 94.1 | Very high | 92.3 | Very high | 47 Ų | 47 | 50.4 Ų | 50.4 | 25% | 0.251 | 25% | 0.25 | S | C | . | . | trans | -70.5 | 86.4 | 163 | -176.6 | -9.8 | 0 | 0 | 0 | 109.3 | Y44 K45 F46 | D42-Y44 VanDerWaalsContact C-N 3.28Å; D42-Y44 PolarHBondContact O-N 3.37Å; D42-K45 HydrophobicContact CB-CD 4.09Å; D42-K45 PolarHBondContact O-N 3.28Å; D42-K45 WeakPolarHBondContact OD2-CD 3.44Å; D42-K45 WeakPolarHBondContact OD2-CE 3.46Å; D42-K45 IonicContact OD2-NZ 3.25Å; D42-K45 PolarHBondContact OD2-NZ 2.97Å; D42-F46 WeakPolarHBondContact O-CD2 3.5Å | ||
| 43 | L | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -56.4 | -41.3 | -168.7 | -162.5 | 173.9 | 0 | 0 | 0 | 111.7 | V41 K45 F46 L51 C68 W89 M128 C151 I153 | V41-L43 PolarHBondContact O-N 3.2Å; L43-K45 PolarHBondContact O-N 2.93Å; L43-K45 VanDerWaalsContact O-N 3.13Å; L43-F46 PolarHBondContact O-N 3.25Å; L43-L51 HydrophobicContact CD2-CD1 3.61Å; L43-L51 HydrophobicContact CG-CD1 3.89Å; L43-C68 HydrophobicContact CB-CB 4.15Å; L43-W89 HydrophobicContact CD2-CZ2 4.23Å; L43-M128 HydrophobicContact CD1-CE 3.5Å; L43-M128 VanDerWaalsContact CD1-CE 3.5Å; L43-M128 HydrophobicContact CD1-SD 3.93Å; L43-M128 HydrophobicContact CD2-CE 3.47Å; L43-M128 VanDerWaalsContact CD2-CE 3.47Å; L43-M128 HydrophobicContact CG-CE 4.16Å; L43-C151 HydrophobicContact CD1-CB 3.43Å; L43-C151 VanDerWaalsContact CD1-CB 3.43Å; L43-C151 VanDerWaalsContact CD1-SG 3.54Å; L43-I153 HydrophobicContact CD1-CD1 3.86Å; L43-I153 HydrophobicContact CD2-CD1 4.18Å; L43-I153 HydrophobicContact CG-CD1 4.03Å |
| 44 | Y | 93.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -70.7 | -10.9 | -172.5 | -60 | -61.7 | 0 | 0 | 0 | 113.9 | D42 F46 N81 R82 T84 W89 E130 | D42-Y44 VanDerWaalsContact C-N 3.28Å; D42-Y44 PolarHBondContact O-N 3.37Å; Y44-F46 VanDerWaalsContact C-N 3.25Å; Y44-F46 PolarHBondContact O-N 2.9Å; Y44-N81 WeakPolarHBondContact CE2-O 3.25Å; Y44-R82 HydrophobicContact CD1-CB 4.45Å; Y44-R82 HydrophobicContact CD1-CG 4.45Å; Y44-R82 HydrophobicContact CE1-CB 4.09Å; Y44-R82 HydrophobicContact CE1-CG 3.7Å; Y44-R82 PolarHBondContact OH-NE 3.15Å; Y44-T84 WeakPolarHBondContact O-CA 3.49Å; Y44-T84 WeakPolarHBondContact O-CB 3.41Å; Y44-T84 WeakPolarHBondContact O-CG2 3.3Å; Y44-W89 AromaticContact CD1-CD1 3.84Å; Y44-W89 AromaticContact CE1-CD1 3.86Å; Y44-W89 HydrophobicContact CE1-CG 4.43Å; Y44-E130 PolarHBondContact OH-OE2 3.28Å |
| 45 | K | 93.9 | Very high | 93.2 | Very high | 127 Ų | 127 | 47 Ų | 47 | 55% | 0.552 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -72.8 | -14.1 | 170 | -73.1 | 174.6 | 174.4 | 140.9 | 0 | 114 | D42 L43 P85 | D42-K45 HydrophobicContact CB-CD 4.09Å; D42-K45 PolarHBondContact O-N 3.28Å; D42-K45 WeakPolarHBondContact OD2-CD 3.44Å; D42-K45 WeakPolarHBondContact OD2-CE 3.46Å; D42-K45 IonicContact OD2-NZ 3.25Å; D42-K45 PolarHBondContact OD2-NZ 2.97Å; L43-K45 PolarHBondContact O-N 2.93Å; L43-K45 VanDerWaalsContact O-N 3.13Å; K45-P85 VanDerWaalsContact O-CD 3.25Å; K45-P85 WeakPolarHBondContact O-CD 3.38Å; K45-P85 WeakPolarHBondContact O-CG 3.3Å |
| 46 | F | 95.5 | Very high | 93.4 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 26% | 0.263 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -124.7 | 148.4 | -171.6 | -54 | -74.4 | 0 | 0 | 0 | 112.8 | V41 D42 L43 Y44 D50 L51 K54 T84 | V41-F46 HydrophobicContact CG1-CD2 4.02Å; V41-F46 HydrophobicContact CG1-CE2 3.95Å; D42-F46 WeakPolarHBondContact O-CD2 3.5Å; L43-F46 PolarHBondContact O-N 3.25Å; Y44-F46 VanDerWaalsContact C-N 3.25Å; Y44-F46 PolarHBondContact O-N 2.9Å; F46-D50 HydrophobicContact CB-CB 4.32Å; F46-L51 HydrophobicContact CB-CD2 3.75Å; F46-L51 HydrophobicContact CB-CG 4.19Å; F46-L51 HydrophobicContact CD2-CD2 3.96Å; F46-L51 HydrophobicContact CG-CD2 4.16Å; F46-K54 HydrophobicContact CD2-CD 4.16Å; F46-K54 VanDerWaalsContact CE1-CE 3.47Å; F46-K54 HydrophobicContact CE2-CD 4.07Å; F46-K54 HydrophobicContact CG-CD 4.46Å; F46-K54 VanDerWaalsContact CG-CE 3.47Å; F46-K54 HydrophobicContact CZ-CD 4.29Å; F46-T84 WeakPolarHBondContact O-CG2 3.48Å |
| 47 | P | 95 | Very high | 93.3 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.013 | 20% | 0.2 | C | C | . | . | trans | -70.2 | 158.6 | 161.5 | 33.5 | -35.3 | 0 | 0 | 0 | 110.8 | W49 D50 N86 F113 | P47-W49 VanDerWaalsContact C-N 3.29Å; P47-W49 HydrophobicContact CB-CD2 3.86Å; P47-W49 VanDerWaalsContact CB-CE2 3.44Å; P47-W49 HydrophobicContact CB-CE3 4.16Å; P47-W49 HydrophobicContact CB-CH2 3.79Å; P47-W49 HydrophobicContact CB-CZ2 3.41Å; P47-W49 VanDerWaalsContact CB-CZ2 3.41Å; P47-W49 HydrophobicContact CB-CZ3 4.14Å; P47-W49 HydrophobicContact CG-CD2 4.23Å; P47-W49 HydrophobicContact CG-CZ2 3.8Å; P47-W49 PolarHBondContact O-N 2.84Å; P47-D50 VanDerWaalsContact CD-OD2 3.25Å; P47-D50 WeakPolarHBondContact CD-OD2 3.45Å; P47-D50 HydrophobicContact CG-CB 4.06Å; P47-D50 VanDerWaalsContact CG-OD2 3.23Å; P47-D50 WeakPolarHBondContact CG-OD2 3.29Å; P47-D50 PolarHBondContact O-N 2.94Å; P47-D50 VanDerWaalsContact O-N 3.17Å; P47-N86 HydrophobicContact CB-CB 4.21Å; P47-F113 HydrophobicContact CB-CZ 4.34Å | ||
| 48 | P | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -65.2 | -27.8 | -170.4 | 24.7 | -34.9 | 0 | 0 | 0 | 114.8 | D50 L51 W89 F113 W126 | P48-D50 VanDerWaalsContact C-N 3.35Å; P48-L51 WeakPolarHBondContact O-CB 3.28Å; P48-L51 PolarHBondContact O-N 3.43Å; P48-W89 HydrophobicContact CB-CH2 3.83Å; P48-W89 HydrophobicContact CB-CZ2 3.77Å; P48-W89 HydrophobicContact CG-CH2 4.41Å; P48-W89 HydrophobicContact CG-CZ2 4.32Å; P48-F113 HydrophobicContact CG-CB 4.04Å; P48-F113 HydrophobicContact CG-CD1 3.69Å; P48-F113 HydrophobicContact CG-CD2 4.22Å; P48-F113 HydrophobicContact CG-CE1 4.15Å; P48-F113 HydrophobicContact CG-CG 3.73Å; P48-W126 HydrophobicContact CB-CB 3.87Å; P48-W126 HydrophobicContact CB-CD2 3.59Å; P48-W126 HydrophobicContact CB-CE3 3.76Å; P48-W126 HydrophobicContact CB-CG 3.65Å; P48-W126 HydrophobicContact CB-CZ3 4.41Å; P48-W126 HydrophobicContact CG-CB 3.71Å; P48-W126 HydrophobicContact CG-CD2 3.82Å; P48-W126 HydrophobicContact CG-CE3 4.49Å; P48-W126 HydrophobicContact CG-CG 3.42Å; P48-W126 VanDerWaalsContact CG-CG 3.42Å |
| 49 | W | 94.2 | Very high | 91.9 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -72.9 | -24.7 | 178.1 | 53.3 | 81.3 | 0 | 0 | 0 | 113.4 | P47 L51 N86 F113 E115 W126 | P47-W49 VanDerWaalsContact C-N 3.29Å; P47-W49 HydrophobicContact CB-CD2 3.86Å; P47-W49 VanDerWaalsContact CB-CE2 3.44Å; P47-W49 HydrophobicContact CB-CE3 4.16Å; P47-W49 HydrophobicContact CB-CH2 3.79Å; P47-W49 HydrophobicContact CB-CZ2 3.41Å; P47-W49 VanDerWaalsContact CB-CZ2 3.41Å; P47-W49 HydrophobicContact CB-CZ3 4.14Å; P47-W49 HydrophobicContact CG-CD2 4.23Å; P47-W49 HydrophobicContact CG-CZ2 3.8Å; P47-W49 PolarHBondContact O-N 2.84Å; W49-L51 VanDerWaalsContact C-N 3.26Å; W49-L51 PolarHBondContact O-N 3.44Å; W49-N86 HydrophobicContact CH2-CB 4.24Å; W49-N86 HydrophobicContact CZ2-CB 4.13Å; W49-F113 HydrophobicContact CH2-CE1 4.02Å; W49-F113 HydrophobicContact CZ3-CD1 4.27Å; W49-F113 AromaticContact CZ3-CE1 3.73Å; W49-F113 HydrophobicContact CZ3-CE1 3.73Å; W49-E115 HydrophobicContact CH2-CG 4.23Å; W49-W126 HydrophobicContact CB-CH2 4.42Å; W49-W126 HydrophobicContact CB-CZ2 3.7Å; W49-W126 AromaticContact CE3-NE1 3.9Å |
| 50 | D | 95.3 | Very high | 91.3 | Very high | 63 Ų | 63 | 53.9 Ų | 53.9 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -80.7 | -4.8 | 175.6 | -68.2 | -3.4 | 0 | 0 | 0 | 112.8 | F46 P47 P48 K54 | F46-D50 HydrophobicContact CB-CB 4.32Å; P47-D50 VanDerWaalsContact CD-OD2 3.25Å; P47-D50 WeakPolarHBondContact CD-OD2 3.45Å; P47-D50 HydrophobicContact CG-CB 4.06Å; P47-D50 VanDerWaalsContact CG-OD2 3.23Å; P47-D50 WeakPolarHBondContact CG-OD2 3.29Å; P47-D50 PolarHBondContact O-N 2.94Å; P47-D50 VanDerWaalsContact O-N 3.17Å; P48-D50 VanDerWaalsContact C-N 3.35Å; D50-K54 WeakPolarHBondContact O-CE 3.27Å; D50-K54 WeakPolarHBondContact O-CG 3.44Å; D50-K54 PolarHBondContact O-NZ 2.99Å |
| 51 | L | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -87.4 | -28.1 | -175.6 | -67.3 | 173.2 | 0 | 0 | 0 | 112.9 | V41 L43 F46 P48 W49 D53 K54 F66 I153 | V41-L51 HydrophobicContact CG1-CD2 4.09Å; L43-L51 HydrophobicContact CD2-CD1 3.61Å; L43-L51 HydrophobicContact CG-CD1 3.89Å; F46-L51 HydrophobicContact CB-CD2 3.75Å; F46-L51 HydrophobicContact CB-CG 4.19Å; F46-L51 HydrophobicContact CD2-CD2 3.96Å; F46-L51 HydrophobicContact CG-CD2 4.16Å; P48-L51 WeakPolarHBondContact O-CB 3.28Å; P48-L51 PolarHBondContact O-N 3.43Å; W49-L51 VanDerWaalsContact C-N 3.26Å; W49-L51 PolarHBondContact O-N 3.44Å; L51-D53 VanDerWaalsContact C-N 3.26Å; L51-D53 PolarHBondContact O-N 2.58Å; L51-K54 HydrophobicContact CD2-CD 4.29Å; L51-K54 WeakPolarHBondContact O-CA 3.48Å; L51-K54 WeakPolarHBondContact O-CB 3.3Å; L51-K54 PolarHBondContact O-N 3.45Å; L51-F66 HydrophobicContact CB-CE2 4.15Å; L51-F66 HydrophobicContact CB-CZ 4.01Å; L51-F66 VanDerWaalsContact O-CZ 3.24Å; L51-F66 WeakPolarHBondContact O-CZ 3.37Å; L51-I153 HydrophobicContact CB-CD1 4.49Å; L51-I153 HydrophobicContact CD1-CD1 3.33Å; L51-I153 HydrophobicContact CG-CD1 4.49Å |
| 52 | C | 90.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -53.3 | -45.8 | 179 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | K54 S55 W64 | C52-K54 PolarHBondContact O-N 3.29Å; C52-K54 VanDerWaalsContact O-N 3.13Å; C52-S55 VanDerWaalsContact O-CB 3.3Å; C52-S55 WeakPolarHBondContact O-CB 3.38Å; C52-S55 PolarHBondContact O-N 3.12Å; C52-W64 HydrophobicContact CB-CD2 4.19Å; C52-W64 HydrophobicContact CB-CZ2 4.01Å; C52-W64 VanDerWaalsContact SG-CH2 3.57Å; C52-W64 VanDerWaalsContact SG-CZ2 3.6Å |
| 53 | D | 91.9 | Very high | 90.4 | Very high | 141 Ų | 141 | 52 Ų | 52 | 75% | 0.754 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -65.7 | -13.3 | 178.7 | -61 | -24.4 | 0 | 0 | 0 | 114.2 | L51 | L51-D53 VanDerWaalsContact C-N 3.26Å; L51-D53 PolarHBondContact O-N 2.58Å |
| 54 | K | 93.5 | Very high | 90.5 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -99.1 | -2.1 | -179.4 | -45.1 | -166.8 | -163.4 | -31.5 | 0 | 113 | A39 V41 F46 D50 L51 C52 F66 | A39-K54 VanDerWaalsContact CB-O 3.3Å; A39-K54 WeakPolarHBondContact CB-O 3.41Å; V41-K54 HydrophobicContact CG1-CD 4.08Å; V41-K54 HydrophobicContact CG2-CB 4.04Å; F46-K54 HydrophobicContact CD2-CD 4.16Å; F46-K54 VanDerWaalsContact CE1-CE 3.47Å; F46-K54 HydrophobicContact CE2-CD 4.07Å; F46-K54 HydrophobicContact CG-CD 4.46Å; F46-K54 VanDerWaalsContact CG-CE 3.47Å; F46-K54 HydrophobicContact CZ-CD 4.29Å; D50-K54 WeakPolarHBondContact O-CE 3.27Å; D50-K54 WeakPolarHBondContact O-CG 3.44Å; D50-K54 PolarHBondContact O-NZ 2.99Å; L51-K54 HydrophobicContact CD2-CD 4.29Å; L51-K54 WeakPolarHBondContact O-CA 3.48Å; L51-K54 WeakPolarHBondContact O-CB 3.3Å; L51-K54 PolarHBondContact O-N 3.45Å; C52-K54 PolarHBondContact O-N 3.29Å; C52-K54 VanDerWaalsContact O-N 3.13Å; K54-F66 HydrophobicContact CB-CE1 4.18Å |
| 55 | S | 92.6 | Very high | 90.6 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | trans | -66.9 | 136.9 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | C52 L57 | C52-S55 VanDerWaalsContact O-CB 3.3Å; C52-S55 WeakPolarHBondContact O-CB 3.38Å; C52-S55 PolarHBondContact O-N 3.12Å; S55-L57 WeakPolarHBondContact OG-CB 3.27Å; S55-L57 PolarHBondContact OG-N 3.39Å; S55-L57 PolarHBondContact OG-O 3.36Å | ||
| 56 | S | 89.1 | Confident | 90.8 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -77.2 | -30.7 | 168.6 | 60.7 | 0 | 0 | 0 | 0 | 111.9 | D36 A37 I38 A39 R58 | D36-S56 VanDerWaalsContact O-CB 3.28Å; D36-S56 WeakPolarHBondContact O-CB 3.47Å; D36-S56 PolarHBondContact O-OG 3.08Å; A37-S56 VanDerWaalsContact C-OG 3.26Å; I38-S56 PolarHBondContact N-OG 3.07Å; A39-S56 PolarHBondContact N-OG 2.93Å; S56-R58 PolarHBondContact O-N 2.82Å |
| 57 | L | 85.5 | Confident | 90.9 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 18% | 0.178 | 22% | 0.216 | C | C | . | . | trans | -57.6 | 120.9 | 172.5 | -66.7 | 172.5 | 0 | 0 | 0 | 109.9 | F12 A37 S55 S59 F65 | F12-L57 HydrophobicContact CB-CD1 4.17Å; F12-L57 HydrophobicContact CB-CD2 3.89Å; F12-L57 HydrophobicContact CD1-CD1 3.78Å; F12-L57 HydrophobicContact CD1-CD2 4.35Å; F12-L57 HydrophobicContact CG-CD1 4.19Å; F12-L57 HydrophobicContact CG-CD2 4.01Å; A37-L57 HydrophobicContact CB-CD2 3.8Å; A37-L57 WeakPolarHBondContact O-CG 3.47Å; S55-L57 WeakPolarHBondContact OG-CB 3.27Å; S55-L57 PolarHBondContact OG-N 3.39Å; S55-L57 PolarHBondContact OG-O 3.36Å; L57-S59 PolarHBondContact O-N 3.47Å; L57-F65 HydrophobicContact CD1-CD2 3.7Å; L57-F65 HydrophobicContact CD1-CE2 4.24Å | ||
| 58 | R | 76.5 | Confident | 90.9 | Very high | 173 Ų | 173 | 44.5 Ų | 44.5 | 65% | 0.653 | 22% | 0.216 | S | C | * | . | trans | -89.7 | 18.6 | 172.4 | -56.8 | -50.5 | -169.8 | -173.9 | 0.9 | 113.1 | S56 | S56-R58 PolarHBondContact O-N 2.82Š| ||
| 59 | S | 78.9 | Confident | 90.8 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 33% | 0.329 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -72.7 | 158.8 | 172.3 | -169 | 0 | 0 | 0 | 0 | 111.3 | L57 D61 | L57-S59 PolarHBondContact O-N 3.47Å; S59-D61 WeakPolarHBondContact CB-OD2 3.43Å; S59-D61 PolarHBondContact OG-N 3.21Å; S59-D61 PolarHBondContact OG-OD1 2.87Å; S59-D61 PolarHBondContact OG-OD2 2.99Å |
| 60 | K | 81.8 | Confident | 90.6 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | trans | -84.9 | 4.5 | 170.7 | -72.2 | 168.1 | 174.6 | 165.8 | 0 | 112.9 | M1 A169 E175 | M1-K60 HydrophobicContact SD-CD 4.31Å; M1-K60 WeakPolarHBondContact SD-CE 3.23Å; M1-K60 HydrophobicContact SD-CG 3.8Å; K60-A169 HydrophobicContact CB-CB 3.39Å; K60-A169 WeakPolarHBondContact O-CB 3.42Å; K60-E175 IonicContact NZ-OE1 2.64Å; K60-E175 PolarHBondContact NZ-OE1 2.72Å; K60-E175 IonicContact NZ-OE2 3.55Å; K60-E175 PolarHBondContact NZ-OE2 2.64Å | ||
| 61 | D | 86.2 | Confident | 89.9 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | trans | -63.8 | 150.3 | -177 | -60.7 | -30.9 | 0 | 0 | 0 | 112.6 | R11 S59 E63 G168 A169 | R11-D61 IonicContact CZ-OD1 2.85Å; R11-D61 IonicContact NE-OD1 2.65Å; R11-D61 PolarHBondContact NE-OD1 3.18Å; R11-D61 IonicContact NE-OD2 2.8Å; R11-D61 IonicContact NH2-OD1 3.96Å; R11-D61 PolarHBondContact NH2-OD1 2.97Å; S59-D61 WeakPolarHBondContact CB-OD2 3.43Å; S59-D61 PolarHBondContact OG-N 3.21Å; S59-D61 PolarHBondContact OG-OD1 2.87Å; S59-D61 PolarHBondContact OG-OD2 2.99Å; D61-E63 PolarHBondContact O-N 3.29Å; D61-G168 VanDerWaalsContact OD1-CA 3.31Å; D61-G168 WeakPolarHBondContact OD1-CA 3.31Å; D61-A169 PolarHBondContact OD1-N 3.13Å | ||
| 62 | L | 88.8 | Confident | 89.3 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -90.4 | 22.2 | 179 | -53.9 | 178.9 | 0 | 0 | 0 | 112.2 | W64 F154 Y167 | L62-W64 HydrophobicContact CB-CH2 4.26Å; L62-W64 HydrophobicContact CD2-CH2 4.33Å; L62-W64 HydrophobicContact CD2-CZ2 4.48Å; L62-W64 VanDerWaalsContact O-CZ3 3.28Å; L62-W64 WeakPolarHBondContact O-CZ3 3.45Å; L62-F154 WeakPolarHBondContact O-CA 3.3Å; L62-F154 VanDerWaalsContact O-CB 3.3Å; L62-F154 WeakPolarHBondContact O-CB 3.25Å; L62-Y167 PolarHBondContact N-O 3.18Å |
| 63 | E | 92.7 | Very high | 88.7 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.7 | 176.4 | -47.9 | -166.2 | 126.6 | 0 | 0 | 110.1 | D61 F65 K152 I153 F154 Y167 | D61-E63 PolarHBondContact O-N 3.29Å; E63-F65 HydrophobicContact CB-CE2 4.06Å; E63-K152 WeakPolarHBondContact OE1-CE 3.43Å; E63-K152 IonicContact OE1-NZ 3.23Å; E63-K152 PolarHBondContact OE1-NZ 2.99Å; E63-K152 VanDerWaalsContact OE2-CE 3.29Å; E63-K152 WeakPolarHBondContact OE2-CE 3.42Å; E63-K152 IonicContact OE2-NZ 3.21Å; E63-K152 PolarHBondContact OE2-NZ 3.2Å; E63-I153 CarbonylContact C-O 3.52Å; E63-I153 WeakPolarHBondContact CA-O 3.26Å; E63-F154 HydrophobicContact CG-CB 4.3Å; E63-Y167 HydrophobicContact CG-CD2 4.27Å; E63-Y167 HydrophobicContact CG-CG 4.01Å; E63-Y167 VanDerWaalsContact OE1-CD2 3.28Å; E63-Y167 WeakPolarHBondContact OE1-CD2 3.49Å |
| 64 | W | 95.1 | Very high | 88.2 | Confident | 34 Ų | 34 | 52 Ų | 52 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 141 | -177 | -55.2 | -76 | 0 | 0 | 0 | 110.8 | C52 L62 F66 W126 K152 I153 | C52-W64 HydrophobicContact CB-CD2 4.19Å; C52-W64 HydrophobicContact CB-CZ2 4.01Å; C52-W64 VanDerWaalsContact SG-CH2 3.57Å; C52-W64 VanDerWaalsContact SG-CZ2 3.6Å; L62-W64 HydrophobicContact CB-CH2 4.26Å; L62-W64 HydrophobicContact CD2-CH2 4.33Å; L62-W64 HydrophobicContact CD2-CZ2 4.48Å; L62-W64 VanDerWaalsContact O-CZ3 3.28Å; L62-W64 WeakPolarHBondContact O-CZ3 3.45Å; W64-F66 HydrophobicContact CB-CE2 3.57Å; W64-F66 HydrophobicContact CB-CZ 3.71Å; W64-W126 HydrophobicContact CE3-CZ3 4.27Å; W64-W126 HydrophobicContact CZ3-CH2 4.12Å; W64-W126 AromaticContact CZ3-CZ3 3.69Å; W64-W126 HydrophobicContact CZ3-CZ3 3.69Å; W64-K152 CarbonylContact O-C 3.54Å; W64-K152 WeakPolarHBondContact O-CA 3.26Å; W64-I153 PolarHBondContact N-O 2.89Å; W64-I153 PolarHBondContact O-N 2.82Å |
| 65 | F | 97 | Very high | 87.4 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.4 | -169.8 | -64.7 | -104.9 | 0 | 0 | 0 | 110.9 | F12 P14 L19 I38 L57 E63 C151 K152 | F12-F65 HydrophobicContact CD1-CD1 4.43Å; F12-F65 AromaticContact CD1-CD2 3.8Å; F12-F65 HydrophobicContact CD1-CD2 3.8Å; F12-F65 HydrophobicContact CD1-CE1 4.29Å; F12-F65 AromaticContact CD1-CE2 3.66Å; F12-F65 HydrophobicContact CD1-CE2 3.66Å; F12-F65 HydrophobicContact CD1-CG 4.19Å; F12-F65 AromaticContact CD1-CZ 3.9Å; F12-F65 HydrophobicContact CD1-CZ 3.9Å; F12-F65 HydrophobicContact CE1-CB 4.35Å; F12-F65 AromaticContact CE1-CD1 3.78Å; F12-F65 HydrophobicContact CE1-CD1 3.78Å; F12-F65 AromaticContact CE1-CD2 3.87Å; F12-F65 HydrophobicContact CE1-CD2 3.87Å; F12-F65 AromaticContact CE1-CE1 3.87Å; F12-F65 HydrophobicContact CE1-CE1 3.87Å; F12-F65 AromaticContact CE1-CE2 3.99Å; F12-F65 HydrophobicContact CE1-CE2 3.99Å; F12-F65 AromaticContact CE1-CG 3.75Å; F12-F65 HydrophobicContact CE1-CG 3.75Å; F12-F65 AromaticContact CE1-CZ 3.98Å; F12-F65 HydrophobicContact CE1-CZ 3.98Å; P14-F65 HydrophobicContact CG-CE1 4.11Å; P14-F65 HydrophobicContact CG-CZ 4.42Å; L19-F65 HydrophobicContact CD1-CE1 4.23Å; L19-F65 HydrophobicContact CD2-CD1 3.98Å; L19-F65 HydrophobicContact CD2-CE1 3.9Å; I38-F65 HydrophobicContact CD1-CB 4.38Å; I38-F65 HydrophobicContact CG1-CB 3.99Å; I38-F65 HydrophobicContact CG2-CB 4.29Å; L57-F65 HydrophobicContact CD1-CD2 3.7Å; L57-F65 HydrophobicContact CD1-CE2 4.24Å; E63-F65 HydrophobicContact CB-CE2 4.06Å; F65-C151 WeakPolarHBondContact CA-O 3.33Å; F65-K152 HydrophobicContact CD1-CB 4Å; F65-K152 HydrophobicContact CD1-CD 4.49Å; F65-K152 HydrophobicContact CD1-CG 4.27Å; F65-K152 HydrophobicContact CE1-CB 3.95Å; F65-K152 HydrophobicContact CE1-CD 3.62Å; F65-K152 HydrophobicContact CE1-CG 3.86Å; F65-K152 HydrophobicContact CZ-CD 3.69Å; F65-K152 HydrophobicContact CZ-CG 4.03Å |
| 66 | F | 97.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.4 | -175.6 | -54.2 | -78.7 | 0 | 0 | 0 | 112.8 | I38 A39 V41 L51 K54 W64 L150 C151 I153 | I38-F66 VanDerWaalsContact CG2-C 3.42Å; A39-F66 HydrophobicContact CB-CD1 4.32Å; A39-F66 CarbonylContact O-C 3.58Å; A39-F66 VanDerWaalsContact O-CA 3.25Å; A39-F66 WeakPolarHBondContact O-CA 3.38Å; V41-F66 HydrophobicContact CB-CD1 3.98Å; V41-F66 HydrophobicContact CG2-CD1 3.59Å; V41-F66 HydrophobicContact CG2-CE1 4.06Å; L51-F66 HydrophobicContact CB-CE2 4.15Å; L51-F66 HydrophobicContact CB-CZ 4.01Å; L51-F66 VanDerWaalsContact O-CZ 3.24Å; L51-F66 WeakPolarHBondContact O-CZ 3.37Å; K54-F66 HydrophobicContact CB-CE1 4.18Å; W64-F66 HydrophobicContact CB-CE2 3.57Å; W64-F66 HydrophobicContact CB-CZ 3.71Å; F66-L150 CarbonylContact O-C 3.58Å; F66-L150 WeakPolarHBondContact O-CA 3.14Å; F66-C151 PolarHBondContact N-O 3.46Å; F66-C151 PolarHBondContact O-N 3.03Å; F66-I153 HydrophobicContact CD2-CD1 3.63Å; F66-I153 HydrophobicContact CD2-CG1 4.08Å; F66-I153 HydrophobicContact CE2-CD1 3.68Å; F66-I153 HydrophobicContact CE2-CG1 4.17Å |
| 67 | F | 97.4 | Very high | 86.2 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.6 | 157.8 | -65.6 | -60.2 | 0 | 0 | 0 | 108.5 | L24 K27 H33 I38 A39 E40 V41 Y148 L150 | L24-F67 HydrophobicContact CD1-CD1 4.36Å; L24-F67 HydrophobicContact CD1-CE1 4.44Å; K27-F67 HydrophobicContact CB-CD1 4.05Å; K27-F67 HydrophobicContact CB-CD2 4.49Å; K27-F67 HydrophobicContact CB-CE1 3.64Å; K27-F67 HydrophobicContact CB-CE2 4.11Å; K27-F67 HydrophobicContact CB-CG 4.46Å; K27-F67 HydrophobicContact CB-CZ 3.68Å; K27-F67 HydrophobicContact CD-CD2 3.97Å; K27-F67 HydrophobicContact CD-CE2 4.15Å; K27-F67 HydrophobicContact CD-CG 4.21Å; K27-F67 HydrophobicContact CG-CB 4.46Å; K27-F67 HydrophobicContact CG-CD1 3.78Å; K27-F67 HydrophobicContact CG-CD2 3.99Å; K27-F67 HydrophobicContact CG-CE1 3.91Å; K27-F67 HydrophobicContact CG-CE2 4.11Å; K27-F67 HydrophobicContact CG-CG 3.82Å; K27-F67 HydrophobicContact CG-CZ 4.08Å; H33-F67 AromaticContact CE1-CE2 3.83Å; H33-F67 AromaticContact CE1-CZ 3.76Å; H33-F67 AromaticContact NE2-CZ 3.87Å; I38-F67 HydrophobicContact CB-CD2 3.96Å; I38-F67 HydrophobicContact CB-CE2 3.6Å; I38-F67 HydrophobicContact CB-CZ 4.01Å; I38-F67 HydrophobicContact CD1-CE1 4.47Å; I38-F67 HydrophobicContact CD1-CZ 4.1Å; I38-F67 HydrophobicContact CG2-CD1 4.08Å; I38-F67 HydrophobicContact CG2-CD2 3.51Å; I38-F67 HydrophobicContact CG2-CE1 4.13Å; I38-F67 HydrophobicContact CG2-CE2 3.58Å; I38-F67 HydrophobicContact CG2-CG 3.77Å; I38-F67 HydrophobicContact CG2-CZ 3.89Å; I38-F67 WeakPolarHBondContact O-CD2 3.36Å; A39-F67 PolarHBondContact O-N 2.83Å; E40-F67 WeakPolarHBondContact CA-O 3.44Å; E40-F67 HydrophobicContact CG-CB 4.47Å; V41-F67 PolarHBondContact N-O 3.25Å; F67-Y148 HydrophobicContact CB-CD1 4.3Å; F67-L150 HydrophobicContact CD1-CB 4.35Å; F67-L150 HydrophobicContact CE1-CB 4.44Å; F67-L150 HydrophobicContact CE1-CD1 3.96Å; F67-L150 HydrophobicContact CE1-CG 4.4Å |
| 68 | C | 95.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 125.1 | 176.5 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | V41 L43 Y148 V149 | V41-C68 WeakPolarHBondContact O-CA 3.4Å; L43-C68 HydrophobicContact CB-CB 4.15Å; C68-Y148 WeakPolarHBondContact O-CA 3.48Å; C68-V149 HydrophobicContact CB-CG2 3.89Å; C68-V149 PolarHBondContact N-O 2.93Å; C68-V149 PolarHBondContact O-N 2.89Å |
| 69 | P | 93.6 | Very high | 86.1 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 139.9 | 164.6 | -23.8 | 33.9 | 0 | 0 | 0 | 110.5 | D71 Y148 | P69-D71 PolarHBondContact O-N 2.86Å; P69-D71 VanDerWaalsContact O-N 3.12Å; P69-Y148 HydrophobicContact CG-CD1 4.43Å; P69-Y148 HydrophobicContact CG-CE1 3.98Å |
| 70 | R | 89 | Confident | 86.4 | Confident | 54 Ų | 54 | 63.9 Ų | 63.9 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | trans | -87 | 86.1 | -169.8 | -170.3 | 165.8 | 171.4 | -98 | 30.1 | 113.2 | K72 T80 D146 A147 V149 | R70-K72 PolarHBondContact O-N 3.12Å; R70-T80 HydrophobicContact CG-CG2 4.01Å; R70-D146 WeakPolarHBondContact CB-O 3.29Å; R70-D146 WeakPolarHBondContact CD-O 3.46Å; R70-D146 IonicContact CZ-OD1 2.86Å; R70-D146 IonicContact CZ-OD2 3.11Å; R70-D146 IonicContact NE-OD1 3.97Å; R70-D146 IonicContact NH1-OD1 2.64Å; R70-D146 PolarHBondContact NH1-OD1 3.45Å; R70-D146 IonicContact NH1-OD2 2.71Å; R70-D146 PolarHBondContact NH1-OD2 2.75Å; R70-D146 IonicContact NH2-OD1 3.31Å; R70-D146 PolarHBondContact NH2-OD1 2.79Å; R70-D146 IonicContact NH2-OD2 2.7Å; R70-A147 PolarHBondContact N-O 2.88Å; R70-A147 VanDerWaalsContact N-O 3.13Å; R70-V149 HydrophobicContact CG-CG1 4.39Å | ||
| 71 | D | 82.2 | Confident | 86.6 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 33% | 0.332 | 32% | 0.315 | S | S | . | . | trans | -62.4 | 106.3 | 174.3 | -176.2 | 2.4 | 0 | 0 | 0 | 112 | P69 T80 N81 | P69-D71 PolarHBondContact O-N 2.86Å; P69-D71 VanDerWaalsContact O-N 3.12Å; D71-T80 CarbonylContact O-C 3.59Å; D71-T80 WeakPolarHBondContact O-CA 3.46Å; D71-T80 VanDerWaalsContact O-CB 3.29Å; D71-T80 WeakPolarHBondContact O-CB 3.47Å; D71-T80 WeakPolarHBondContact O-CG2 3.39Å; D71-N81 HydrophobicContact CB-CB 4.24Å; D71-N81 VanDerWaalsContact CG-CB 3.5Å; D71-N81 PolarHBondContact O-N 2.9Å; D71-N81 WeakPolarHBondContact OD2-CB 3.4Å; D71-N81 PolarHBondContact OD2-ND2 3.39Å | ||
| 72 | K | 79.3 | Confident | 87 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 34% | 0.339 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -84.7 | 119.5 | 171.6 | -64.8 | -179.3 | 176.6 | 178.9 | 0 | 109.6 | R70 Y74 P75 D146 | R70-K72 PolarHBondContact O-N 3.12Å; K72-Y74 WeakPolarHBondContact CB-O 3.25Å; K72-Y74 PolarHBondContact O-N 3.42Å; K72-P75 WeakPolarHBondContact CD-O 3.32Å; K72-D146 WeakPolarHBondContact CE-OD2 3.39Å; K72-D146 IonicContact NZ-OD2 2.63Å; K72-D146 PolarHBondContact NZ-OD2 2.62Å |
| 73 | K | 78.4 | Confident | 87.2 | Confident | 101 Ų | 101 | 62 Ų | 62 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -55.8 | -25.6 | 179.9 | -162.1 | -160.2 | 172.6 | -158.9 | 0 | 113.4 | R79 | K73-R79 WeakPolarHBondContact CB-O 3.37Å; K73-R79 PolarHBondContact N-O 3.38Å |
| 74 | Y | 81.2 | Confident | 87.3 | Confident | 135 Ų | 135 | 61.9 Ų | 61.9 | 53% | 0.529 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -138.6 | 143.6 | 170.8 | -49.3 | -69.5 | 0 | 0 | 0 | 107.7 | K72 N76 G77 | K72-Y74 WeakPolarHBondContact CB-O 3.25Å; K72-Y74 PolarHBondContact O-N 3.42Å; Y74-N76 VanDerWaalsContact C-N 3.28Å; Y74-N76 PolarHBondContact O-N 3Å; Y74-N76 VanDerWaalsContact O-N 3.14Å; Y74-G77 WeakPolarHBondContact O-CA 3.34Å; Y74-G77 PolarHBondContact O-N 2.73Å |
| 75 | P | 76.5 | Confident | 87.3 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 73% | 0.727 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -42.7 | -174.7 | -29.9 | 35.7 | 0 | 0 | 0 | 114.3 | K72 | K72-P75 WeakPolarHBondContact CD-O 3.32Š|
| 76 | N | 78.2 | Confident | 87.3 | Confident | 173 Ų | 173 | 68.7 Ų | 68.7 | 93% | 0.925 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 13.9 | 179.3 | -59.3 | -2.8 | 0 | 0 | 0 | 112.7 | Y74 | Y74-N76 VanDerWaalsContact C-N 3.28Å; Y74-N76 PolarHBondContact O-N 3Å; Y74-N76 VanDerWaalsContact O-N 3.14Å |
| 77 | G | 79.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 69 Ų | 69 | 18% | 0.175 | 37% | 0.369 | C | S | . | . | trans | -97.7 | 138.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y74 R79 | Y74-G77 WeakPolarHBondContact O-CA 3.34Å; Y74-G77 PolarHBondContact O-N 2.73Å; G77-R79 VanDerWaalsContact C-N 3.27Å; G77-R79 PolarHBondContact O-N 2.73Å | ||
| 78 | S | 77.1 | Confident | 87.3 | Confident | 116 Ų | 116 | 70.1 Ų | 70.1 | 81% | 0.811 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -76.3 | -11.7 | 171.5 | 57.2 | 0 | 0 | 0 | 0 | 114 | ||
| 79 | R | 82 | Confident | 87.3 | Confident | 178 Ų | 178 | 70.6 Ų | 70.6 | 67% | 0.672 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -87.3 | 117 | -180 | -173.9 | 170.5 | -172.8 | 143 | 2.9 | 110.2 | K73 G77 | K73-R79 WeakPolarHBondContact CB-O 3.37Å; K73-R79 PolarHBondContact N-O 3.38Å; G77-R79 VanDerWaalsContact C-N 3.27Å; G77-R79 PolarHBondContact O-N 2.73Å |
| 80 | T | 85 | Confident | 87.5 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 8% | 0.08 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -70.1 | 152.7 | 170.5 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | R70 D71 R82 | R70-T80 HydrophobicContact CG-CG2 4.01Å; D71-T80 CarbonylContact O-C 3.59Å; D71-T80 WeakPolarHBondContact O-CA 3.46Å; D71-T80 VanDerWaalsContact O-CB 3.29Å; D71-T80 WeakPolarHBondContact O-CB 3.47Å; D71-T80 WeakPolarHBondContact O-CG2 3.39Å; T80-R82 PolarHBondContact OG1-NE 3.01Å; T80-R82 PolarHBondContact OG1-NH1 2.88Å; T80-R82 PolarHBondContact OG1-NH2 3.35Å; T80-R82 VanDerWaalsContact OG1-NH2 3.11Å |
| 81 | N | 87.3 | Confident | 87.8 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 30% | 0.299 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 144.1 | 161.6 | -174.8 | 16.4 | 0 | 0 | 0 | 109.2 | Y44 D71 A83 | Y44-N81 WeakPolarHBondContact CE2-O 3.25Å; D71-N81 HydrophobicContact CB-CB 4.24Å; D71-N81 VanDerWaalsContact CG-CB 3.5Å; D71-N81 PolarHBondContact O-N 2.9Å; D71-N81 WeakPolarHBondContact OD2-CB 3.4Å; D71-N81 PolarHBondContact OD2-ND2 3.39Å; N81-A83 PolarHBondContact OD1-N 3.36Å |
| 82 | R | 93.2 | Very high | 88.4 | Confident | 41 Ų | 41 | 73.9 Ų | 73.9 | 16% | 0.155 | 40% | 0.395 | C | S | . | . | trans | -150.9 | 14.7 | -175.6 | -69.4 | -151.2 | -176.2 | 98.1 | -3.6 | 113.8 | Y44 T80 Y88 W89 E130 | Y44-R82 HydrophobicContact CD1-CB 4.45Å; Y44-R82 HydrophobicContact CD1-CG 4.45Å; Y44-R82 HydrophobicContact CE1-CB 4.09Å; Y44-R82 HydrophobicContact CE1-CG 3.7Å; Y44-R82 PolarHBondContact OH-NE 3.15Å; T80-R82 PolarHBondContact OG1-NE 3.01Å; T80-R82 PolarHBondContact OG1-NH1 2.88Å; T80-R82 PolarHBondContact OG1-NH2 3.35Å; T80-R82 VanDerWaalsContact OG1-NH2 3.11Å; R82-Y88 WeakPolarHBondContact O-CA 3.41Å; R82-W89 HydrophobicContact CB-CB 4.21Å; R82-W89 PolarHBondContact O-N 3.45Å; R82-E130 IonicContact CZ-OE1 3.91Å; R82-E130 IonicContact CZ-OE2 3.2Å; R82-E130 VanDerWaalsContact CZ-OE2 3.31Å; R82-E130 IonicContact NE-OE2 3.08Å; R82-E130 PolarHBondContact NE-OE2 3.45Å; R82-E130 VanDerWaalsContact NE-OE2 3.12Å; R82-E130 IonicContact NH2-OE1 2.71Å; R82-E130 PolarHBondContact NH2-OE1 2.77Å; R82-E130 IonicContact NH2-OE2 3.23Å; R82-E130 PolarHBondContact NH2-OE2 2.99Å | ||
| 83 | A | 94.5 | Very high | 89.1 | Confident | 57 Ų | 57 | 73.9 Ų | 73.9 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 145.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N81 | N81-A83 PolarHBondContact OD1-N 3.36Å |
| 84 | T | 95 | Very high | 89.9 | Confident | 17 Ų | 17 | 78.2 Ų | 78.2 | 10% | 0.104 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 169.1 | 173.5 | 82.4 | 0 | 0 | 0 | 0 | 108.8 | Y44 F46 N86 G87 F113 | Y44-T84 WeakPolarHBondContact O-CA 3.49Å; Y44-T84 WeakPolarHBondContact O-CB 3.41Å; Y44-T84 WeakPolarHBondContact O-CG2 3.3Å; F46-T84 WeakPolarHBondContact O-CG2 3.48Å; T84-N86 PolarHBondContact O-N 3.22Å; T84-G87 PolarHBondContact N-O 2.84Å; T84-G87 PolarHBondContact O-N 2.88Å; T84-G87 VanDerWaalsContact O-O 3.08Å; T84-G87 PolarHBondContact OG1-N 2.71Å; T84-F113 HydrophobicContact CG2-CE2 3.94Å; T84-F113 WeakPolarHBondContact OG1-CE2 3.44Å |
| 85 | P | 94.5 | Very high | 90.7 | Very high | 102 Ų | 102 | 73.9 Ų | 73.9 | 66% | 0.662 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.6 | -178.3 | -26.2 | 35.8 | 0 | 0 | 0 | 114 | K45 | K45-P85 VanDerWaalsContact O-CD 3.25Å; K45-P85 WeakPolarHBondContact O-CD 3.38Å; K45-P85 WeakPolarHBondContact O-CG 3.3Å |
| 86 | N | 96.4 | Very high | 91.7 | Very high | 77 Ų | 77 | 76.4 Ų | 76.4 | 41% | 0.412 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -1.1 | -176.2 | -58.7 | 68.4 | 0 | 0 | 0 | 113.7 | P47 W49 T84 G116 | P47-N86 HydrophobicContact CB-CB 4.21Å; W49-N86 HydrophobicContact CH2-CB 4.24Å; W49-N86 HydrophobicContact CZ2-CB 4.13Å; T84-N86 PolarHBondContact O-N 3.22Å; N86-G116 PolarHBondContact O-N 3.45Å |
| 87 | G | 97.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 73.3 Ų | 73.3 | 7% | 0.072 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | -154.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T84 H114 | T84-G87 PolarHBondContact N-O 2.84Å; T84-G87 PolarHBondContact O-N 2.88Å; T84-G87 VanDerWaalsContact O-O 3.08Å; T84-G87 PolarHBondContact OG1-N 2.71Å; G87-H114 CarbonylContact C-O 3.47Å; G87-H114 WeakPolarHBondContact CA-O 3.46Å |
| 88 | Y | 97.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 72.8 Ų | 72.8 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 148.2 | 179.7 | 59.1 | -80.4 | 0 | 0 | 0 | 113.2 | R82 K90 H114 G116 A118 P119 G121 | R82-Y88 WeakPolarHBondContact O-CA 3.41Å; Y88-K90 HydrophobicContact CD2-CB 4.49Å; Y88-K90 HydrophobicContact CE2-CB 4.38Å; Y88-H114 HydrophobicContact CD1-CB 4.14Å; Y88-H114 HydrophobicContact CD2-CB 4.15Å; Y88-H114 HydrophobicContact CE1-CB 3.68Å; Y88-H114 HydrophobicContact CE2-CB 3.69Å; Y88-H114 HydrophobicContact CG-CB 4.37Å; Y88-H114 VanDerWaalsContact CZ-CB 3.43Å; Y88-H114 AromaticContact CZ-CG 3.98Å; Y88-H114 PolarHBondContact N-O 2.69Å; Y88-H114 PolarHBondContact O-N 3.34Å; Y88-G116 WeakPolarHBondContact CD1-O 3.06Å; Y88-G116 WeakPolarHBondContact CE1-O 3.37Å; Y88-A118 HydrophobicContact CD1-CB 3.63Å; Y88-A118 HydrophobicContact CD2-CB 4.27Å; Y88-A118 HydrophobicContact CE1-CB 3.6Å; Y88-A118 HydrophobicContact CE2-CB 4.25Å; Y88-A118 HydrophobicContact CG-CB 3.97Å; Y88-P119 VanDerWaalsContact OH-C 3.27Å; Y88-P119 PolarHBondContact OH-O 3.2Å; Y88-G121 PolarHBondContact OH-N 3.08Å; Y88-G121 VanDerWaalsContact OH-N 3.09Å |
| 89 | W | 97.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 72.7 Ų | 72.7 | 3% | 0.034 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 115.7 | 175 | -65.9 | 96.3 | 0 | 0 | 0 | 111.4 | L43 Y44 P48 R82 L111 F113 W126 M128 I153 | L43-W89 HydrophobicContact CD2-CZ2 4.23Å; Y44-W89 AromaticContact CD1-CD1 3.84Å; Y44-W89 AromaticContact CE1-CD1 3.86Å; Y44-W89 HydrophobicContact CE1-CG 4.43Å; P48-W89 HydrophobicContact CB-CH2 3.83Å; P48-W89 HydrophobicContact CB-CZ2 3.77Å; P48-W89 HydrophobicContact CG-CH2 4.41Å; P48-W89 HydrophobicContact CG-CZ2 4.32Å; R82-W89 HydrophobicContact CB-CB 4.21Å; R82-W89 PolarHBondContact O-N 3.45Å; W89-L111 HydrophobicContact CB-CB 4.32Å; W89-L111 HydrophobicContact CB-CD2 4.03Å; W89-L111 HydrophobicContact CE3-CB 4.08Å; W89-F113 HydrophobicContact CD2-CB 4.18Å; W89-F113 AromaticContact CD2-CD2 3.91Å; W89-F113 HydrophobicContact CD2-CD2 3.91Å; W89-F113 AromaticContact CE2-CD2 3.73Å; W89-F113 HydrophobicContact CE3-CB 3.84Å; W89-F113 HydrophobicContact CE3-CD2 4.44Å; W89-F113 HydrophobicContact CG-CD2 4.22Å; W89-F113 HydrophobicContact CH2-CB 4.03Å; W89-F113 HydrophobicContact CZ2-CB 4.33Å; W89-F113 HydrophobicContact CZ2-CD2 4.16Å; W89-F113 HydrophobicContact CZ3-CB 3.76Å; W89-F113 AromaticContact NE1-CD2 3.86Å; W89-W126 HydrophobicContact CH2-CB 4.46Å; W89-M128 HydrophobicContact CD2-CE 3.54Å; W89-M128 HydrophobicContact CE3-CB 4.02Å; W89-M128 HydrophobicContact CE3-CE 3.89Å; W89-M128 HydrophobicContact CG-CE 4.06Å; W89-M128 HydrophobicContact CH2-CB 3.98Å; W89-M128 HydrophobicContact CH2-CE 3.88Å; W89-M128 HydrophobicContact CZ2-CE 3.54Å; W89-M128 HydrophobicContact CZ3-CB 3.61Å; W89-M128 HydrophobicContact CZ3-CE 4.06Å; W89-I153 HydrophobicContact CH2-CG2 4.3Å |
| 90 | K | 96 | Very high | 95 | Very high | 111 Ų | 111 | 65.4 Ų | 65.4 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.2 | 177.5 | -170.2 | -178.3 | -179.3 | -179 | 0 | 110.2 | Y88 L111 I112 H114 | Y88-K90 HydrophobicContact CD2-CB 4.49Å; Y88-K90 HydrophobicContact CE2-CB 4.38Å; K90-L111 CarbonylContact O-C 3.55Å; K90-L111 VanDerWaalsContact O-CA 3.29Å; K90-L111 WeakPolarHBondContact O-CA 3.39Å; K90-I112 PolarHBondContact N-O 3.32Å; K90-I112 PolarHBondContact O-N 3.05Å; K90-H114 WeakPolarHBondContact CD-NE2 2.9Å |
| 91 | T | 95.5 | Very high | 95.4 | Very high | 77 Ų | 77 | 69.3 Ų | 69.3 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 141 | 175.5 | 52.6 | 0 | 0 | 0 | 0 | 111.7 | K109 L111 | T91-K109 HydrophobicContact CG2-CD 3.91Å; T91-K109 HydrophobicContact CG2-CG 4.44Å; T91-L111 HydrophobicContact CG2-CD2 4.06Å; T91-L111 HydrophobicContact CG2-CG 4.45Å |
| 92 | S | 95.1 | Very high | 95.5 | Very high | 44 Ų | 44 | 72.5 Ų | 72.5 | 31% | 0.308 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.4 | -176.3 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | T110 | S92-T110 PolarHBondContact N-O 2.96Å; S92-T110 WeakPolarHBondContact O-CB 3.34Å |
| 93 | G | 94.2 | Very high | 95.6 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 73.3 | -166.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 94 | K | 96.1 | Very high | 95.7 | Very high | 192 Ų | 192 | 73.9 Ų | 73.9 | 84% | 0.835 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 141.4 | 174.8 | -172.6 | -169.9 | 174.5 | -175.4 | 0 | 109.7 | ||
| 95 | D | 96.6 | Very high | 95.7 | Very high | 45 Ų | 45 | 73.1 Ų | 73.1 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 139.9 | 168.6 | -75.7 | 24.6 | 0 | 0 | 0 | 111 | K108 K109 R132 | D95-K108 WeakPolarHBondContact CA-O 3.29Å; D95-K109 IonicContact OD1-NZ 3.64Å; D95-K109 PolarHBondContact OD1-NZ 3.13Å; D95-K109 IonicContact OD2-NZ 3.54Å; D95-K109 PolarHBondContact OD2-NZ 3.06Å; D95-R132 IonicContact OD2-CZ 3.56Å; D95-R132 VanDerWaalsContact OD2-CZ 3.27Å; D95-R132 IonicContact OD2-NH1 2.73Å; D95-R132 PolarHBondContact OD2-NH1 3.22Å; D95-R132 IonicContact OD2-NH2 3.53Å; D95-R132 PolarHBondContact OD2-NH2 3.48Å |
| 96 | R | 97.7 | Very high | 95.9 | Very high | 164 Ų | 164 | 68.2 Ų | 68.2 | 62% | 0.619 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 139.6 | 173.2 | -61.4 | -177.1 | 179.8 | -170.3 | -1.3 | 109.8 | M107 K108 | R96-M107 CarbonylContact O-C 3.48Å; R96-M107 VanDerWaalsContact O-CA 3.27Å; R96-M107 WeakPolarHBondContact O-CA 3.42Å; R96-K108 HydrophobicContact CB-CB 4.44Å; R96-K108 PolarHBondContact N-O 2.64Å; R96-K108 PolarHBondContact O-N 3.34Å |
| 97 | I | 97.9 | Very high | 95.9 | Very high | 108 Ų | 108 | 66.7 Ų | 66.7 | 55% | 0.554 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 139 | 172.9 | -60.4 | 172.9 | 0 | 0 | 0 | 108.3 | M99 T104 M107 | I97-M99 HydrophobicContact CG2-CG 3.97Å; I97-T104 HydrophobicContact CG2-CG2 3.87Å; I97-T104 WeakPolarHBondContact CG2-OG1 3.11Å; I97-M107 HydrophobicContact CG1-CG 4.19Å; I97-M107 HydrophobicContact CG1-SD 4.28Å |
| 98 | I | 97.8 | Very high | 96 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.4 | 174.3 | -61.7 | 167.7 | 0 | 0 | 0 | 107.4 | D16 V17 V20 V105 G106 K108 Y131 | D16-I98 HydrophobicContact CB-CD1 4.07Å; D16-I98 HydrophobicContact CB-CG1 4.25Å; V17-I98 HydrophobicContact CB-CG2 4.46Å; V17-I98 HydrophobicContact CG2-CG2 3.92Å; V20-I98 HydrophobicContact CG2-CD1 3.61Å; V20-I98 HydrophobicContact CG2-CG2 4.47Å; I98-V105 HydrophobicContact CB-CG2 4.35Å; I98-V105 HydrophobicContact CG2-CG2 3.77Å; I98-V105 WeakPolarHBondContact O-CG2 3.24Å; I98-V105 PolarHBondContact O-N 3.47Å; I98-G106 PolarHBondContact N-O 3.09Å; I98-G106 PolarHBondContact O-N 3.35Å; I98-K108 HydrophobicContact CD1-CB 3.92Å; I98-K108 HydrophobicContact CG1-CB 4.44Å; I98-Y131 HydrophobicContact CD1-CD1 3.64Å; I98-Y131 HydrophobicContact CD1-CE1 3.96Å |
| 99 | M | 96.9 | Very high | 96 | Very high | 114 Ų | 114 | 67.2 Ų | 67.2 | 56% | 0.562 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.3 | -177.3 | -57.5 | -171.9 | -60.5 | 0 | 0 | 110.9 | I97 R103 | I97-M99 HydrophobicContact CG2-CG 3.97Å; M99-R103 CarbonylContact C-O 3.56Å; M99-R103 VanDerWaalsContact CA-O 3.25Å; M99-R103 WeakPolarHBondContact CA-O 3.41Å |
| 100 | L | 94.5 | Very high | 96 | Very high | 25 Ų | 25 | 68.3 Ų | 68.3 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.5 | 168.3 | 174.3 | 62.3 | 0 | 0 | 0 | 106.4 | V17 S102 R103 V105 D294 P296 | V17-L100 HydrophobicContact CG1-CB 4.16Å; V17-L100 HydrophobicContact CG1-CD1 4.02Å; L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 3.36Å; L100-R103 PolarHBondContact N-O 2.95Å; L100-R103 WeakPolarHBondContact O-CA 3.44Å; L100-R103 WeakPolarHBondContact O-CB 3.37Å; L100-R103 PolarHBondContact O-N 3.48Å; L100-R103 VanDerWaalsContact O-O 3.14Å; L100-V105 HydrophobicContact CB-CG1 3.85Å; L100-V105 HydrophobicContact CB-CG2 4.25Å; L100-V105 HydrophobicContact CD2-CG1 4.49Å; L100-D294 HydrophobicContact CD1-CB 4.3Å; L100-D294 VanDerWaalsContact CD1-O 3.24Å; L100-D294 WeakPolarHBondContact CD1-O 3.48Å; L100-P296 HydrophobicContact CD1-CG 4.43Å |
| 101 | N | 92.2 | Very high | 96 | Very high | 94 Ų | 94 | 63 Ų | 63 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 50.4 | -179.5 | -63.9 | -11.4 | 0 | 0 | 0 | 113.5 | R103 D294 | N101-R103 PolarHBondContact O-N 3.25Å; N101-D294 PolarHBondContact ND2-OD1 2.86Å; N101-D294 PolarHBondContact OD1-O 3.09Å |
| 102 | S | 90.7 | Very high | 96.1 | Very high | 123 Ų | 123 | 59.8 Ų | 59.8 | 86% | 0.86 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 7.1 | -176.4 | -58.6 | 0 | 0 | 0 | 0 | 116.4 | L100 | L100-S102 VanDerWaalsContact C-N 3.31Å; L100-S102 PolarHBondContact O-N 3.36Å |
| 103 | R | 93.7 | Very high | 96.2 | Very high | 71 Ų | 71 | 57.7 Ų | 57.7 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.3 | 179.7 | 180 | 176.8 | 169.5 | -75 | -12.7 | 110.1 | M99 L100 N101 V105 D135 D137 | M99-R103 CarbonylContact C-O 3.56Å; M99-R103 VanDerWaalsContact CA-O 3.25Å; M99-R103 WeakPolarHBondContact CA-O 3.41Å; L100-R103 PolarHBondContact N-O 2.95Å; L100-R103 WeakPolarHBondContact O-CA 3.44Å; L100-R103 WeakPolarHBondContact O-CB 3.37Å; L100-R103 PolarHBondContact O-N 3.48Å; L100-R103 VanDerWaalsContact O-O 3.14Å; N101-R103 PolarHBondContact O-N 3.25Å; R103-V105 PolarHBondContact O-N 3.08Å; R103-D135 IonicContact CZ-OD1 3.54Å; R103-D135 IonicContact CZ-OD2 2.7Å; R103-D135 VanDerWaalsContact NH1-CG 3.28Å; R103-D135 IonicContact NH1-OD1 2.62Å; R103-D135 IonicContact NH1-OD2 2.73Å; R103-D135 PolarHBondContact NH1-OD2 3.34Å; R103-D135 IonicContact NH2-OD1 2.64Å; R103-D135 PolarHBondContact NH2-OD1 3.44Å; R103-D135 IonicContact NH2-OD2 3.06Å; R103-D137 IonicContact CZ-OD1 3.27Å; R103-D137 VanDerWaalsContact CZ-OD1 3.23Å; R103-D137 IonicContact CZ-OD2 2.64Å; R103-D137 IonicContact NE-OD1 2.66Å; R103-D137 PolarHBondContact NE-OD1 3.03Å; R103-D137 VanDerWaalsContact NE-OD1 3.08Å; R103-D137 IonicContact NE-OD2 3.82Å; R103-D137 PolarHBondContact NE-OD2 3.35Å; R103-D137 IonicContact NH1-OD2 2.85Å; R103-D137 IonicContact NH2-OD1 2.75Å; R103-D137 PolarHBondContact NH2-OD1 3.15Å; R103-D137 IonicContact NH2-OD2 2.76Å; R103-D137 PolarHBondContact NH2-OD2 3.25Å |
| 104 | T | 96.5 | Very high | 96.4 | Very high | 56 Ų | 56 | 54.7 Ų | 54.7 | 34% | 0.344 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.6 | 173.6 | -66.5 | 0 | 0 | 0 | 0 | 109.5 | I97 E134 | I97-T104 HydrophobicContact CG2-CG2 3.87Å; I97-T104 WeakPolarHBondContact CG2-OG1 3.11Å; T104-E134 HydrophobicContact CG2-CB 4.1Å |
| 105 | V | 96.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -23.5 | 176.1 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | V20 I98 L100 R103 M133 E134 D135 | V20-V105 HydrophobicContact CG1-CB 4.03Å; V20-V105 HydrophobicContact CG1-CG2 4.03Å; V20-V105 VanDerWaalsContact CG1-O 3.27Å; V20-V105 WeakPolarHBondContact CG1-O 3.33Å; I98-V105 HydrophobicContact CB-CG2 4.35Å; I98-V105 HydrophobicContact CG2-CG2 3.77Å; I98-V105 WeakPolarHBondContact O-CG2 3.24Å; I98-V105 PolarHBondContact O-N 3.47Å; L100-V105 HydrophobicContact CB-CG1 3.85Å; L100-V105 HydrophobicContact CB-CG2 4.25Å; L100-V105 HydrophobicContact CD2-CG1 4.49Å; R103-V105 PolarHBondContact O-N 3.08Å; V105-M133 VanDerWaalsContact O-SD 3.4Å; V105-E134 CarbonylContact O-C 3.59Å; V105-E134 PolarHBondContact O-N 3.29Å; V105-D135 PolarHBondContact O-N 3.29Å |
| 106 | G | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | -178.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | I98 R132 | I98-G106 PolarHBondContact N-O 3.09Å; I98-G106 PolarHBondContact O-N 3.35Å; G106-R132 CarbonylContact C-O 3.51Å; G106-R132 WeakPolarHBondContact CA-O 3.41Å |
| 107 | M | 97.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 22% | 0.217 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 137.6 | 174.5 | -82.3 | -172.4 | -90.9 | 0 | 0 | 111.6 | R96 I97 R132 E134 | R96-M107 CarbonylContact O-C 3.48Å; R96-M107 VanDerWaalsContact O-CA 3.27Å; R96-M107 WeakPolarHBondContact O-CA 3.42Å; I97-M107 HydrophobicContact CG1-CG 4.19Å; I97-M107 HydrophobicContact CG1-SD 4.28Å; M107-R132 HydrophobicContact CB-CG 4.11Å; M107-R132 PolarHBondContact N-O 3.48Å; M107-R132 PolarHBondContact O-N 3.36Å; M107-R132 PolarHBondContact SD-NH2 3.4Å; M107-E134 HydrophobicContact CB-CG 4.45Å; M107-E134 HydrophobicContact CE-CG 3.68Å; M107-E134 VanDerWaalsContact CE-OE1 3.3Å; M107-E134 WeakPolarHBondContact CE-OE1 3.49Å; M107-E134 HydrophobicContact CG-CG 4.4Å |
| 108 | K | 98 | Very high | 96.2 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.1 | 177.8 | 176.9 | 174.7 | -179.4 | 172.2 | 0 | 110.3 | D16 D95 R96 I98 E130 Y131 | D16-K108 IonicContact OD1-NZ 2.71Å; D16-K108 PolarHBondContact OD1-NZ 3.32Å; D16-K108 WeakPolarHBondContact OD2-CD 3.47Å; D16-K108 IonicContact OD2-NZ 3.59Å; D16-K108 PolarHBondContact OD2-NZ 3.28Å; D95-K108 WeakPolarHBondContact CA-O 3.29Å; R96-K108 HydrophobicContact CB-CB 4.44Å; R96-K108 PolarHBondContact N-O 2.64Å; R96-K108 PolarHBondContact O-N 3.34Å; I98-K108 HydrophobicContact CD1-CB 3.92Å; I98-K108 HydrophobicContact CG1-CB 4.44Å; K108-E130 WeakPolarHBondContact CA-O 3.38Å; K108-Y131 HydrophobicContact CB-CD1 4.25Å; K108-Y131 HydrophobicContact CB-CE1 4.24Å; K108-Y131 HydrophobicContact CD-CE1 3.72Å; K108-Y131 VanDerWaalsContact CE-OH 3.3Å; K108-Y131 WeakPolarHBondContact CE-OH 3.39Å; K108-Y131 HydrophobicContact CG-CD1 4.42Å; K108-Y131 HydrophobicContact CG-CE1 4.06Å; K108-Y131 PolarHBondContact NZ-OH 3.18Å; K108-Y131 VanDerWaalsContact NZ-OH 3.13Å |
| 109 | K | 97.2 | Very high | 96 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 14% | 0.135 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.3 | 178.2 | 177.7 | -175.9 | -52.4 | -61.2 | 0 | 109.4 | T91 D95 L111 Y129 E130 | T91-K109 HydrophobicContact CG2-CD 3.91Å; T91-K109 HydrophobicContact CG2-CG 4.44Å; D95-K109 IonicContact OD1-NZ 3.64Å; D95-K109 PolarHBondContact OD1-NZ 3.13Å; D95-K109 IonicContact OD2-NZ 3.54Å; D95-K109 PolarHBondContact OD2-NZ 3.06Å; K109-L111 HydrophobicContact CB-CD1 4.5Å; K109-L111 HydrophobicContact CD-CD1 4.24Å; K109-L111 HydrophobicContact CD-CG 4.46Å; K109-L111 HydrophobicContact CG-CD1 4.04Å; K109-L111 HydrophobicContact CG-CG 4.36Å; K109-L111 WeakPolarHBondContact O-CD1 3.47Å; K109-Y129 WeakPolarHBondContact O-CA 3.48Å; K109-E130 HydrophobicContact CB-CB 4.33Å; K109-E130 WeakPolarHBondContact CD-OE1 3.48Å; K109-E130 VanDerWaalsContact CE-OE1 3.29Å; K109-E130 WeakPolarHBondContact CE-OE1 3.48Å; K109-E130 PolarHBondContact N-O 3.06Å; K109-E130 PolarHBondContact O-N 3.05Å |
| 110 | T | 97.4 | Very high | 96 | Very high | 31 Ų | 31 | 57 Ų | 57 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 134.1 | 174.5 | -52.8 | 0 | 0 | 0 | 0 | 110.5 | S92 V127 M128 Y129 | S92-T110 PolarHBondContact N-O 2.96Å; S92-T110 WeakPolarHBondContact O-CB 3.34Å; T110-V127 HydrophobicContact CG2-CG1 3.89Å; T110-M128 WeakPolarHBondContact CA-O 3.17Å; T110-Y129 HydrophobicContact CG2-CD1 4.06Å; T110-Y129 HydrophobicContact CG2-CE1 3.82Å; T110-Y129 WeakPolarHBondContact OG1-CE1 3.35Å |
| 111 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.8 | 174.3 | -53.9 | 98.8 | 0 | 0 | 0 | 110.6 | W89 K90 T91 K109 V127 M128 E130 | W89-L111 HydrophobicContact CB-CB 4.32Å; W89-L111 HydrophobicContact CB-CD2 4.03Å; W89-L111 HydrophobicContact CE3-CB 4.08Å; K90-L111 CarbonylContact O-C 3.55Å; K90-L111 VanDerWaalsContact O-CA 3.29Å; K90-L111 WeakPolarHBondContact O-CA 3.39Å; T91-L111 HydrophobicContact CG2-CD2 4.06Å; T91-L111 HydrophobicContact CG2-CG 4.45Å; K109-L111 HydrophobicContact CB-CD1 4.5Å; K109-L111 HydrophobicContact CD-CD1 4.24Å; K109-L111 HydrophobicContact CD-CG 4.46Å; K109-L111 HydrophobicContact CG-CD1 4.04Å; K109-L111 HydrophobicContact CG-CG 4.36Å; K109-L111 WeakPolarHBondContact O-CD1 3.47Å; L111-V127 WeakPolarHBondContact O-CA 3.09Å; L111-M128 HydrophobicContact CB-CB 4.37Å; L111-M128 HydrophobicContact CD1-CG 4.48Å; L111-M128 HydrophobicContact CD1-SD 4.12Å; L111-M128 PolarHBondContact N-O 3.39Å; L111-M128 PolarHBondContact O-N 2.84Å; L111-E130 HydrophobicContact CD1-CB 3.47Å; L111-E130 VanDerWaalsContact CD1-CB 3.47Å |
| 112 | I | 96.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.046 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.1 | -178.8 | -58.2 | -178.8 | 0 | 0 | 0 | 107.4 | K90 R123 T124 W126 V127 | K90-I112 PolarHBondContact N-O 3.32Å; K90-I112 PolarHBondContact O-N 3.05Å; I112-R123 HydrophobicContact CG2-CG 4.3Å; I112-T124 WeakPolarHBondContact CG2-O 3.4Å; I112-W126 WeakPolarHBondContact CA-O 3.42Å; I112-V127 HydrophobicContact CG1-CG2 4.35Å |
| 113 | F | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133.6 | -177.4 | -172 | -103.7 | 0 | 0 | 0 | 110.9 | P47 P48 W49 T84 W89 E115 T124 W126 | P47-F113 HydrophobicContact CB-CZ 4.34Å; P48-F113 HydrophobicContact CG-CB 4.04Å; P48-F113 HydrophobicContact CG-CD1 3.69Å; P48-F113 HydrophobicContact CG-CD2 4.22Å; P48-F113 HydrophobicContact CG-CE1 4.15Å; P48-F113 HydrophobicContact CG-CG 3.73Å; W49-F113 HydrophobicContact CH2-CE1 4.02Å; W49-F113 HydrophobicContact CZ3-CD1 4.27Å; W49-F113 AromaticContact CZ3-CE1 3.73Å; W49-F113 HydrophobicContact CZ3-CE1 3.73Å; T84-F113 HydrophobicContact CG2-CE2 3.94Å; T84-F113 WeakPolarHBondContact OG1-CE2 3.44Å; W89-F113 HydrophobicContact CD2-CB 4.18Å; W89-F113 AromaticContact CD2-CD2 3.91Å; W89-F113 HydrophobicContact CD2-CD2 3.91Å; W89-F113 AromaticContact CE2-CD2 3.73Å; W89-F113 HydrophobicContact CE3-CB 3.84Å; W89-F113 HydrophobicContact CE3-CD2 4.44Å; W89-F113 HydrophobicContact CG-CD2 4.22Å; W89-F113 HydrophobicContact CH2-CB 4.03Å; W89-F113 HydrophobicContact CZ2-CB 4.33Å; W89-F113 HydrophobicContact CZ2-CD2 4.16Å; W89-F113 HydrophobicContact CZ3-CB 3.76Å; W89-F113 AromaticContact NE1-CD2 3.86Å; F113-E115 HydrophobicContact CE1-CB 4.18Å; F113-T124 HydrophobicContact CD1-CG2 4.01Å; F113-T124 PolarHBondContact O-N 2.91Å; F113-T124 PolarHBondContact O-OG1 2.88Å; F113-W126 HydrophobicContact CB-CB 4.01Å; F113-W126 PolarHBondContact N-O 3.4Å |
| 114 | H | 98 | Very high | 96.7 | Very high | 15 Ų | 15 | 55.8 Ų | 55.8 | 7% | 0.069 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.8 | 169.4 | -79.4 | -107 | 0 | 0 | 0 | 108.8 | G87 Y88 K90 G121 D122 | G87-H114 CarbonylContact C-O 3.47Å; G87-H114 WeakPolarHBondContact CA-O 3.46Å; Y88-H114 HydrophobicContact CD1-CB 4.14Å; Y88-H114 HydrophobicContact CD2-CB 4.15Å; Y88-H114 HydrophobicContact CE1-CB 3.68Å; Y88-H114 HydrophobicContact CE2-CB 3.69Å; Y88-H114 HydrophobicContact CG-CB 4.37Å; Y88-H114 VanDerWaalsContact CZ-CB 3.43Å; Y88-H114 AromaticContact CZ-CG 3.98Å; Y88-H114 PolarHBondContact N-O 2.69Å; Y88-H114 PolarHBondContact O-N 3.34Å; K90-H114 WeakPolarHBondContact CD-NE2 2.9Å; H114-G121 PolarHBondContact ND1-O 2.86Å; H114-D122 CarbonylContact C-O 3.27Å; H114-D122 WeakPolarHBondContact CA-O 3.07Å |
| 115 | E | 97.7 | Very high | 96.6 | Very high | 92 Ų | 92 | 54.8 Ų | 54.8 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 143 | 179 | -173.2 | 170.6 | 178.4 | 0 | 0 | 110.7 | W49 F113 G121 D122 T124 | W49-E115 HydrophobicContact CH2-CG 4.23Å; F113-E115 HydrophobicContact CE1-CB 4.18Å; E115-G121 CarbonylContact O-C 3.57Å; E115-G121 VanDerWaalsContact O-C 3.27Å; E115-G121 WeakPolarHBondContact O-CA 3.48Å; E115-D122 PolarHBondContact N-O 3.11Å; E115-D122 PolarHBondContact O-N 2.73Å; E115-T124 HydrophobicContact CB-CG2 3.92Å |
| 116 | G | 97.1 | Very high | 96.6 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 82.6 | -174.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N86 Y88 A118 | N86-G116 PolarHBondContact O-N 3.45Å; Y88-G116 WeakPolarHBondContact CD1-O 3.06Å; Y88-G116 WeakPolarHBondContact CE1-O 3.37Å; G116-A118 PolarHBondContact O-N 3.23Å |
| 117 | K | 95.8 | Very high | 96.5 | Very high | 186 Ų | 186 | 56.1 Ų | 56.1 | 81% | 0.809 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -79.5 | 124.7 | -164.2 | -170 | 173.2 | -177.5 | 173.5 | 0 | 113.2 | K120 | K117-K120 PolarHBondContact O-N 2.71Š|
| 118 | A | 94.5 | Very high | 96.5 | Very high | 60 Ų | 60 | 54 Ų | 54 | 50% | 0.496 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 140.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y88 G116 | Y88-A118 HydrophobicContact CD1-CB 3.63Å; Y88-A118 HydrophobicContact CD2-CB 4.27Å; Y88-A118 HydrophobicContact CE1-CB 3.6Å; Y88-A118 HydrophobicContact CE2-CB 4.25Å; Y88-A118 HydrophobicContact CG-CB 3.97Å; G116-A118 PolarHBondContact O-N 3.23Å |
| 119 | P | 94.1 | Very high | 96.5 | Very high | 117 Ų | 117 | 56.1 Ų | 56.1 | 76% | 0.76 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.5 | 9.9 | 0.4 | 38.4 | -37 | 0 | 0 | 0 | 114 | Y88 | Y88-P119 VanDerWaalsContact OH-C 3.27Å; Y88-P119 PolarHBondContact OH-O 3.2Å |
| 120 | K | 95.8 | Very high | 96.5 | Very high | 190 Ų | 190 | 55 Ų | 55 | 83% | 0.826 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -95.4 | 21.4 | -171.5 | -60.6 | -171.4 | 176.2 | -171.9 | 0 | 113.6 | K117 | K117-K120 PolarHBondContact O-N 2.71Š|
| 121 | G | 96.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 141.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y88 H114 E115 | Y88-G121 PolarHBondContact OH-N 3.08Å; Y88-G121 VanDerWaalsContact OH-N 3.09Å; H114-G121 PolarHBondContact ND1-O 2.86Å; E115-G121 CarbonylContact O-C 3.57Å; E115-G121 VanDerWaalsContact O-C 3.27Å; E115-G121 WeakPolarHBondContact O-CA 3.48Å |
| 122 | D | 97.1 | Very high | 96.5 | Very high | 130 Ų | 130 | 55.6 Ų | 55.6 | 70% | 0.695 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 136.9 | -179.4 | -71.8 | -54.1 | 0 | 0 | 0 | 111.1 | H114 E115 T124 | H114-D122 CarbonylContact C-O 3.27Å; H114-D122 WeakPolarHBondContact CA-O 3.07Å; E115-D122 PolarHBondContact N-O 3.11Å; E115-D122 PolarHBondContact O-N 2.73Å; D122-T124 PolarHBondContact O-N 2.94Å |
| 123 | R | 96.3 | Very high | 96.4 | Very high | 126 Ų | 126 | 55.3 Ų | 55.3 | 48% | 0.475 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 116.9 | -174.7 | 179.9 | -178.9 | 177 | 83.8 | -13.5 | 110.1 | I112 | I112-R123 HydrophobicContact CG2-CG 4.3Å |
| 124 | T | 95.6 | Very high | 96.4 | Very high | 22 Ų | 22 | 57 Ų | 57 | 14% | 0.135 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 169.7 | 174 | 76.3 | 0 | 0 | 0 | 0 | 111.8 | I112 F113 E115 D122 W126 | I112-T124 WeakPolarHBondContact CG2-O 3.4Å; F113-T124 HydrophobicContact CD1-CG2 4.01Å; F113-T124 PolarHBondContact O-N 2.91Å; F113-T124 PolarHBondContact O-OG1 2.88Å; E115-T124 HydrophobicContact CB-CG2 3.92Å; D122-T124 PolarHBondContact O-N 2.94Å; T124-W126 VanDerWaalsContact C-N 3.32Å; T124-W126 PolarHBondContact OG1-N 2.93Å |
| 125 | D | 94.7 | Very high | 96.1 | Very high | 34 Ų | 34 | 56.3 Ų | 56.3 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 5.7 | 175.1 | -77.1 | -48.9 | 0 | 0 | 0 | 114.6 | K156 G158 | D125-K156 HydrophobicContact CB-CB 4.24Å; D125-K156 PolarHBondContact O-N 2.8Å; D125-K156 IonicContact OD1-NZ 3.7Å; D125-K156 PolarHBondContact OD1-NZ 3Å; D125-G158 VanDerWaalsContact OD1-O 3.13Å; D125-G158 VanDerWaalsContact OD2-CA 3.28Å; D125-G158 WeakPolarHBondContact OD2-CA 3.39Å |
| 126 | W | 96.4 | Very high | 95.9 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 125.8 | 172.9 | -70 | 103.8 | 0 | 0 | 0 | 111.5 | P48 W49 W64 W89 I112 F113 T124 I153 K155 | P48-W126 HydrophobicContact CB-CB 3.87Å; P48-W126 HydrophobicContact CB-CD2 3.59Å; P48-W126 HydrophobicContact CB-CE3 3.76Å; P48-W126 HydrophobicContact CB-CG 3.65Å; P48-W126 HydrophobicContact CB-CZ3 4.41Å; P48-W126 HydrophobicContact CG-CB 3.71Å; P48-W126 HydrophobicContact CG-CD2 3.82Å; P48-W126 HydrophobicContact CG-CE3 4.49Å; P48-W126 HydrophobicContact CG-CG 3.42Å; P48-W126 VanDerWaalsContact CG-CG 3.42Å; W49-W126 HydrophobicContact CB-CH2 4.42Å; W49-W126 HydrophobicContact CB-CZ2 3.7Å; W49-W126 AromaticContact CE3-NE1 3.9Å; W64-W126 HydrophobicContact CE3-CZ3 4.27Å; W64-W126 HydrophobicContact CZ3-CH2 4.12Å; W64-W126 AromaticContact CZ3-CZ3 3.69Å; W64-W126 HydrophobicContact CZ3-CZ3 3.69Å; W89-W126 HydrophobicContact CH2-CB 4.46Å; I112-W126 WeakPolarHBondContact CA-O 3.42Å; F113-W126 HydrophobicContact CB-CB 4.01Å; F113-W126 PolarHBondContact N-O 3.4Å; T124-W126 VanDerWaalsContact C-N 3.32Å; T124-W126 PolarHBondContact OG1-N 2.93Å; W126-I153 HydrophobicContact CE3-CG2 4.21Å; W126-I153 HydrophobicContact CZ3-CG2 4.47Å; W126-K155 HydrophobicContact CD2-CB 3.98Å; W126-K155 HydrophobicContact CD2-CD 4.43Å; W126-K155 HydrophobicContact CD2-CG 4.05Å; W126-K155 HydrophobicContact CE3-CB 3.76Å; W126-K155 HydrophobicContact CE3-CG 4.36Å; W126-K155 HydrophobicContact CG-CG 4.49Å; W126-K155 HydrophobicContact CH2-CB 4.14Å; W126-K155 HydrophobicContact CH2-CD 4.41Å; W126-K155 HydrophobicContact CZ2-CB 4.32Å; W126-K155 HydrophobicContact CZ2-CD 3.9Å; W126-K155 HydrophobicContact CZ2-CG 4.37Å; W126-K155 HydrophobicContact CZ3-CB 3.87Å |
| 127 | V | 96.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143.8 | -178.2 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | T110 L111 I112 Y129 I153 F154 K156 | T110-V127 HydrophobicContact CG2-CG1 3.89Å; L111-V127 WeakPolarHBondContact O-CA 3.09Å; I112-V127 HydrophobicContact CG1-CG2 4.35Å; V127-Y129 HydrophobicContact CG1-CE1 4.26Å; V127-I153 WeakPolarHBondContact O-CA 3.5Å; V127-F154 HydrophobicContact CB-CD1 4.36Å; V127-F154 HydrophobicContact CB-CD2 4.33Å; V127-F154 HydrophobicContact CB-CE1 3.81Å; V127-F154 HydrophobicContact CB-CE2 3.79Å; V127-F154 HydrophobicContact CB-CZ 3.51Å; V127-F154 HydrophobicContact CG1-CE1 3.69Å; V127-F154 HydrophobicContact CG1-CE2 4.19Å; V127-F154 HydrophobicContact CG1-CZ 3.43Å; V127-F154 VanDerWaalsContact CG1-CZ 3.43Å; V127-F154 HydrophobicContact CG2-CE2 4.14Å; V127-F154 HydrophobicContact CG2-CZ 4.2Å; V127-F154 PolarHBondContact N-O 2.79Å; V127-F154 PolarHBondContact O-N 2.8Å; V127-K156 HydrophobicContact CG2-CD 3.73Å; V127-K156 HydrophobicContact CG2-CG 3.96Å |
| 128 | M | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 137.9 | 170.2 | -180 | -163.2 | -51.2 | 0 | 0 | 109.8 | L43 W89 T110 L111 E130 C151 K152 I153 | L43-M128 HydrophobicContact CD1-CE 3.5Å; L43-M128 VanDerWaalsContact CD1-CE 3.5Å; L43-M128 HydrophobicContact CD1-SD 3.93Å; L43-M128 HydrophobicContact CD2-CE 3.47Å; L43-M128 VanDerWaalsContact CD2-CE 3.47Å; L43-M128 HydrophobicContact CG-CE 4.16Å; W89-M128 HydrophobicContact CD2-CE 3.54Å; W89-M128 HydrophobicContact CE3-CB 4.02Å; W89-M128 HydrophobicContact CE3-CE 3.89Å; W89-M128 HydrophobicContact CG-CE 4.06Å; W89-M128 HydrophobicContact CH2-CB 3.98Å; W89-M128 HydrophobicContact CH2-CE 3.88Å; W89-M128 HydrophobicContact CZ2-CE 3.54Å; W89-M128 HydrophobicContact CZ3-CB 3.61Å; W89-M128 HydrophobicContact CZ3-CE 4.06Å; T110-M128 WeakPolarHBondContact CA-O 3.17Å; L111-M128 HydrophobicContact CB-CB 4.37Å; L111-M128 HydrophobicContact CD1-CG 4.48Å; L111-M128 HydrophobicContact CD1-SD 4.12Å; L111-M128 PolarHBondContact N-O 3.39Å; L111-M128 PolarHBondContact O-N 2.84Å; M128-E130 HydrophobicContact SD-CB 4.32Å; M128-C151 HydrophobicContact CG-CB 4.11Å; M128-C151 HydrophobicContact SD-CB 4.06Å; M128-C151 VanDerWaalsContact SD-SG 3.65Å; M128-K152 CarbonylContact C-O 3.56Å; M128-K152 VanDerWaalsContact CA-O 3.28Å; M128-K152 WeakPolarHBondContact CA-O 3.27Å; M128-I153 HydrophobicContact CB-CG1 4.5Å; M128-I153 HydrophobicContact CG-CG1 4.23Å |
| 129 | Y | 97.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.4 | 158.9 | -59.6 | -42.4 | 0 | 0 | 0 | 108.7 | K109 T110 V127 Y131 C151 K152 F154 | K109-Y129 WeakPolarHBondContact O-CA 3.48Å; T110-Y129 HydrophobicContact CG2-CD1 4.06Å; T110-Y129 HydrophobicContact CG2-CE1 3.82Å; T110-Y129 WeakPolarHBondContact OG1-CE1 3.35Å; V127-Y129 HydrophobicContact CG1-CE1 4.26Å; Y129-Y131 VanDerWaalsContact O-CD2 3.31Å; Y129-Y131 WeakPolarHBondContact O-CD2 3.46Å; Y129-Y131 WeakPolarHBondContact O-CE2 3.42Å; Y129-C151 WeakPolarHBondContact O-CA 3.38Å; Y129-K152 HydrophobicContact CD2-CD 4.24Å; Y129-K152 HydrophobicContact CD2-CG 4.49Å; Y129-K152 PolarHBondContact N-O 3.22Å; Y129-K152 PolarHBondContact O-N 2.89Å; Y129-F154 AromaticContact CD2-CE1 3.87Å; Y129-F154 HydrophobicContact CD2-CE1 3.87Å; Y129-F154 HydrophobicContact CE1-CE1 4.34Å; Y129-F154 HydrophobicContact CE1-CZ 4.39Å; Y129-F154 HydrophobicContact CE2-CD1 4.49Å; Y129-F154 AromaticContact CE2-CE1 3.44Å; Y129-F154 HydrophobicContact CE2-CE1 3.44Å; Y129-F154 VanDerWaalsContact CE2-CE1 3.44Å; Y129-F154 AromaticContact CE2-CZ 3.84Å; Y129-F154 HydrophobicContact CE2-CZ 3.84Å; Y129-F154 HydrophobicContact CG-CE1 4.47Å; Y129-F154 AromaticContact CZ-CE1 3.7Å; Y129-F154 AromaticContact CZ-CZ 3.68Å |
| 130 | E | 97.6 | Very high | 95.1 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 114.8 | 173.7 | 177 | -167 | 94.3 | 0 | 0 | 108.5 | Y44 R82 K108 K109 L111 M128 V149 | Y44-E130 PolarHBondContact OH-OE2 3.28Å; R82-E130 IonicContact CZ-OE1 3.91Å; R82-E130 IonicContact CZ-OE2 3.2Å; R82-E130 VanDerWaalsContact CZ-OE2 3.31Å; R82-E130 IonicContact NE-OE2 3.08Å; R82-E130 PolarHBondContact NE-OE2 3.45Å; R82-E130 VanDerWaalsContact NE-OE2 3.12Å; R82-E130 IonicContact NH2-OE1 2.71Å; R82-E130 PolarHBondContact NH2-OE1 2.77Å; R82-E130 IonicContact NH2-OE2 3.23Å; R82-E130 PolarHBondContact NH2-OE2 2.99Å; K108-E130 WeakPolarHBondContact CA-O 3.38Å; K109-E130 HydrophobicContact CB-CB 4.33Å; K109-E130 WeakPolarHBondContact CD-OE1 3.48Å; K109-E130 VanDerWaalsContact CE-OE1 3.29Å; K109-E130 WeakPolarHBondContact CE-OE1 3.48Å; K109-E130 PolarHBondContact N-O 3.06Å; K109-E130 PolarHBondContact O-N 3.05Å; L111-E130 HydrophobicContact CD1-CB 3.47Å; L111-E130 VanDerWaalsContact CD1-CB 3.47Å; M128-E130 HydrophobicContact SD-CB 4.32Å; E130-V149 HydrophobicContact CG-CB 4.27Å; E130-V149 HydrophobicContact CG-CG1 4.38Å; E130-V149 HydrophobicContact CG-CG2 4.31Å |
| 131 | Y | 98 | Very high | 94.9 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.5 | 177.3 | -62.3 | -103.3 | 0 | 0 | 0 | 109 | D16 L19 V20 I98 K108 Y129 V149 L150 K152 | D16-Y131 HydrophobicContact CB-CE1 4.1Å; D16-Y131 VanDerWaalsContact OD1-CE1 3.24Å; D16-Y131 WeakPolarHBondContact OD1-CE1 3.43Å; D16-Y131 VanDerWaalsContact OD1-CZ 3.32Å; D16-Y131 PolarHBondContact OD1-OH 2.9Å; L19-Y131 HydrophobicContact CB-CD1 4.31Å; L19-Y131 HydrophobicContact CB-CE1 4.26Å; L19-Y131 HydrophobicContact CD1-CE1 3.84Å; L19-Y131 HydrophobicContact CD1-CE2 3.88Å; L19-Y131 VanDerWaalsContact CD1-CZ 3.46Å; L19-Y131 WeakPolarHBondContact CD1-OH 3.41Å; V20-Y131 HydrophobicContact CG2-CD1 4.01Å; I98-Y131 HydrophobicContact CD1-CD1 3.64Å; I98-Y131 HydrophobicContact CD1-CE1 3.96Å; K108-Y131 HydrophobicContact CB-CD1 4.25Å; K108-Y131 HydrophobicContact CB-CE1 4.24Å; K108-Y131 HydrophobicContact CD-CE1 3.72Å; K108-Y131 VanDerWaalsContact CE-OH 3.3Å; K108-Y131 WeakPolarHBondContact CE-OH 3.39Å; K108-Y131 HydrophobicContact CG-CD1 4.42Å; K108-Y131 HydrophobicContact CG-CE1 4.06Å; K108-Y131 PolarHBondContact NZ-OH 3.18Å; K108-Y131 VanDerWaalsContact NZ-OH 3.13Å; Y129-Y131 VanDerWaalsContact O-CD2 3.31Å; Y129-Y131 WeakPolarHBondContact O-CD2 3.46Å; Y129-Y131 WeakPolarHBondContact O-CE2 3.42Å; Y131-V149 WeakPolarHBondContact O-CA 3.4Å; Y131-V149 WeakPolarHBondContact O-CB 3.14Å; Y131-L150 WeakPolarHBondContact CB-O 3.49Å; Y131-L150 HydrophobicContact CD2-CD2 3.72Å; Y131-L150 WeakPolarHBondContact CD2-O 3.29Å; Y131-L150 HydrophobicContact CE2-CD2 4.21Å; Y131-L150 HydrophobicContact CG-CD2 4.29Å; Y131-L150 PolarHBondContact N-O 2.98Å; Y131-L150 PolarHBondContact O-N 3.36Å; Y131-K152 HydrophobicContact CE2-CB 4.12Å |
| 132 | R | 96 | Very high | 94.8 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 15% | 0.151 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148 | 171.8 | 67.4 | 177.3 | 179.5 | -83.8 | 7 | 111.4 | D95 G106 M107 E134 V149 | D95-R132 IonicContact OD2-CZ 3.56Å; D95-R132 VanDerWaalsContact OD2-CZ 3.27Å; D95-R132 IonicContact OD2-NH1 2.73Å; D95-R132 PolarHBondContact OD2-NH1 3.22Å; D95-R132 IonicContact OD2-NH2 3.53Å; D95-R132 PolarHBondContact OD2-NH2 3.48Å; G106-R132 CarbonylContact C-O 3.51Å; G106-R132 WeakPolarHBondContact CA-O 3.41Å; M107-R132 HydrophobicContact CB-CG 4.11Å; M107-R132 PolarHBondContact N-O 3.48Å; M107-R132 PolarHBondContact O-N 3.36Å; M107-R132 PolarHBondContact SD-NH2 3.4Å; R132-E134 VanDerWaalsContact CD-OE1 3.26Å; R132-E134 WeakPolarHBondContact CD-OE1 3.24Å; R132-E134 HydrophobicContact CG-CG 4.3Å; R132-E134 IonicContact CZ-OE1 2.68Å; R132-E134 IonicContact NE-OE1 3.12Å; R132-E134 PolarHBondContact NE-OE1 3.49Å; R132-V149 HydrophobicContact CB-CG1 4.3Å |
| 133 | M | 96.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 134.5 | 174.6 | -174.6 | 57.2 | 61.3 | 0 | 0 | 110.4 | V20 L24 K25 I28 V105 D135 L138 K145 | V20-M133 HydrophobicContact CG1-CE 3.83Å; V20-M133 HydrophobicContact CG1-SD 4.12Å; V20-M133 WeakPolarHBondContact O-CE 3.35Å; L24-M133 HydrophobicContact CB-CE 4.1Å; L24-M133 HydrophobicContact CD2-CB 4.16Å; L24-M133 HydrophobicContact CD2-CE 4.21Å; L24-M133 HydrophobicContact CG-CE 3.91Å; K25-M133 HydrophobicContact CB-CE 3.78Å; K25-M133 HydrophobicContact CG-CE 4.38Å; I28-M133 HydrophobicContact CD1-CB 3.7Å; I28-M133 HydrophobicContact CD1-CE 4.31Å; I28-M133 HydrophobicContact CD1-CG 3.93Å; V105-M133 VanDerWaalsContact O-SD 3.4Å; M133-D135 HydrophobicContact CG-CB 4.3Å; M133-D135 HydrophobicContact SD-CB 3.4Å; M133-D135 WeakPolarHBondContact SD-CB 3.25Å; M133-L138 HydrophobicContact CE-CD2 4.25Å; M133-L138 HydrophobicContact CG-CD2 3.48Å; M133-L138 VanDerWaalsContact CG-CD2 3.48Å; M133-L138 HydrophobicContact SD-CD2 3.75Å; M133-K145 HydrophobicContact CB-CB 3.99Å; M133-K145 HydrophobicContact CG-CB 3.77Å |
| 134 | E | 95.7 | Very high | 94.3 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | trans | -138 | 20.8 | 175.5 | -58.1 | -72.8 | -169.5 | 0 | 0 | 110.9 | T104 V105 M107 R132 E136 K145 | T104-E134 HydrophobicContact CG2-CB 4.1Å; V105-E134 CarbonylContact O-C 3.59Å; V105-E134 PolarHBondContact O-N 3.29Å; M107-E134 HydrophobicContact CB-CG 4.45Å; M107-E134 HydrophobicContact CE-CG 3.68Å; M107-E134 VanDerWaalsContact CE-OE1 3.3Å; M107-E134 WeakPolarHBondContact CE-OE1 3.49Å; M107-E134 HydrophobicContact CG-CG 4.4Å; R132-E134 VanDerWaalsContact CD-OE1 3.26Å; R132-E134 WeakPolarHBondContact CD-OE1 3.24Å; R132-E134 HydrophobicContact CG-CG 4.3Å; R132-E134 IonicContact CZ-OE1 2.68Å; R132-E134 IonicContact NE-OE1 3.12Å; R132-E134 PolarHBondContact NE-OE1 3.49Å; E134-E136 PolarHBondContact O-N 3.49Å; E134-K145 IonicContact OE2-NZ 2.7Å; E134-K145 PolarHBondContact OE2-NZ 3.48Å | ||
| 135 | D | 93.6 | Very high | 94 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -74.3 | 108.4 | 177.5 | -173.3 | -55 | 0 | 0 | 0 | 110.5 | K25 R103 V105 M133 D137 L138 V139 | K25-D135 IonicContact NZ-OD1 2.75Å; K25-D135 IonicContact NZ-OD2 2.82Å; K25-D135 PolarHBondContact NZ-OD2 2.9Å; R103-D135 IonicContact CZ-OD1 3.54Å; R103-D135 IonicContact CZ-OD2 2.7Å; R103-D135 VanDerWaalsContact NH1-CG 3.28Å; R103-D135 IonicContact NH1-OD1 2.62Å; R103-D135 IonicContact NH1-OD2 2.73Å; R103-D135 PolarHBondContact NH1-OD2 3.34Å; R103-D135 IonicContact NH2-OD1 2.64Å; R103-D135 PolarHBondContact NH2-OD1 3.44Å; R103-D135 IonicContact NH2-OD2 3.06Å; V105-D135 PolarHBondContact O-N 3.29Å; M133-D135 HydrophobicContact CG-CB 4.3Å; M133-D135 HydrophobicContact SD-CB 3.4Å; M133-D135 WeakPolarHBondContact SD-CB 3.25Å; D135-D137 VanDerWaalsContact C-N 3.31Å; D135-D137 PolarHBondContact O-N 2.92Å; D135-D137 WeakPolarHBondContact OD1-CB 3.3Å; D135-D137 PolarHBondContact OD1-N 2.9Å; D135-D137 VanDerWaalsContact OD1-N 3.11Å; D135-L138 HydrophobicContact CB-CB 4Å; D135-L138 WeakPolarHBondContact O-CB 3.49Å; D135-L138 PolarHBondContact O-N 2.84Å; D135-L138 WeakPolarHBondContact OD1-CB 3.45Å; D135-L138 PolarHBondContact OD1-N 3Å; D135-V139 PolarHBondContact O-N 3.36Å | ||
| 136 | E | 91.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 44.2 Ų | 44.2 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -75.6 | -15.6 | -177.2 | -60.5 | -56.6 | 140.8 | 0 | 0 | 113.8 | E134 S140 K145 | E134-E136 PolarHBondContact O-N 3.49Å; E136-S140 WeakPolarHBondContact O-CB 3.38Å; E136-S140 PolarHBondContact O-N 2.92Å; E136-S140 PolarHBondContact O-OG 3.42Å; E136-K145 IonicContact OE1-NZ 2.73Å; E136-K145 PolarHBondContact OE1-NZ 2.87Å |
| 137 | D | 91.1 | Very high | 93.4 | Very high | 92 Ų | 92 | 45.1 Ų | 45.1 | 49% | 0.492 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -77.4 | -37.9 | 175.9 | -52.5 | 2.9 | 0 | 0 | 0 | 108.8 | R103 D135 V139 S140 A141 | R103-D137 IonicContact CZ-OD1 3.27Å; R103-D137 VanDerWaalsContact CZ-OD1 3.23Å; R103-D137 IonicContact CZ-OD2 2.64Å; R103-D137 IonicContact NE-OD1 2.66Å; R103-D137 PolarHBondContact NE-OD1 3.03Å; R103-D137 VanDerWaalsContact NE-OD1 3.08Å; R103-D137 IonicContact NE-OD2 3.82Å; R103-D137 PolarHBondContact NE-OD2 3.35Å; R103-D137 IonicContact NH1-OD2 2.85Å; R103-D137 IonicContact NH2-OD1 2.75Å; R103-D137 PolarHBondContact NH2-OD1 3.15Å; R103-D137 IonicContact NH2-OD2 2.76Å; R103-D137 PolarHBondContact NH2-OD2 3.25Å; D135-D137 VanDerWaalsContact C-N 3.31Å; D135-D137 PolarHBondContact O-N 2.92Å; D135-D137 WeakPolarHBondContact OD1-CB 3.3Å; D135-D137 PolarHBondContact OD1-N 2.9Å; D135-D137 VanDerWaalsContact OD1-N 3.11Å; D137-V139 VanDerWaalsContact C-N 3.33Å; D137-S140 CarbonylContact O-C 3.54Å; D137-S140 WeakPolarHBondContact O-CB 3.24Å; D137-S140 PolarHBondContact O-N 3.33Å; D137-A141 WeakPolarHBondContact O-CB 3.26Å; D137-A141 PolarHBondContact O-N 3.37Å |
| 138 | L | 91.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 171.2 | -178.4 | 70.2 | 0 | 0 | 0 | 111.5 | K25 I28 M29 M133 D135 A141 F143 | K25-L138 HydrophobicContact CG-CD1 4.32Å; K25-L138 HydrophobicContact CG-CD2 4.33Å; I28-L138 HydrophobicContact CB-CD2 4.48Å; I28-L138 HydrophobicContact CG2-CD2 4.02Å; M29-L138 HydrophobicContact CG-CD1 3.48Å; M29-L138 VanDerWaalsContact CG-CD1 3.48Å; M29-L138 HydrophobicContact SD-CD1 3.92Å; M133-L138 HydrophobicContact CE-CD2 4.25Å; M133-L138 HydrophobicContact CG-CD2 3.48Å; M133-L138 VanDerWaalsContact CG-CD2 3.48Å; M133-L138 HydrophobicContact SD-CD2 3.75Å; D135-L138 HydrophobicContact CB-CB 4Å; D135-L138 WeakPolarHBondContact O-CB 3.49Å; D135-L138 PolarHBondContact O-N 2.84Å; D135-L138 WeakPolarHBondContact OD1-CB 3.45Å; D135-L138 PolarHBondContact OD1-N 3Å; L138-A141 PolarHBondContact O-N 2.85Å; L138-F143 HydrophobicContact CD1-CB 3.71Å; L138-F143 HydrophobicContact CD1-CD2 3.65Å; L138-F143 HydrophobicContact CD1-CE2 4.46Å; L138-F143 HydrophobicContact CD1-CG 3.8Å; L138-F143 HydrophobicContact CG-CB 3.87Å; L138-F143 HydrophobicContact CG-CD2 4.5Å; L138-F143 HydrophobicContact CG-CG 4.5Å; L138-F143 WeakPolarHBondContact O-CB 3.09Å; L138-F143 PolarHBondContact O-N 2.7Å; L138-F143 VanDerWaalsContact O-N 3.07Å |
| 139 | V | 90.3 | Very high | 93.4 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 171.1 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | D135 D137 A141 G142 K145 | D135-V139 PolarHBondContact O-N 3.36Å; D137-V139 VanDerWaalsContact C-N 3.33Å; V139-A141 VanDerWaalsContact C-N 3.26Å; V139-A141 PolarHBondContact O-N 3.14Å; V139-G142 WeakPolarHBondContact O-CA 3.18Å; V139-G142 PolarHBondContact O-N 2.82Å; V139-K145 HydrophobicContact CG2-CB 4.03Å; V139-K145 HydrophobicContact CG2-CD 3.61Å; V139-K145 HydrophobicContact CG2-CG 3.68Å |
| 140 | S | 92.1 | Very high | 93.4 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 74% | 0.741 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.3 | -29.6 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | E136 D137 G142 | E136-S140 WeakPolarHBondContact O-CB 3.38Å; E136-S140 PolarHBondContact O-N 2.92Å; E136-S140 PolarHBondContact O-OG 3.42Å; D137-S140 CarbonylContact O-C 3.54Å; D137-S140 WeakPolarHBondContact O-CB 3.24Å; D137-S140 PolarHBondContact O-N 3.33Å; S140-G142 PolarHBondContact O-N 3.06Å |
| 141 | A | 92.8 | Very high | 93.4 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 56% | 0.562 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | 5.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | D137 L138 V139 F143 | D137-A141 WeakPolarHBondContact O-CB 3.26Å; D137-A141 PolarHBondContact O-N 3.37Å; L138-A141 PolarHBondContact O-N 2.85Å; V139-A141 VanDerWaalsContact C-N 3.26Å; V139-A141 PolarHBondContact O-N 3.14Å; A141-F143 HydrophobicContact CB-CD2 3.9Å; A141-F143 HydrophobicContact CB-CE2 4.03Å |
| 142 | G | 92.3 | Very high | 93.3 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 68% | 0.68 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | 3.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | V139 S140 | V139-G142 WeakPolarHBondContact O-CA 3.18Å; V139-G142 PolarHBondContact O-N 2.82Å; S140-G142 PolarHBondContact O-N 3.06Å |
| 143 | F | 92.6 | Very high | 93.3 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 31% | 0.311 | 27% | 0.265 | S | S | . | . | trans | -85.6 | 140.1 | -178.6 | -62.9 | -87.4 | 0 | 0 | 0 | 112.4 | I28 M29 L138 A141 K145 | I28-F143 HydrophobicContact CG2-CB 4.09Å; M29-F143 HydrophobicContact CB-CE1 4.1Å; M29-F143 HydrophobicContact CB-CZ 4.25Å; M29-F143 HydrophobicContact CE-CE2 4.38Å; M29-F143 HydrophobicContact CE-CZ 4.47Å; M29-F143 HydrophobicContact CG-CD1 4.31Å; M29-F143 HydrophobicContact CG-CD2 4.34Å; M29-F143 HydrophobicContact CG-CE1 4.17Å; M29-F143 HydrophobicContact CG-CE2 4.18Å; M29-F143 HydrophobicContact CG-CG 4.4Å; M29-F143 HydrophobicContact CG-CZ 4.09Å; L138-F143 HydrophobicContact CD1-CB 3.71Å; L138-F143 HydrophobicContact CD1-CD2 3.65Å; L138-F143 HydrophobicContact CD1-CE2 4.46Å; L138-F143 HydrophobicContact CD1-CG 3.8Å; L138-F143 HydrophobicContact CG-CB 3.87Å; L138-F143 HydrophobicContact CG-CD2 4.5Å; L138-F143 HydrophobicContact CG-CG 4.5Å; L138-F143 WeakPolarHBondContact O-CB 3.09Å; L138-F143 PolarHBondContact O-N 2.7Å; L138-F143 VanDerWaalsContact O-N 3.07Å; A141-F143 HydrophobicContact CB-CD2 3.9Å; A141-F143 HydrophobicContact CB-CE2 4.03Å; F143-K145 PolarHBondContact O-N 2.8Å; F143-K145 VanDerWaalsContact O-N 3.12Å | ||
| 144 | S | 90.1 | Very high | 93.2 | Very high | 83 Ų | 83 | 43.3 Ų | 43.3 | 58% | 0.58 | 27% | 0.265 | S | S | * | . | trans | -77.9 | 97.3 | 177.8 | -71.9 | 0 | 0 | 0 | 0 | 111.8 | D146 A147 | S144-D146 PolarHBondContact O-N 3.12Å; S144-A147 WeakPolarHBondContact O-CB 3.46Å; S144-A147 PolarHBondContact O-N 3.28Å | ||
| 145 | K | 90.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 47 Ų | 47 | 20% | 0.2 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -17.1 | 171.8 | 68.3 | 168.9 | 173.1 | 173 | 0 | 114.3 | M133 E134 E136 V139 F143 | M133-K145 HydrophobicContact CB-CB 3.99Å; M133-K145 HydrophobicContact CG-CB 3.77Å; E134-K145 IonicContact OE2-NZ 2.7Å; E134-K145 PolarHBondContact OE2-NZ 3.48Å; E136-K145 IonicContact OE1-NZ 2.73Å; E136-K145 PolarHBondContact OE1-NZ 2.87Å; V139-K145 HydrophobicContact CG2-CB 4.03Å; V139-K145 HydrophobicContact CG2-CD 3.61Å; V139-K145 HydrophobicContact CG2-CG 3.68Å; F143-K145 PolarHBondContact O-N 2.8Å; F143-K145 VanDerWaalsContact O-N 3.12Å |
| 146 | D | 88 | Confident | 92.9 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 32% | 0.316 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -0.9 | -179.5 | -117.8 | 28.2 | 0 | 0 | 0 | 114.6 | R70 K72 S144 | R70-D146 WeakPolarHBondContact CB-O 3.29Å; R70-D146 WeakPolarHBondContact CD-O 3.46Å; R70-D146 IonicContact CZ-OD1 2.86Å; R70-D146 IonicContact CZ-OD2 3.11Å; R70-D146 IonicContact NE-OD1 3.97Å; R70-D146 IonicContact NH1-OD1 2.64Å; R70-D146 PolarHBondContact NH1-OD1 3.45Å; R70-D146 IonicContact NH1-OD2 2.71Å; R70-D146 PolarHBondContact NH1-OD2 2.75Å; R70-D146 IonicContact NH2-OD1 3.31Å; R70-D146 PolarHBondContact NH2-OD1 2.79Å; R70-D146 IonicContact NH2-OD2 2.7Å; K72-D146 WeakPolarHBondContact CE-OD2 3.39Å; K72-D146 IonicContact NZ-OD2 2.63Å; K72-D146 PolarHBondContact NZ-OD2 2.62Å; S144-D146 PolarHBondContact O-N 3.12Å |
| 147 | A | 91.6 | Very high | 92.5 | Very high | 42 Ų | 42 | 48.5 Ų | 48.5 | 35% | 0.347 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -74.4 | -49.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R70 S144 | R70-A147 PolarHBondContact N-O 2.88Å; R70-A147 VanDerWaalsContact N-O 3.13Å; S144-A147 WeakPolarHBondContact O-CB 3.46Å; S144-A147 PolarHBondContact O-N 3.28Å |
| 148 | Y | 95.5 | Very high | 91.5 | Very high | 54 Ų | 54 | 45 Ų | 45 | 21% | 0.212 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 154.9 | -177.9 | -71.5 | -87.9 | 0 | 0 | 0 | 111.2 | K27 E40 F67 C68 P69 | K27-Y148 HydrophobicContact CG-CD2 4.32Å; K27-Y148 HydrophobicContact CG-CG 4.33Å; E40-Y148 HydrophobicContact CG-CE1 4.18Å; E40-Y148 PolarHBondContact OE1-OH 3.38Å; F67-Y148 HydrophobicContact CB-CD1 4.3Å; C68-Y148 WeakPolarHBondContact O-CA 3.48Å; P69-Y148 HydrophobicContact CG-CD1 4.43Å; P69-Y148 HydrophobicContact CG-CE1 3.98Å |
| 149 | V | 96.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.2 | 158.2 | -62.8 | 0 | 0 | 0 | 0 | 109.1 | C68 R70 E130 Y131 R132 | C68-V149 HydrophobicContact CB-CG2 3.89Å; C68-V149 PolarHBondContact N-O 2.93Å; C68-V149 PolarHBondContact O-N 2.89Å; R70-V149 HydrophobicContact CG-CG1 4.39Å; E130-V149 HydrophobicContact CG-CB 4.27Å; E130-V149 HydrophobicContact CG-CG1 4.38Å; E130-V149 HydrophobicContact CG-CG2 4.31Å; Y131-V149 WeakPolarHBondContact O-CA 3.4Å; Y131-V149 WeakPolarHBondContact O-CB 3.14Å; R132-V149 HydrophobicContact CB-CG1 4.3Å |
| 150 | L | 97.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.7 | 167.9 | -177.3 | 161.5 | 0 | 0 | 0 | 108.1 | L19 L24 I38 F66 F67 Y131 | L19-L150 HydrophobicContact CB-CD1 4.2Å; L19-L150 HydrophobicContact CB-CD2 4.36Å; L19-L150 HydrophobicContact CD1-CD2 4.43Å; L19-L150 HydrophobicContact CD2-CD1 3.86Å; L19-L150 HydrophobicContact CD2-CD2 3.89Å; L19-L150 HydrophobicContact CG-CD2 4.47Å; L19-L150 WeakPolarHBondContact O-CD1 3.25Å; L24-L150 HydrophobicContact CB-CB 4.27Å; L24-L150 HydrophobicContact CB-CD1 4.43Å; L24-L150 HydrophobicContact CD1-CB 4.24Å; L24-L150 HydrophobicContact CD2-CB 4.35Å; I38-L150 HydrophobicContact CD1-CD1 3.57Å; I38-L150 HydrophobicContact CD1-CG 4.27Å; F66-L150 CarbonylContact O-C 3.58Å; F66-L150 WeakPolarHBondContact O-CA 3.14Å; F67-L150 HydrophobicContact CD1-CB 4.35Å; F67-L150 HydrophobicContact CE1-CB 4.44Å; F67-L150 HydrophobicContact CE1-CD1 3.96Å; F67-L150 HydrophobicContact CE1-CG 4.4Å; Y131-L150 WeakPolarHBondContact CB-O 3.49Å; Y131-L150 HydrophobicContact CD2-CD2 3.72Å; Y131-L150 WeakPolarHBondContact CD2-O 3.29Å; Y131-L150 HydrophobicContact CE2-CD2 4.21Å; Y131-L150 HydrophobicContact CG-CD2 4.29Å; Y131-L150 PolarHBondContact N-O 2.98Å; Y131-L150 PolarHBondContact O-N 3.36Å |
| 151 | C | 97.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.2 | -179.8 | -67 | 0 | 0 | 0 | 0 | 110.6 | L43 F65 F66 M128 Y129 | L43-C151 HydrophobicContact CD1-CB 3.43Å; L43-C151 VanDerWaalsContact CD1-CB 3.43Å; L43-C151 VanDerWaalsContact CD1-SG 3.54Å; F65-C151 WeakPolarHBondContact CA-O 3.33Å; F66-C151 PolarHBondContact N-O 3.46Å; F66-C151 PolarHBondContact O-N 3.03Å; M128-C151 HydrophobicContact CG-CB 4.11Å; M128-C151 HydrophobicContact SD-CB 4.06Å; M128-C151 VanDerWaalsContact SD-SG 3.65Å; Y129-C151 WeakPolarHBondContact O-CA 3.38Å |
| 152 | K | 96.7 | Very high | 85.9 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.7 | 165.6 | 171.6 | 173.6 | 169.5 | 155.5 | 0 | 108.5 | E63 W64 F65 M128 Y129 Y131 | E63-K152 WeakPolarHBondContact OE1-CE 3.43Å; E63-K152 IonicContact OE1-NZ 3.23Å; E63-K152 PolarHBondContact OE1-NZ 2.99Å; E63-K152 VanDerWaalsContact OE2-CE 3.29Å; E63-K152 WeakPolarHBondContact OE2-CE 3.42Å; E63-K152 IonicContact OE2-NZ 3.21Å; E63-K152 PolarHBondContact OE2-NZ 3.2Å; W64-K152 CarbonylContact O-C 3.54Å; W64-K152 WeakPolarHBondContact O-CA 3.26Å; F65-K152 HydrophobicContact CD1-CB 4Å; F65-K152 HydrophobicContact CD1-CD 4.49Å; F65-K152 HydrophobicContact CD1-CG 4.27Å; F65-K152 HydrophobicContact CE1-CB 3.95Å; F65-K152 HydrophobicContact CE1-CD 3.62Å; F65-K152 HydrophobicContact CE1-CG 3.86Å; F65-K152 HydrophobicContact CZ-CD 3.69Å; F65-K152 HydrophobicContact CZ-CG 4.03Å; M128-K152 CarbonylContact C-O 3.56Å; M128-K152 VanDerWaalsContact CA-O 3.28Å; M128-K152 WeakPolarHBondContact CA-O 3.27Å; Y129-K152 HydrophobicContact CD2-CD 4.24Å; Y129-K152 HydrophobicContact CD2-CG 4.49Å; Y129-K152 PolarHBondContact N-O 3.22Å; Y129-K152 PolarHBondContact O-N 2.89Å; Y131-K152 HydrophobicContact CE2-CB 4.12Å |
| 153 | I | 95.9 | Very high | 84.3 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.7 | -175.5 | -50.3 | -177.8 | 0 | 0 | 0 | 109.3 | L43 L51 E63 W64 F66 W89 W126 V127 M128 | L43-I153 HydrophobicContact CD1-CD1 3.86Å; L43-I153 HydrophobicContact CD2-CD1 4.18Å; L43-I153 HydrophobicContact CG-CD1 4.03Å; L51-I153 HydrophobicContact CB-CD1 4.49Å; L51-I153 HydrophobicContact CD1-CD1 3.33Å; L51-I153 HydrophobicContact CG-CD1 4.49Å; E63-I153 CarbonylContact C-O 3.52Å; E63-I153 WeakPolarHBondContact CA-O 3.26Å; W64-I153 PolarHBondContact N-O 2.89Å; W64-I153 PolarHBondContact O-N 2.82Å; F66-I153 HydrophobicContact CD2-CD1 3.63Å; F66-I153 HydrophobicContact CD2-CG1 4.08Å; F66-I153 HydrophobicContact CE2-CD1 3.68Å; F66-I153 HydrophobicContact CE2-CG1 4.17Å; W89-I153 HydrophobicContact CH2-CG2 4.3Å; W126-I153 HydrophobicContact CE3-CG2 4.21Å; W126-I153 HydrophobicContact CZ3-CG2 4.47Å; V127-I153 WeakPolarHBondContact O-CA 3.5Å; M128-I153 HydrophobicContact CB-CG1 4.5Å; M128-I153 HydrophobicContact CG-CG1 4.23Å |
| 154 | F | 94.4 | Very high | 82.7 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 166.1 | 177.1 | 60.1 | -80.6 | 0 | 0 | 0 | 110.6 | L62 E63 V127 Y129 K156 Y167 | L62-F154 WeakPolarHBondContact O-CA 3.3Å; L62-F154 VanDerWaalsContact O-CB 3.3Å; L62-F154 WeakPolarHBondContact O-CB 3.25Å; E63-F154 HydrophobicContact CG-CB 4.3Å; V127-F154 HydrophobicContact CB-CD1 4.36Å; V127-F154 HydrophobicContact CB-CD2 4.33Å; V127-F154 HydrophobicContact CB-CE1 3.81Å; V127-F154 HydrophobicContact CB-CE2 3.79Å; V127-F154 HydrophobicContact CB-CZ 3.51Å; V127-F154 HydrophobicContact CG1-CE1 3.69Å; V127-F154 HydrophobicContact CG1-CE2 4.19Å; V127-F154 HydrophobicContact CG1-CZ 3.43Å; V127-F154 VanDerWaalsContact CG1-CZ 3.43Å; V127-F154 HydrophobicContact CG2-CE2 4.14Å; V127-F154 HydrophobicContact CG2-CZ 4.2Å; V127-F154 PolarHBondContact N-O 2.79Å; V127-F154 PolarHBondContact O-N 2.8Å; Y129-F154 AromaticContact CD2-CE1 3.87Å; Y129-F154 HydrophobicContact CD2-CE1 3.87Å; Y129-F154 HydrophobicContact CE1-CE1 4.34Å; Y129-F154 HydrophobicContact CE1-CZ 4.39Å; Y129-F154 HydrophobicContact CE2-CD1 4.49Å; Y129-F154 AromaticContact CE2-CE1 3.44Å; Y129-F154 HydrophobicContact CE2-CE1 3.44Å; Y129-F154 VanDerWaalsContact CE2-CE1 3.44Å; Y129-F154 AromaticContact CE2-CZ 3.84Å; Y129-F154 HydrophobicContact CE2-CZ 3.84Å; Y129-F154 HydrophobicContact CG-CE1 4.47Å; Y129-F154 AromaticContact CZ-CE1 3.7Å; Y129-F154 AromaticContact CZ-CZ 3.68Å; F154-K156 HydrophobicContact CD2-CG 4.31Å; F154-K156 HydrophobicContact CE2-CG 3.92Å; F154-Y167 HydrophobicContact CD2-CD1 4.31Å; F154-Y167 HydrophobicContact CD2-CD2 4.36Å; F154-Y167 AromaticContact CD2-CE1 3.68Å; F154-Y167 HydrophobicContact CD2-CE1 3.68Å; F154-Y167 AromaticContact CD2-CE2 3.76Å; F154-Y167 HydrophobicContact CD2-CE2 3.76Å; F154-Y167 AromaticContact CD2-CZ 3.37Å; F154-Y167 WeakPolarHBondContact CD2-OH 3.23Å; F154-Y167 HydrophobicContact CE2-CE1 4.33Å; F154-Y167 AromaticContact CE2-CE2 3.94Å; F154-Y167 HydrophobicContact CE2-CE2 3.94Å; F154-Y167 AromaticContact CE2-CZ 3.61Å; F154-Y167 VanDerWaalsContact CE2-OH 3.26Å; F154-Y167 WeakPolarHBondContact CE2-OH 3.4Å; F154-Y167 HydrophobicContact CG-CE2 4.45Å |
| 155 | K | 92.6 | Very high | 81.8 | Confident | 112 Ų | 112 | 58.1 Ų | 58.1 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 121.9 | 176.2 | -170.3 | -172.2 | 178 | -172.6 | 0 | 109.5 | W126 | W126-K155 HydrophobicContact CD2-CB 3.98Å; W126-K155 HydrophobicContact CD2-CD 4.43Å; W126-K155 HydrophobicContact CD2-CG 4.05Å; W126-K155 HydrophobicContact CE3-CB 3.76Å; W126-K155 HydrophobicContact CE3-CG 4.36Å; W126-K155 HydrophobicContact CG-CG 4.49Å; W126-K155 HydrophobicContact CH2-CB 4.14Å; W126-K155 HydrophobicContact CH2-CD 4.41Å; W126-K155 HydrophobicContact CZ2-CB 4.32Å; W126-K155 HydrophobicContact CZ2-CD 3.9Å; W126-K155 HydrophobicContact CZ2-CG 4.37Å; W126-K155 HydrophobicContact CZ3-CB 3.87Å |
| 156 | K | 90.3 | Very high | 81 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 14% | 0.139 | 36% | 0.356 | C | S | . | . | trans | -74.2 | 159.4 | 176.5 | -59.8 | 178.8 | -58.7 | 88.9 | 0 | 111.9 | D125 V127 F154 G158 E165 | D125-K156 HydrophobicContact CB-CB 4.24Å; D125-K156 PolarHBondContact O-N 2.8Å; D125-K156 IonicContact OD1-NZ 3.7Å; D125-K156 PolarHBondContact OD1-NZ 3Å; V127-K156 HydrophobicContact CG2-CD 3.73Å; V127-K156 HydrophobicContact CG2-CG 3.96Å; F154-K156 HydrophobicContact CD2-CG 4.31Å; F154-K156 HydrophobicContact CE2-CG 3.92Å; K156-G158 PolarHBondContact NZ-O 3.41Å; K156-G158 PolarHBondContact O-N 3.46Å; K156-G158 VanDerWaalsContact O-N 3.15Å; K156-E165 VanDerWaalsContact CA-OE2 3.28Å; K156-E165 WeakPolarHBondContact CA-OE2 3.49Å; K156-E165 WeakPolarHBondContact CB-OE2 3.48Å | ||
| 157 | S | 81.9 | Confident | 80.7 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -86.9 | 33.6 | 176.3 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | E165 | S157-E165 WeakPolarHBondContact CA-OE1 3.29Å; S157-E165 VanDerWaalsContact CB-OE1 3.3Å; S157-E165 WeakPolarHBondContact CB-OE1 3.36Å; S157-E165 PolarHBondContact N-OE1 2.9Å; S157-E165 PolarHBondContact N-OE2 3.01Å |
| 158 | G | 71.5 | Confident | 80.2 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 130.7 | 178 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D125 K156 G160 | D125-G158 VanDerWaalsContact OD1-O 3.13Å; D125-G158 VanDerWaalsContact OD2-CA 3.28Å; D125-G158 WeakPolarHBondContact OD2-CA 3.39Å; K156-G158 PolarHBondContact NZ-O 3.41Å; K156-G158 PolarHBondContact O-N 3.46Å; K156-G158 VanDerWaalsContact O-N 3.15Å; G158-G160 PolarHBondContact O-N 2.93Å |
| 159 | L | 66.4 | Low | 79.5 | Confident | 134 Ų | 134 | 59.2 Ų | 59.2 | 70% | 0.702 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -73.2 | 85.9 | -175.5 | -66.4 | 175.3 | 0 | 0 | 0 | 113.6 | ||
| 160 | G | 61.1 | Low | 78.8 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 32% | 0.32 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 174 | 177.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G158 | G158-G160 PolarHBondContact O-N 2.93Š|
| 161 | P | 56 | Low | 78.1 | Confident | 134 Ų | 134 | 71 Ų | 71 | 87% | 0.87 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 118.9 | 153.5 | -3.3 | 22 | 0 | 0 | 0 | 108 | ||
| 162 | R | 65.5 | Low | 77.3 | Confident | 166 Ų | 166 | 74 Ų | 74 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -97.5 | 133.2 | 161.7 | -61.4 | -55.4 | -166.4 | 167.9 | 6.2 | 108.2 | E165 | R162-E165 HydrophobicContact CB-CB 4.24Å; R162-E165 HydrophobicContact CB-CG 3.73Å; R162-E165 WeakPolarHBondContact CB-OE1 3.27Å; R162-E165 HydrophobicContact CG-CG 4.14Å; R162-E165 WeakPolarHBondContact CG-OE1 3.46Å |
| 163 | I | 57.2 | Low | 76.6 | Confident | 158 Ų | 158 | 79.3 Ų | 79.3 | 81% | 0.81 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 135.5 | 166.1 | -58.3 | 173.1 | 0 | 0 | 0 | 105.8 | ||
| 164 | G | 59.9 | Low | 75.9 | Confident | 71 Ų | 71 | 84.7 Ų | 84.7 | 73% | 0.732 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 19.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q166 | G164-Q166 PolarHBondContact O-N 3.27Š|
| 165 | E | 70.8 | Confident | 74.9 | Confident | 37 Ų | 37 | 87.3 Ų | 87.3 | 17% | 0.173 | 48% | 0.479 | C | S | . | . | trans | -68.7 | 99.3 | 168.9 | -106.7 | -179.9 | -151.4 | 0 | 0 | 110.2 | K156 S157 R162 Y167 | K156-E165 VanDerWaalsContact CA-OE2 3.28Å; K156-E165 WeakPolarHBondContact CA-OE2 3.49Å; K156-E165 WeakPolarHBondContact CB-OE2 3.48Å; S157-E165 WeakPolarHBondContact CA-OE1 3.29Å; S157-E165 VanDerWaalsContact CB-OE1 3.3Å; S157-E165 WeakPolarHBondContact CB-OE1 3.36Å; S157-E165 PolarHBondContact N-OE1 2.9Å; S157-E165 PolarHBondContact N-OE2 3.01Å; R162-E165 HydrophobicContact CB-CB 4.24Å; R162-E165 HydrophobicContact CB-CG 3.73Å; R162-E165 WeakPolarHBondContact CB-OE1 3.27Å; R162-E165 HydrophobicContact CG-CG 4.14Å; R162-E165 WeakPolarHBondContact CG-OE1 3.46Å; E165-Y167 HydrophobicContact CB-CE1 4.23Å; E165-Y167 HydrophobicContact CB-CE2 4.42Å; E165-Y167 PolarHBondContact OE2-OH 3.24Å | ||
| 166 | Q | 73.7 | Confident | 73.9 | Confident | 159 Ų | 159 | 86.2 Ų | 86.2 | 74% | 0.743 | 47% | 0.472 | S | S | * | . | trans | -82.6 | 112.4 | 175.2 | -173.9 | 177.2 | 19.2 | 0 | 0 | 110.1 | G164 | G164-Q166 PolarHBondContact O-N 3.27Š| ||
| 167 | Y | 82.2 | Confident | 72.8 | Confident | 39 Ų | 39 | 90.7 Ų | 90.7 | 15% | 0.153 | 50% | 0.497 | C | S | . | . | trans | -92.7 | -3.3 | 175.9 | -52.5 | -69 | 0 | 0 | 0 | 113.6 | L62 E63 F154 E165 | L62-Y167 PolarHBondContact N-O 3.18Å; E63-Y167 HydrophobicContact CG-CD2 4.27Å; E63-Y167 HydrophobicContact CG-CG 4.01Å; E63-Y167 VanDerWaalsContact OE1-CD2 3.28Å; E63-Y167 WeakPolarHBondContact OE1-CD2 3.49Å; F154-Y167 HydrophobicContact CD2-CD1 4.31Å; F154-Y167 HydrophobicContact CD2-CD2 4.36Å; F154-Y167 AromaticContact CD2-CE1 3.68Å; F154-Y167 HydrophobicContact CD2-CE1 3.68Å; F154-Y167 AromaticContact CD2-CE2 3.76Å; F154-Y167 HydrophobicContact CD2-CE2 3.76Å; F154-Y167 AromaticContact CD2-CZ 3.37Å; F154-Y167 WeakPolarHBondContact CD2-OH 3.23Å; F154-Y167 HydrophobicContact CE2-CE1 4.33Å; F154-Y167 AromaticContact CE2-CE2 3.94Å; F154-Y167 HydrophobicContact CE2-CE2 3.94Å; F154-Y167 AromaticContact CE2-CZ 3.61Å; F154-Y167 VanDerWaalsContact CE2-OH 3.26Å; F154-Y167 WeakPolarHBondContact CE2-OH 3.4Å; F154-Y167 HydrophobicContact CG-CE2 4.45Å; E165-Y167 HydrophobicContact CB-CE1 4.23Å; E165-Y167 HydrophobicContact CB-CE2 4.42Å; E165-Y167 PolarHBondContact OE2-OH 3.24Å | ||
| 168 | G | 81.3 | Confident | 71.8 | Confident | 19 Ų | 19 | 91.4 Ų | 91.4 | 20% | 0.196 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -66.2 | 138.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | D61 | D61-G168 VanDerWaalsContact OD1-CA 3.31Å; D61-G168 WeakPolarHBondContact OD1-CA 3.31Å |
| 169 | A | 79.7 | Confident | 71.2 | Confident | 8 Ų | 8 | 92.7 Ų | 92.7 | 7% | 0.066 | 50% | 0.503 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 143.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R11 K60 D61 | R11-A169 VanDerWaalsContact CZ-O 3.32Å; R11-A169 PolarHBondContact NH1-O 2.92Å; R11-A169 VanDerWaalsContact NH2-CB 3.25Å; R11-A169 PolarHBondContact NH2-O 3.27Å; K60-A169 HydrophobicContact CB-CB 3.39Å; K60-A169 WeakPolarHBondContact O-CB 3.42Å; D61-A169 PolarHBondContact OD1-N 3.13Å |
| 170 | P | 81.5 | Confident | 70.7 | Confident | 120 Ų | 120 | 95.2 Ų | 95.2 | 78% | 0.779 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 153.3 | 172.9 | -26.2 | 34.9 | 0 | 0 | 0 | 112.8 | ||
| 171 | F | 82.8 | Confident | 70.5 | Confident | 131 Ų | 131 | 99.8 Ų | 99.8 | 58% | 0.575 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 148.4 | 165.7 | 177.6 | -115.9 | 0 | 0 | 0 | 110.2 | P8 E173 W176 | P8-F171 HydrophobicContact CB-CD2 4.13Å; P8-F171 HydrophobicContact CB-CE2 4.04Å; P8-F171 HydrophobicContact CG-CE2 4.33Å; F171-E173 HydrophobicContact CD1-CG 4.28Å; F171-E173 HydrophobicContact CE1-CG 3.38Å; F171-E173 HydrophobicContact CZ-CG 3.78Å; F171-W176 AromaticContact CE2-CD1 3.84Å |
| 172 | N | 81.3 | Confident | 70.1 | Confident | 63 Ų | 63 | 101.5 Ų | 101.5 | 34% | 0.337 | 53% | 0.529 | S | S | . | . | trans | -148.9 | 121.5 | 178.9 | -175.2 | 21.4 | 0 | 0 | 0 | 108.8 | E175 | N172-E175 HydrophobicContact CB-CG 4.28Å; N172-E175 WeakPolarHBondContact CB-OE1 3.5Å; N172-E175 PolarHBondContact ND2-OE1 3.48Å | ||
| 173 | E | 82.6 | Confident | 68.9 | Low | 132 Ų | 132 | 99.9 Ų | 99.9 | 62% | 0.617 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -71 | -39.9 | -172.9 | -68.5 | 167.4 | 176.5 | 0 | 0 | 111.2 | F171 E175 W176 D177 | F171-E173 HydrophobicContact CD1-CG 4.28Å; F171-E173 HydrophobicContact CE1-CG 3.38Å; F171-E173 HydrophobicContact CZ-CG 3.78Å; E173-E175 PolarHBondContact O-N 3.04Å; E173-W176 PolarHBondContact O-N 3.23Å; E173-D177 PolarHBondContact O-N 3.11Å |
| 174 | D | 80.6 | Confident | 67.9 | Low | 114 Ų | 114 | 97.5 Ų | 97.5 | 61% | 0.61 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -50.7 | -25 | 176.7 | -65.2 | -25.8 | 0 | 0 | 0 | 114.2 | N178 | D174-N178 PolarHBondContact O-ND2 2.84Š|
| 175 | E | 73.6 | Confident | 67 | Low | 59 Ų | 59 | 100.4 Ų | 100.4 | 28% | 0.276 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -84.6 | -12.2 | -177 | -67.2 | 178.6 | -141 | 0 | 0 | 113.9 | Q3 K60 N172 E173 | Q3-E175 PolarHBondContact NE2-O 3.18Å; K60-E175 IonicContact NZ-OE1 2.64Å; K60-E175 PolarHBondContact NZ-OE1 2.72Å; K60-E175 IonicContact NZ-OE2 3.55Å; K60-E175 PolarHBondContact NZ-OE2 2.64Å; N172-E175 HydrophobicContact CB-CG 4.28Å; N172-E175 WeakPolarHBondContact CB-OE1 3.5Å; N172-E175 PolarHBondContact ND2-OE1 3.48Å; E173-E175 PolarHBondContact O-N 3.04Å |
| 176 | W | 71.9 | Confident | 65.4 | Low | 90 Ų | 90 | 107.2 Ų | 107.2 | 34% | 0.341 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.6 | -38.2 | -178.1 | -73.2 | 90.8 | 0 | 0 | 0 | 112.3 | L6 P8 F171 E173 N178 A179 | L6-W176 VanDerWaalsContact O-CH2 3.24Å; L6-W176 WeakPolarHBondContact O-CH2 3.38Å; P8-W176 HydrophobicContact CB-CZ2 4.05Å; P8-W176 VanDerWaalsContact CD-CZ2 3.46Å; P8-W176 HydrophobicContact CG-CD2 4.19Å; P8-W176 HydrophobicContact CG-CZ2 4.19Å; F171-W176 AromaticContact CE2-CD1 3.84Å; E173-W176 PolarHBondContact O-N 3.23Å; W176-N178 PolarHBondContact O-N 3.37Å; W176-A179 VanDerWaalsContact O-CB 3.26Å; W176-A179 WeakPolarHBondContact O-CB 3.41Å; W176-A179 PolarHBondContact O-N 2.58Å; W176-A179 VanDerWaalsContact O-N 3.08Å |
| 177 | D | 67.7 | Low | 63.4 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 67% | 0.668 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -14.2 | 176.7 | -64.9 | -12.5 | 0 | 0 | 0 | 113.9 | E173 | E173-D177 PolarHBondContact O-N 3.11Š|
| 178 | N | 60.3 | Low | 61.4 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 60% | 0.599 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 10.3 | -179.4 | -69.7 | -84.6 | 0 | 0 | 0 | 113.8 | D174 W176 E180 | D174-N178 PolarHBondContact O-ND2 2.84Å; W176-N178 PolarHBondContact O-N 3.37Å; N178-E180 PolarHBondContact O-N 3.29Å |
| 179 | A | 59.2 | Low | 59.1 | Low | 44 Ų | 44 | 114 Ų | 114 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | trans | -80.8 | -9.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | W176 V181 | W176-A179 VanDerWaalsContact O-CB 3.26Å; W176-A179 WeakPolarHBondContact O-CB 3.41Å; W176-A179 PolarHBondContact O-N 2.58Å; W176-A179 VanDerWaalsContact O-N 3.08Å; A179-V181 PolarHBondContact O-N 3.47Å | ||
| 180 | E | 56.7 | Low | 56.9 | Low | 187 Ų | 187 | 119.2 Ų | 119.2 | 87% | 0.874 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 0.5 | -167.3 | -58.3 | -167.8 | 149.4 | 0 | 0 | 116.5 | N178 | N178-E180 PolarHBondContact O-N 3.29Š|
| 181 | V | 55.8 | Low | 54.9 | Low | 127 Ų | 127 | 118.9 Ų | 118.9 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -21.7 | -162.7 | -173.1 | 0 | 0 | 0 | 0 | 115.2 | A179 | A179-V181 PolarHBondContact O-N 3.47Š|
| 182 | E | 48.1 | Very low | 52.9 | Low | 170 Ų | 170 | 121.4 Ų | 121.4 | 79% | 0.794 | 66% | 0.659 | S | S | * | * | trans | -122.3 | 36.8 | -171.9 | -65.1 | -161.5 | 164.9 | 0 | 0 | 115.6 | S184 | E182-S184 VanDerWaalsContact C-N 3.3Å; E182-S184 PolarHBondContact O-N 3.25Å | ||
| 183 | T | 39.5 | Very low | 51.2 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 82% | 0.816 | 68% | 0.681 | S | S | * | * | trans | -78 | 66.4 | 176.3 | -50.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 184 | S | 37 | Very low | 49.3 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | -162.1 | 61.2 | 166.6 | 51.7 | 0 | 0 | 0 | 0 | 115.7 | E182 | E182-S184 VanDerWaalsContact C-N 3.3Å; E182-S184 PolarHBondContact O-N 3.25Å | ||
| 185 | L | 39.8 | Very low | 47.4 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | trans | -151.6 | 62.6 | 173.4 | -112 | 161.8 | 0 | 0 | 0 | 116.2 | P187 | L185-P187 HydrophobicContact CD2-CB 3.84Å; L185-P187 HydrophobicContact CD2-CG 3.83Å; L185-P187 VanDerWaalsContact O-CD 3.31Å; L185-P187 WeakPolarHBondContact O-CD 3.46Å | ||
| 186 | F | 38.7 | Very low | 45.9 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 79% | 0.789 | 72% | 0.724 | S | S | * | * | trans | -91.4 | 98.6 | 140.6 | -81.1 | -75.1 | 0 | 0 | 0 | 107.8 | L188 | F186-L188 PolarHBondContact O-N 3.31Š| ||
| 187 | P | 31.8 | Very low | 44.4 | Very low | 88 Ų | 88 | 134 Ų | 134 | 57% | 0.571 | 75% | 0.75 | S | S | * | * | trans | -79.7 | 55.4 | -179.4 | 33.8 | -34.4 | 0 | 0 | 0 | 111.6 | L185 T189 | L185-P187 HydrophobicContact CD2-CB 3.84Å; L185-P187 HydrophobicContact CD2-CG 3.83Å; L185-P187 VanDerWaalsContact O-CD 3.31Å; L185-P187 WeakPolarHBondContact O-CD 3.46Å; P187-T189 HydrophobicContact CB-CG2 4.41Å; P187-T189 PolarHBondContact O-N 2.97Å | ||
| 188 | L | 38.4 | Very low | 43 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | trans | -78.2 | 62.6 | 161.5 | -64.2 | -175.7 | 0 | 0 | 0 | 108.7 | F186 C190 | F186-L188 PolarHBondContact O-N 3.31Å; L188-C190 PolarHBondContact O-N 2.61Å | ||
| 189 | T | 33.1 | Very low | 42.1 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -76.3 | 71.9 | -177.5 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | P187 S191 | P187-T189 HydrophobicContact CB-CG2 4.41Å; P187-T189 PolarHBondContact O-N 2.97Å; T189-S191 PolarHBondContact O-N 3.33Å | ||
| 190 | C | 35.3 | Very low | 40.9 | Very low | 117 Ų | 117 | 146 Ų | 146 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -64 | 116.5 | 157.3 | -71.9 | 0 | 0 | 0 | 0 | 107.7 | L188 E192 | L188-C190 PolarHBondContact O-N 2.61Å; C190-E192 PolarHBondContact O-N 2.95Å; C190-E192 VanDerWaalsContact O-N 3.08Å | ||
| 191 | S | 38.2 | Very low | 40.3 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -69 | 106 | -176.3 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | T189 V193 | T189-S191 PolarHBondContact O-N 3.33Å; S191-V193 PolarHBondContact O-N 3.35Å | ||
| 192 | E | 40.5 | Very low | 39.7 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -60.1 | 123.7 | 172 | -75.8 | -169.4 | 111.4 | 0 | 0 | 111.4 | C190 N194 | C190-E192 PolarHBondContact O-N 2.95Å; C190-E192 VanDerWaalsContact O-N 3.08Å; E192-N194 PolarHBondContact O-N 3.44Å | ||
| 193 | V | 47 | Very low | 39.3 | Very low | 131 Ų | 131 | 142 Ų | 142 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -92.7 | 93.5 | 173.4 | -77.8 | 0 | 0 | 0 | 0 | 109.4 | S191 P195 | S191-V193 PolarHBondContact O-N 3.35Å; V193-P195 VanDerWaalsContact O-CD 3.23Å; V193-P195 WeakPolarHBondContact O-CD 3.3Å | ||
| 194 | N | 41.2 | Very low | 39.5 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -50.1 | 117.5 | 177 | -98.9 | -67.2 | 0 | 0 | 0 | 112.2 | E192 T196 | E192-N194 PolarHBondContact O-N 3.44Å; N194-T196 PolarHBondContact O-N 2.64Å | ||
| 195 | P | 41.4 | Very low | 39.5 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -82.5 | 109.4 | 171 | -4.3 | 23.1 | 0 | 0 | 0 | 109.5 | V193 | V193-P195 VanDerWaalsContact O-CD 3.23Å; V193-P195 WeakPolarHBondContact O-CD 3.3Å | ||
| 196 | T | 43.1 | Very low | 39.5 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 139.7 | -179.8 | -47.4 | 0 | 0 | 0 | 0 | 112.2 | N194 | N194-T196 PolarHBondContact O-N 2.64Š|
| 197 | E | 40.3 | Very low | 39.5 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 136 | -171.9 | -59.6 | 177.2 | 107 | 0 | 0 | 114.8 | ||
| 198 | G | 36.5 | Very low | 39.8 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83 | 119.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R200 | G198-R200 PolarHBondContact O-N 2.64Š|
| 199 | Q | 42.6 | Very low | 39.9 | Very low | 202 Ų | 202 | 137.9 Ų | 137.9 | 94% | 0.944 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.2 | 170.2 | -76.6 | -164.3 | -23.5 | 0 | 0 | 112.2 | ||
| 200 | R | 34.6 | Very low | 40.3 | Very low | 253 Ų | 253 | 139.5 Ų | 139.5 | 96% | 0.955 | 83% | 0.826 | S | S | * | * | trans | -88.3 | 112.1 | -174.6 | -177.5 | -175.4 | -171.6 | 174.5 | 4.5 | 111.8 | G198 | G198-R200 PolarHBondContact O-N 2.64Š| ||
| 201 | A | 44.1 | Very low | 40.7 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 83% | 0.826 | S | S | * | * | trans | -122.6 | 156.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 202 | Q | 43.5 | Very low | 41.2 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 83% | 0.827 | S | S | * | * | trans | -91.8 | 149.1 | -163.8 | -60.9 | -178.3 | 1.9 | 0 | 0 | 114 | ||||
| 203 | P | 38.2 | Very low | 41.3 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | trans | -81.5 | 143.2 | 168.3 | 33.9 | -33.2 | 0 | 0 | 0 | 111.8 | ||||
| 204 | T | 44.2 | Very low | 40.9 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -132.7 | 145.1 | 164.4 | -69.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 205 | V | 37.1 | Very low | 41.5 | Very low | 127 Ų | 127 | 140 Ų | 140 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -105 | 136 | -163.6 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 206 | L | 40.1 | Very low | 41.9 | Very low | 174 Ų | 174 | 139 Ų | 139 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -175.6 | 155.5 | 131.4 | -100 | 163.1 | 0 | 0 | 0 | 114.3 | ||||
| 207 | A | 38.4 | Very low | 41.9 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -91.4 | 163.4 | -155.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 208 | G | 38 | Very low | 42.4 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 113 | 152.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 209 | A | 39.8 | Very low | 42.4 | Very low | 87 Ų | 87 | 144.2 Ų | 144.2 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | cis | -171.6 | 164.9 | -17.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 210 | L | 42.2 | Very low | 42.7 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | 70.7 | 142.3 | -179.9 | -76.7 | 60.1 | 0 | 0 | 0 | 114.3 | ||||
| 211 | L | 44 | Very low | 43 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | cis | 73.7 | 131 | 44.1 | -60.7 | 161.7 | 0 | 0 | 0 | 111.9 | ||||
| 212 | E | 48.7 | Very low | 43.5 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | cis | -154.2 | -174.5 | 10 | -110.6 | -114.4 | 116.1 | 0 | 0 | 110.3 | ||||
| 213 | P | 42.2 | Very low | 43.2 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | trans | -103.6 | -179.2 | -155.5 | 40.9 | -39.9 | 0 | 0 | 0 | 120.1 | ||||
| 214 | E | 39.2 | Very low | 43.3 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -40.7 | 169.6 | 160.3 | -77.2 | -85.2 | 137 | 0 | 0 | 116.2 | ||||
| 215 | P | 54 | Low | 43 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 82% | 0.815 | S | S | * | * | cis | -138.9 | -135.1 | 18.7 | 42.5 | -19.3 | 0 | 0 | 0 | 112 | ||||
| 216 | P | 49 | Very low | 43.2 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 64% | 0.643 | 81% | 0.812 | S | S | * | * | cis | -134.3 | 174.5 | -26.8 | 38.4 | -19.5 | 0 | 0 | 0 | 117.7 | ||||
| 217 | L | 42.2 | Very low | 43.3 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -3 | 144.8 | 155 | -57.5 | 173.9 | 0 | 0 | 0 | 122.7 | ||||
| 218 | H | 51.4 | Low | 43.2 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -136.7 | 146.4 | 155.5 | -83.3 | -76.2 | 0 | 0 | 0 | 113.4 | ||||
| 219 | N | 37.7 | Very low | 43.3 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -89 | 158.1 | 178 | -68.3 | -26.8 | 0 | 0 | 0 | 113 | ||||
| 220 | S | 48.1 | Very low | 43.2 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -161.2 | 146.8 | 141.1 | -83.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 221 | S | 41.1 | Very low | 43.1 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -132.5 | 146.5 | 179.9 | 54.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 222 | S | 53.5 | Low | 42.9 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -155.2 | 143.9 | 163.2 | 60.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 223 | T | 38.1 | Very low | 42.4 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -120.4 | 145.6 | 177.5 | 37.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 224 | C | 41.1 | Very low | 42.2 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 95% | 0.946 | 82% | 0.824 | S | S | * | * | trans | -173.1 | 164.8 | 144.4 | -106.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 225 | A | 37.5 | Very low | 42.1 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -114.4 | 161.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 226 | G | 41 | Very low | 41.3 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | -179.3 | 90.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 227 | E | 41.3 | Very low | 41.5 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | trans | 40.6 | 108.8 | 136.8 | -61.3 | 173 | 151.5 | 0 | 0 | 121.9 | ||||
| 228 | E | 37.4 | Very low | 41.2 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | 27.8 | 125.4 | 129.1 | -54.7 | -177 | -158.2 | 0 | 0 | 122.6 | |||||
| 229 | S | 40.5 | Very low | 40.8 | Very low | 134 Ų | 134 | 136 Ų | 136 | 94% | 0.937 | 83% | 0.833 | S | S | * | * | trans | -173.5 | 176 | 135.7 | 43.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 230 | S | 37.9 | Very low | 40.6 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -142.4 | 145.4 | -163.3 | 166.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 231 | F | 38.4 | Very low | 40.1 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 90% | 0.899 | 82% | 0.824 | S | S | * | * | trans | -174.8 | 150.1 | 134.5 | -132.7 | -105.5 | 0 | 0 | 0 | 116.8 | ||||
| 232 | G | 40.9 | Very low | 39.8 | Very low | 67 Ų | 67 | 135.8 Ų | 135.8 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | trans | 79 | 135.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 233 | H | 38.3 | Very low | 39.3 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | cis | 116.1 | 92.1 | -5.1 | -166.7 | -68.7 | 0 | 0 | 0 | 118.3 | ||||
| 234 | A | 38.3 | Very low | 39.3 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -176.6 | 136.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 235 | T | 36.8 | Very low | 39.1 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | cis | 72.1 | 129.8 | 42.1 | 67.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 236 | A | 37.1 | Very low | 39.1 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | cis | -162.3 | -138 | -6.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 237 | E | 52.6 | Low | 38.9 | Very low | 192 Ų | 192 | 136 Ų | 136 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | 74.5 | 109.9 | -179.4 | -53.6 | -173.8 | -168.1 | 0 | 0 | 114.5 | ||||
| 238 | D | 36.8 | Very low | 38.8 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | cis | 100.2 | 135.6 | 25.6 | -166.9 | 33.6 | 0 | 0 | 0 | 114.8 | ||||
| 239 | L | 42.3 | Very low | 38.8 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | 174.9 | 111.5 | 150.5 | -99.4 | -177.9 | 0 | 0 | 0 | 109.5 | ||||
| 240 | T | 33.2 | Very low | 38.7 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -113.7 | 155.5 | 175.8 | 57.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 241 | F | 37.6 | Very low | 38.9 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -144.5 | 142.9 | 156.1 | -155.6 | -99.9 | 0 | 0 | 0 | 111.4 | ||||
| 242 | S | 36.2 | Very low | 38.8 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -159.2 | 137 | -164.9 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 243 | H | 41.8 | Very low | 38.8 | Very low | 173 Ų | 173 | 131 Ų | 131 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -167.4 | 152.9 | 160.7 | -88.7 | -76.5 | 0 | 0 | 0 | 108.4 | ||||
| 244 | S | 37.4 | Very low | 38.8 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | cis | -176 | 125.2 | -16.9 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 245 | V | 37.7 | Very low | 38.8 | Very low | 136 Ų | 136 | 129.1 Ų | 129.1 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 46.1 | 134.7 | 133 | -170.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 246 | A | 37.3 | Very low | 38.6 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | cis | -164.5 | 154.9 | 34.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 247 | S | 37.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 55.4 | 155.1 | 133.2 | -43.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 248 | S | 38.9 | Very low | 37.7 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | cis | -157.9 | 159.2 | 19.8 | -39.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 249 | A | 37.5 | Very low | 37.5 | Very low | 88 Ų | 88 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 54.8 | 127.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 250 | I | 38 | Very low | 37 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | cis | 106.1 | 140.5 | 14.8 | -55.7 | 162.9 | 0 | 0 | 0 | 114.6 | ||||
| 251 | Q | 42.3 | Very low | 36.8 | Very low | 179 Ų | 179 | 127.4 Ų | 127.4 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | 86.9 | 145.2 | 176.6 | -52.9 | -168.2 | -14.8 | 0 | 0 | 117.4 | ||||
| 252 | D | 36.8 | Very low | 36.5 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | cis | -176.9 | 169.2 | -31.7 | -126.9 | -76 | 0 | 0 | 0 | 108.2 | ||||
| 253 | T | 40.1 | Very low | 36.3 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | cis | -151.8 | 154.3 | -0.5 | -51.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 254 | P | 38.9 | Very low | 35.6 | Very low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -117.6 | 162 | -168.9 | 41.5 | -33.9 | 0 | 0 | 0 | 118.7 | ||||
| 255 | A | 37 | Very low | 35.4 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -171.2 | 159.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 256 | R | 34.2 | Very low | 35 | Very low | 217 Ų | 217 | 125.1 Ų | 125.1 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | cis | -164.8 | 139.3 | 3.6 | -146.3 | -166.2 | 162.9 | 172.4 | -5.3 | 110.5 | ||||
| 257 | M | 36.7 | Very low | 34.6 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 64.3 | 149.4 | 158.4 | -46.3 | -142.6 | 76.8 | 0 | 0 | 118.4 | ||||
| 258 | S | 32.4 | Very low | 34.3 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | cis | -166.4 | 152.6 | -18.7 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 259 | G | 33 | Very low | 34 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | 134.4 | 92.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 260 | D | 32.9 | Very low | 33.7 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | 38.7 | 128.8 | 142.3 | -49.1 | -23.5 | 0 | 0 | 0 | 122.8 | ||||
| 261 | G | 27.6 | Very low | 33.5 | Very low | 79 Ų | 79 | 132.6 Ų | 132.6 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | 99.5 | 66.9 | 134.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 262 | V | 31.7 | Very low | 33 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -129.5 | 128 | 161.8 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 263 | V | 32.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -80.7 | 136.2 | 175.5 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 264 | S | 26.3 | Very low | 32.7 | Very low | 92 Ų | 92 | 128 Ų | 128 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | -78.3 | 132.3 | 174.3 | -177 | 0 | 0 | 0 | 0 | 111 | ||||
| 265 | V | 33.9 | Very low | 32.5 | Very low | 134 Ų | 134 | 129 Ų | 129 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | -116.5 | 73.7 | 172.8 | -171.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 266 | N | 28.6 | Very low | 32.6 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -99.5 | 97 | 165.5 | -75.7 | -10.4 | 0 | 0 | 0 | 108.6 | ||||
| 267 | N | 29.4 | Very low | 33 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 171.1 | 101.6 | 148.2 | -91.2 | -16.1 | 0 | 0 | 0 | 111.3 | ||||
| 268 | I | 31.7 | Very low | 33.4 | Very low | 174 Ų | 174 | 123.9 Ų | 123.9 | 89% | 0.892 | 74% | 0.737 | S | S | * | * | trans | -131.2 | 75.2 | 148 | -55.4 | -177.8 | 0 | 0 | 0 | 106.7 | ||||
| 269 | S | 33 | Very low | 34.3 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | trans | -90.7 | 128 | 167.9 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 270 | N | 29.7 | Very low | 35.5 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | 41 | 94.5 | 157.9 | -58.5 | -6.4 | 0 | 0 | 0 | 117.4 | ||||
| 271 | V | 34.4 | Very low | 36.7 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | trans | -109.1 | 83.4 | 151.3 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 272 | A | 31.3 | Very low | 38.7 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 66% | 0.661 | 69% | 0.692 | S | S | * | * | trans | -93.3 | 139.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 273 | N | 34.7 | Very low | 40.7 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | 62.6 | 107.9 | -179 | -49.3 | -25.4 | 0 | 0 | 0 | 115.3 | ||||
| 274 | D | 36.4 | Very low | 42.4 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | -179.7 | 113.9 | 102 | -97.6 | -21.6 | 0 | 0 | 0 | 110.8 | R276 | D274-R276 HydrophobicContact CB-CB 3.94Å; D274-R276 WeakPolarHBondContact OD1-CD 3.24Å | |||
| 275 | M | 34.1 | Very low | 44.6 | Very low | 140 Ų | 140 | 120.3 Ų | 120.3 | 69% | 0.69 | 64% | 0.642 | S | S | * | * | trans | -99.7 | 80.6 | 151 | -74.6 | -72.5 | -63.1 | 0 | 0 | 105.1 | K32 | K32-M275 HydrophobicContact CD-SD 4.48Å; K32-M275 PolarHBondContact NZ-SD 3.4Å | ||
| 276 | R | 39 | Very low | 46.6 | Very low | 211 Ų | 211 | 117.6 Ų | 117.6 | 80% | 0.796 | 63% | 0.629 | S | S | * | * | trans | -137.1 | 35.5 | -165.6 | -142.4 | 172.3 | -170.7 | -154.9 | -0.7 | 115.2 | D274 | D274-R276 HydrophobicContact CB-CB 3.94Å; D274-R276 WeakPolarHBondContact OD1-CD 3.24Å | ||
| 277 | S | 44.1 | Very low | 48.7 | Very low | 46 Ų | 46 | 113.1 Ų | 113.1 | 32% | 0.322 | 60% | 0.604 | S | S | . | * | trans | -144.8 | 123.3 | 168.4 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | R279 | S277-R279 PolarHBondContact O-N 3.05Å; S277-R279 PolarHBondContact OG-N 2.85Å | ||
| 278 | P | 44.5 | Very low | 50.7 | Low | 106 Ų | 106 | 107.6 Ų | 107.6 | 69% | 0.688 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -26.7 | 173.9 | -26.7 | 36 | 0 | 0 | 0 | 113.7 | D280 C281 | P278-D280 PolarHBondContact O-N 3.38Å; P278-C281 WeakPolarHBondContact O-CB 3.14Å; P278-C281 PolarHBondContact O-N 3.47Å; P278-C281 VanDerWaalsContact O-N 3.1Å |
| 279 | R | 52.3 | Low | 52.7 | Low | 197 Ų | 197 | 102.5 Ų | 102.5 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.5 | -28 | -174.7 | -61.1 | -176.1 | 175 | -163 | -2.8 | 113.8 | S277 C281 D282 E283 | S277-R279 PolarHBondContact O-N 3.05Å; S277-R279 PolarHBondContact OG-N 2.85Å; R279-C281 PolarHBondContact O-N 2.9Å; R279-D282 PolarHBondContact O-N 2.73Å; R279-E283 PolarHBondContact O-N 3.23Å |
| 280 | D | 56.8 | Low | 54.8 | Low | 97 Ų | 97 | 106.1 Ų | 106.1 | 52% | 0.519 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.5 | -27.5 | -179 | -56.2 | -27.5 | 0 | 0 | 0 | 110.9 | P278 F284 | P278-D280 PolarHBondContact O-N 3.38Å; D280-F284 WeakPolarHBondContact O-CB 3.29Å; D280-F284 PolarHBondContact O-N 3.17Å |
| 281 | C | 57.9 | Low | 56.8 | Low | 61 Ų | 61 | 100.2 Ų | 100.2 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.8 | -42.6 | 174.3 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | P278 R279 F284 L285 | P278-C281 WeakPolarHBondContact O-CB 3.14Å; P278-C281 PolarHBondContact O-N 3.47Å; P278-C281 VanDerWaalsContact O-N 3.1Å; R279-C281 PolarHBondContact O-N 2.9Å; C281-F284 PolarHBondContact O-N 3.08Å; C281-L285 WeakPolarHBondContact O-CB 2.94Å; C281-L285 WeakPolarHBondContact O-CG 3.28Å; C281-L285 PolarHBondContact O-N 3.39Å |
| 282 | D | 69.7 | Low | 58.5 | Low | 101 Ų | 101 | 98 Ų | 98 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | -179.1 | -59 | -30.2 | 0 | 0 | 0 | 111.7 | R279 S286 | R279-D282 PolarHBondContact O-N 2.73Å; D282-S286 VanDerWaalsContact O-CB 3.28Å; D282-S286 WeakPolarHBondContact O-CB 3.41Å; D282-S286 PolarHBondContact O-N 2.98Å; D282-S286 PolarHBondContact O-OG 2.93Å |
| 283 | E | 74.7 | Confident | 60.5 | Low | 120 Ų | 120 | 98.2 Ų | 98.2 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 175 | -168.7 | -163.3 | 122.4 | 0 | 0 | 110.8 | K31 R279 L285 S286 E287 | K31-E283 IonicContact NZ-OE1 3.86Å; K31-E283 PolarHBondContact NZ-OE1 2.86Å; R279-E283 PolarHBondContact O-N 3.23Å; E283-L285 PolarHBondContact O-N 3.49Å; E283-S286 PolarHBondContact O-N 2.96Å; E283-E287 WeakPolarHBondContact O-CB 3.28Å; E283-E287 PolarHBondContact O-N 3.44Å |
| 284 | F | 67.5 | Low | 62 | Low | 57 Ų | 57 | 94.1 Ų | 94.1 | 25% | 0.25 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.2 | -43.5 | -178.9 | 173.9 | -87.1 | 0 | 0 | 0 | 112.6 | R26 I34 D280 C281 L288 | R26-F284 VanDerWaalsContact NH1-CD2 3.29Å; R26-F284 PolarHBondContact NH2-O 2.98Å; I34-F284 HydrophobicContact CB-CZ 4.35Å; I34-F284 HydrophobicContact CG1-CE1 3.73Å; I34-F284 HydrophobicContact CG1-CZ 3.51Å; D280-F284 WeakPolarHBondContact O-CB 3.29Å; D280-F284 PolarHBondContact O-N 3.17Å; C281-F284 PolarHBondContact O-N 3.08Å; F284-L288 HydrophobicContact CD1-CD1 3.61Å; F284-L288 HydrophobicContact CE1-CD1 3.43Å; F284-L288 VanDerWaalsContact CE1-CD1 3.43Å; F284-L288 HydrophobicContact CG-CD1 4.4Å; F284-L288 HydrophobicContact CZ-CD1 4.1Å; F284-L288 WeakPolarHBondContact O-CB 3.43Å; F284-L288 WeakPolarHBondContact O-CD1 3.47Å; F284-L288 WeakPolarHBondContact O-CG 3.4Å; F284-L288 PolarHBondContact O-N 2.96Å; F284-L288 VanDerWaalsContact O-N 3.08Å |
| 285 | L | 73.3 | Confident | 62.9 | Low | 83 Ų | 83 | 89.8 Ų | 89.8 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.2 | -36.8 | 175.4 | -69.4 | 175.7 | 0 | 0 | 0 | 111.9 | C281 E283 L288 S289 | C281-L285 WeakPolarHBondContact O-CB 2.94Å; C281-L285 WeakPolarHBondContact O-CG 3.28Å; C281-L285 PolarHBondContact O-N 3.39Å; E283-L285 PolarHBondContact O-N 3.49Å; L285-L288 HydrophobicContact CD2-CD1 4.26Å; L285-L288 WeakPolarHBondContact O-CB 3.45Å; L285-L288 PolarHBondContact O-N 3.44Å; L285-S289 WeakPolarHBondContact O-CB 3.29Å; L285-S289 PolarHBondContact O-N 3.11Å |
| 286 | S | 75.3 | Confident | 63.7 | Low | 78 Ų | 78 | 86 Ų | 86 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 173.5 | -61 | 0 | 0 | 0 | 0 | 112.4 | D282 E283 S289 R290 | D282-S286 VanDerWaalsContact O-CB 3.28Å; D282-S286 WeakPolarHBondContact O-CB 3.41Å; D282-S286 PolarHBondContact O-N 2.98Å; D282-S286 PolarHBondContact O-OG 2.93Å; E283-S286 PolarHBondContact O-N 2.96Å; S286-S289 PolarHBondContact O-N 3.33Å; S286-R290 PolarHBondContact O-N 2.98Å |
| 287 | E | 73.8 | Confident | 64.2 | Low | 42 Ų | 42 | 82.6 Ų | 82.6 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 175.8 | -174.1 | 178.8 | -122.4 | 0 | 0 | 111.7 | R26 K31 E283 F291 | R26-E287 IonicContact CZ-OE2 2.87Å; R26-E287 VanDerWaalsContact CZ-OE2 3.25Å; R26-E287 IonicContact NE-OE2 2.79Å; R26-E287 PolarHBondContact NE-OE2 3.13Å; R26-E287 IonicContact NH2-OE2 2.97Å; R26-E287 PolarHBondContact NH2-OE2 3.26Å; K31-E287 IonicContact NZ-OE1 2.9Å; K31-E287 PolarHBondContact NZ-OE1 2.7Å; K31-E287 IonicContact NZ-OE2 2.98Å; K31-E287 PolarHBondContact NZ-OE2 3.06Å; E283-E287 WeakPolarHBondContact O-CB 3.28Å; E283-E287 PolarHBondContact O-N 3.44Å; E287-F291 VanDerWaalsContact O-CB 3.3Å; E287-F291 WeakPolarHBondContact O-CB 3.31Å; E287-F291 PolarHBondContact O-N 3.48Å |
| 288 | L | 70.2 | Confident | 64.4 | Low | 24 Ų | 24 | 86.6 Ų | 86.6 | 13% | 0.126 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.6 | -49.9 | 172.8 | -84.1 | 161.3 | 0 | 0 | 0 | 112.4 | Y22 I34 F284 L285 R290 F291 M292 | Y22-L288 HydrophobicContact CD2-CD2 4.17Å; Y22-L288 HydrophobicContact CE2-CD2 3.4Å; Y22-L288 VanDerWaalsContact CE2-CD2 3.4Å; Y22-L288 HydrophobicContact CE2-CG 4.26Å; I34-L288 HydrophobicContact CD1-CD1 3.69Å; I34-L288 HydrophobicContact CD1-CD2 3.81Å; I34-L288 HydrophobicContact CD1-CG 4.43Å; I34-L288 HydrophobicContact CG1-CD1 3.94Å; F284-L288 HydrophobicContact CD1-CD1 3.61Å; F284-L288 HydrophobicContact CE1-CD1 3.43Å; F284-L288 VanDerWaalsContact CE1-CD1 3.43Å; F284-L288 HydrophobicContact CG-CD1 4.4Å; F284-L288 HydrophobicContact CZ-CD1 4.1Å; F284-L288 WeakPolarHBondContact O-CB 3.43Å; F284-L288 WeakPolarHBondContact O-CD1 3.47Å; F284-L288 WeakPolarHBondContact O-CG 3.4Å; F284-L288 PolarHBondContact O-N 2.96Å; F284-L288 VanDerWaalsContact O-N 3.08Å; L285-L288 HydrophobicContact CD2-CD1 4.26Å; L285-L288 WeakPolarHBondContact O-CB 3.45Å; L285-L288 PolarHBondContact O-N 3.44Å; L288-R290 PolarHBondContact O-N 3.2Å; L288-F291 PolarHBondContact O-N 3.15Å; L288-F291 VanDerWaalsContact O-N 3.15Å; L288-M292 VanDerWaalsContact O-CG 3.27Å; L288-M292 WeakPolarHBondContact O-CG 3.36Å; L288-M292 PolarHBondContact O-N 3.37Å |
| 289 | S | 73.3 | Confident | 64.3 | Low | 67 Ų | 67 | 88.7 Ų | 88.7 | 47% | 0.469 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.9 | -48 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L285 S286 F291 M292 N293 | L285-S289 WeakPolarHBondContact O-CB 3.29Å; L285-S289 PolarHBondContact O-N 3.11Å; S286-S289 PolarHBondContact O-N 3.33Å; S289-F291 PolarHBondContact O-N 2.75Å; S289-M292 PolarHBondContact O-N 3.45Å; S289-N293 WeakPolarHBondContact O-CB 3.44Å; S289-N293 PolarHBondContact O-N 3.31Å; S289-N293 PolarHBondContact O-ND2 2.76Å; S289-N293 PolarHBondContact OG-ND2 2.85Å |
| 290 | R | 77.4 | Confident | 63.6 | Low | 160 Ų | 160 | 84.5 Ų | 84.5 | 60% | 0.604 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.3 | -48.4 | 174.2 | -175 | 179.8 | 64.5 | -178.3 | -3.8 | 111.5 | S286 L288 M292 N293 D294 | S286-R290 PolarHBondContact O-N 2.98Å; L288-R290 PolarHBondContact O-N 3.2Å; R290-M292 VanDerWaalsContact C-N 3.33Å; R290-M292 PolarHBondContact O-N 3.24Å; R290-N293 PolarHBondContact O-N 3Å; R290-D294 WeakPolarHBondContact CG-OD2 3.47Å; R290-D294 WeakPolarHBondContact O-CB 3.42Å; R290-D294 PolarHBondContact O-N 3.06Å |
| 291 | F | 71.6 | Confident | 62.6 | Low | 33 Ų | 33 | 85.1 Ų | 85.1 | 15% | 0.145 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59 | -40.6 | -179.7 | 174.1 | -104.5 | 0 | 0 | 0 | 113.3 | E18 Y22 E287 L288 S289 D294 | E18-F291 HydrophobicContact CB-CZ 4.24Å; E18-F291 HydrophobicContact CG-CE1 3.78Å; E18-F291 HydrophobicContact CG-CZ 3.66Å; Y22-F291 HydrophobicContact CD2-CD1 4.42Å; Y22-F291 HydrophobicContact CG-CE1 4.47Å; E287-F291 VanDerWaalsContact O-CB 3.3Å; E287-F291 WeakPolarHBondContact O-CB 3.31Å; E287-F291 PolarHBondContact O-N 3.48Å; L288-F291 PolarHBondContact O-N 3.15Å; L288-F291 VanDerWaalsContact O-N 3.15Å; S289-F291 PolarHBondContact O-N 2.75Å; F291-D294 PolarHBondContact O-N 3.17Å |
| 292 | M | 70.9 | Confident | 61.7 | Low | 93 Ų | 93 | 91.4 Ų | 91.4 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.1 | -39.8 | 177.1 | -61.8 | -120.3 | -65.1 | 0 | 0 | 112 | L288 S289 R290 D294 S295 Y327 | L288-M292 VanDerWaalsContact O-CG 3.27Å; L288-M292 WeakPolarHBondContact O-CG 3.36Å; L288-M292 PolarHBondContact O-N 3.37Å; S289-M292 PolarHBondContact O-N 3.45Å; R290-M292 VanDerWaalsContact C-N 3.33Å; R290-M292 PolarHBondContact O-N 3.24Å; M292-D294 VanDerWaalsContact C-N 3.32Å; M292-D294 PolarHBondContact O-N 2.84Å; M292-S295 WeakPolarHBondContact O-CB 3.47Å; M292-S295 PolarHBondContact O-N 2.88Å; M292-Y327 HydrophobicContact CE-CD1 3.67Å; M292-Y327 HydrophobicContact CE-CE1 3.6Å; M292-Y327 HydrophobicContact SD-CE1 4.09Å |
| 293 | N | 72.4 | Confident | 60 | Low | 85 Ų | 85 | 89.3 Ų | 89.3 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.1 | -29.8 | 176 | -76.1 | -69.9 | 0 | 0 | 0 | 112.8 | S289 R290 S295 R298 | S289-N293 WeakPolarHBondContact O-CB 3.44Å; S289-N293 PolarHBondContact O-N 3.31Å; S289-N293 PolarHBondContact O-ND2 2.76Å; S289-N293 PolarHBondContact OG-ND2 2.85Å; R290-N293 PolarHBondContact O-N 3Å; N293-S295 VanDerWaalsContact C-N 3.25Å; N293-S295 PolarHBondContact O-N 2.86Å; N293-R298 PolarHBondContact OD1-NH1 2.85Å |
| 294 | D | 66 | Low | 58 | Low | 57 Ų | 57 | 93.2 Ų | 93.2 | 31% | 0.305 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -1.5 | 174.8 | -82.1 | -35.5 | 0 | 0 | 0 | 114 | L100 N101 R290 F291 M292 | L100-D294 HydrophobicContact CD1-CB 4.3Å; L100-D294 VanDerWaalsContact CD1-O 3.24Å; L100-D294 WeakPolarHBondContact CD1-O 3.48Å; N101-D294 PolarHBondContact ND2-OD1 2.86Å; N101-D294 PolarHBondContact OD1-O 3.09Å; R290-D294 WeakPolarHBondContact CG-OD2 3.47Å; R290-D294 WeakPolarHBondContact O-CB 3.42Å; R290-D294 PolarHBondContact O-N 3.06Å; F291-D294 PolarHBondContact O-N 3.17Å; M292-D294 VanDerWaalsContact C-N 3.32Å; M292-D294 PolarHBondContact O-N 2.84Å |
| 295 | S | 56.7 | Low | 56.3 | Low | 28 Ų | 28 | 96.5 Ų | 96.5 | 20% | 0.196 | 53% | 0.529 | C | S | . | . | trans | -69.3 | 127.2 | -174.7 | -171.4 | 0 | 0 | 0 | 0 | 112.8 | M292 N293 L297 R298 | M292-S295 WeakPolarHBondContact O-CB 3.47Å; M292-S295 PolarHBondContact O-N 2.88Å; N293-S295 VanDerWaalsContact C-N 3.25Å; N293-S295 PolarHBondContact O-N 2.86Å; S295-L297 PolarHBondContact O-N 2.81Å; S295-R298 PolarHBondContact O-N 2.57Å | ||
| 296 | P | 49.4 | Very low | 54.7 | Low | 60 Ų | 60 | 96.9 Ų | 96.9 | 39% | 0.39 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -59 | -18.5 | -174.5 | -27.9 | 35.6 | 0 | 0 | 0 | 116.3 | L100 R298 T300 | L100-P296 HydrophobicContact CD1-CG 4.43Å; P296-R298 PolarHBondContact O-N 3.13Å; P296-T300 PolarHBondContact O-OG1 2.66Å |
| 297 | L | 51.3 | Low | 53 | Low | 140 Ų | 140 | 97.6 Ų | 97.6 | 73% | 0.733 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -67.7 | -17.6 | -177.3 | -62.8 | 178.7 | 0 | 0 | 0 | 113.5 | S295 N299 | S295-L297 PolarHBondContact O-N 2.81Å; L297-N299 PolarHBondContact O-N 2.73Å |
| 298 | R | 47.3 | Very low | 51.5 | Low | 130 Ų | 130 | 101.9 Ų | 101.9 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -81.1 | -10.2 | -169.5 | -142.1 | 179.2 | -171 | -176.5 | 6.4 | 116 | N293 S295 P296 | N293-R298 PolarHBondContact OD1-NH1 2.85Å; S295-R298 PolarHBondContact O-N 2.57Å; P296-R298 PolarHBondContact O-N 3.13Å |
| 299 | N | 42.6 | Very low | 50.1 | Low | 149 Ų | 149 | 105 Ų | 105 | 80% | 0.797 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -140.8 | 24.7 | -169.9 | -76.2 | -58.8 | 0 | 0 | 0 | 114.8 | L297 P301 | L297-N299 PolarHBondContact O-N 2.73Å; N299-P301 WeakPolarHBondContact O-CD 3.28Å |
| 300 | T | 37.4 | Very low | 48.7 | Very low | 109 Ų | 109 | 107.9 Ų | 107.9 | 67% | 0.669 | 62% | 0.621 | S | S | * | * | trans | -94.4 | 115.7 | 178 | -53 | 0 | 0 | 0 | 0 | 110.8 | P296 | P296-T300 PolarHBondContact O-OG1 2.66Š| ||
| 301 | P | 36.5 | Very low | 47.8 | Very low | 110 Ų | 110 | 105.8 Ų | 105.8 | 71% | 0.714 | 62% | 0.619 | S | S | * | * | trans | -65.4 | 148.2 | 171 | -18 | 32.1 | 0 | 0 | 0 | 111.2 | N299 G303 | N299-P301 WeakPolarHBondContact O-CD 3.28Å; P301-G303 VanDerWaalsContact C-N 3.31Å; P301-G303 PolarHBondContact O-N 3.37Å | ||
| 302 | L | 38.3 | Very low | 47.6 | Very low | 193 Ų | 193 | 106.8 Ų | 106.8 | 100% | 1.01 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -68.8 | 85.7 | 172.6 | -82.6 | 161.5 | 0 | 0 | 0 | 110.7 | ||
| 303 | G | 34.3 | Very low | 46.7 | Very low | 57 Ų | 57 | 109.8 Ų | 109.8 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | trans | -168.1 | 136.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | P301 C305 | P301-G303 VanDerWaalsContact C-N 3.31Å; P301-G303 PolarHBondContact O-N 3.37Å; G303-C305 PolarHBondContact O-N 2.63Å | ||
| 304 | E | 32.8 | Very low | 45.7 | Very low | 203 Ų | 203 | 109.3 Ų | 109.3 | 95% | 0.949 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 58 | 43.3 | 156.7 | -53.3 | -163.4 | 144.5 | 0 | 0 | 119.2 | ||
| 305 | C | 32.5 | Very low | 45.3 | Very low | 125 Ų | 125 | 111.1 Ų | 111.1 | 85% | 0.845 | 66% | 0.658 | S | S | * | * | trans | -151.1 | 83.4 | 159.8 | -108.9 | 0 | 0 | 0 | 0 | 115.6 | G303 | G303-C305 PolarHBondContact O-N 2.63Š| ||
| 306 | S | 39.1 | Very low | 45.2 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | trans | 172.5 | 150.9 | 131.2 | 53 | 0 | 0 | 0 | 0 | 113.3 | L308 | S306-L308 PolarHBondContact O-N 2.71Š| ||
| 307 | G | 38.9 | Very low | 45.3 | Very low | 92 Ų | 92 | 114.5 Ų | 114.5 | 95% | 0.948 | 67% | 0.671 | S | S | * | * | trans | -89.8 | 50.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 308 | L | 41.9 | Very low | 45.2 | Very low | 132 Ų | 132 | 111.6 Ų | 111.6 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -98 | 150.6 | 174 | -72 | 170.7 | 0 | 0 | 0 | 109.7 | S306 | S306-L308 PolarHBondContact O-N 2.71Š|
| 309 | P | 41.1 | Very low | 45.2 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 59% | 0.591 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 151.2 | 169.9 | 29.5 | -34.9 | 0 | 0 | 0 | 109.9 | M311 | P309-M311 PolarHBondContact O-N 2.84Š|
| 310 | P | 43.6 | Very low | 45.1 | Very low | 126 Ų | 126 | 112.7 Ų | 112.7 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128.4 | 175.5 | 26.1 | -33.7 | 0 | 0 | 0 | 110.1 | ||
| 311 | M | 59.1 | Low | 45.6 | Very low | 116 Ų | 116 | 112.4 Ų | 112.4 | 57% | 0.571 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 140.5 | 165.6 | 176.9 | 177.7 | -87.3 | 0 | 0 | 109.1 | P309 E315 A316 | P309-M311 PolarHBondContact O-N 2.84Å; M311-E315 HydrophobicContact CE-CB 4.49Å; M311-E315 HydrophobicContact CG-CB 3.48Å; M311-E315 VanDerWaalsContact CG-CB 3.48Å; M311-E315 HydrophobicContact SD-CB 4.16Å; M311-A316 HydrophobicContact SD-CB 4.11Å |
| 312 | S | 68.6 | Low | 45.7 | Very low | 55 Ų | 55 | 112.6 Ų | 112.6 | 39% | 0.385 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -72.8 | 151.3 | 174.6 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | A314 E315 A316 | S312-A314 PolarHBondContact O-N 2.8Å; S312-E315 WeakPolarHBondContact CB-OE2 3.44Å; S312-E315 PolarHBondContact N-OE2 2.96Å; S312-E315 WeakPolarHBondContact O-CA 3.48Å; S312-E315 WeakPolarHBondContact O-CB 3.48Å; S312-E315 PolarHBondContact O-N 2.7Å; S312-E315 VanDerWaalsContact OG-CG 3.29Å; S312-E315 WeakPolarHBondContact OG-CG 3.3Å; S312-E315 PolarHBondContact OG-N 2.86Å; S312-E315 PolarHBondContact OG-OE2 2.92Å; S312-A316 PolarHBondContact O-N 2.89Å |
| 313 | E | 50.3 | Low | 46.1 | Very low | 155 Ų | 155 | 106.3 Ų | 106.3 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -56.1 | -33.9 | 179.4 | -165.3 | 166.5 | -160 | 0 | 0 | 112.1 | A316 H317 | E313-A316 PolarHBondContact O-N 3.09Å; E313-H317 PolarHBondContact O-CD2 3.34Å; E313-H317 PolarHBondContact O-N 2.79Å; E313-H317 VanDerWaalsContact O-N 3.07Å |
| 314 | A | 52.9 | Low | 46.3 | Very low | 75 Ų | 75 | 109.5 Ų | 109.5 | 62% | 0.62 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.1 | -34.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S312 A318 | S312-A314 PolarHBondContact O-N 2.8Å; A314-A318 WeakPolarHBondContact O-CB 3.26Å; A314-A318 PolarHBondContact O-N 3.3Å; A314-A318 VanDerWaalsContact O-N 3.17Å |
| 315 | E | 56 | Low | 46.9 | Very low | 95 Ų | 95 | 101.3 Ų | 101.3 | 44% | 0.444 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.9 | -32.4 | 172.7 | -74.6 | 165.5 | 120.2 | 0 | 0 | 111.8 | M311 S312 A318 F319 | M311-E315 HydrophobicContact CE-CB 4.49Å; M311-E315 HydrophobicContact CG-CB 3.48Å; M311-E315 VanDerWaalsContact CG-CB 3.48Å; M311-E315 HydrophobicContact SD-CB 4.16Å; S312-E315 WeakPolarHBondContact CB-OE2 3.44Å; S312-E315 PolarHBondContact N-OE2 2.96Å; S312-E315 WeakPolarHBondContact O-CA 3.48Å; S312-E315 WeakPolarHBondContact O-CB 3.48Å; S312-E315 PolarHBondContact O-N 2.7Å; S312-E315 VanDerWaalsContact OG-CG 3.29Å; S312-E315 WeakPolarHBondContact OG-CG 3.3Å; S312-E315 PolarHBondContact OG-N 2.86Å; S312-E315 PolarHBondContact OG-OE2 2.92Å; E315-A318 PolarHBondContact O-N 3.35Å; E315-F319 PolarHBondContact O-N 3.18Å |
| 316 | A | 56.3 | Low | 47.5 | Very low | 34 Ų | 34 | 98 Ų | 98 | 28% | 0.281 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.9 | -52.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M311 S312 E313 A318 F319 E320 | M311-A316 HydrophobicContact SD-CB 4.11Å; S312-A316 PolarHBondContact O-N 2.89Å; E313-A316 PolarHBondContact O-N 3.09Å; A316-A318 PolarHBondContact O-N 3.29Å; A316-F319 CarbonylContact O-C 3.53Å; A316-F319 WeakPolarHBondContact O-CA 3.35Å; A316-F319 PolarHBondContact O-N 2.85Å; A316-E320 PolarHBondContact O-N 2.7Å; A316-E320 VanDerWaalsContact O-N 3.09Å |
| 317 | H | 50.3 | Low | 47.8 | Very low | 125 Ų | 125 | 99.3 Ų | 99.3 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.1 | -26.3 | 176.5 | -69.5 | -42.5 | 0 | 0 | 0 | 113.5 | E313 F319 E320 | E313-H317 PolarHBondContact O-CD2 3.34Å; E313-H317 PolarHBondContact O-N 2.79Å; E313-H317 VanDerWaalsContact O-N 3.07Å; H317-F319 PolarHBondContact O-N 2.92Å; H317-E320 IonicContact CE1-OE2 2.84Å; H317-E320 IonicContact CG-OE2 2.8Å; H317-E320 IonicContact ND1-OE2 2.7Å; H317-E320 PolarHBondContact ND1-OE2 3.3Å |
| 318 | A | 49.8 | Very low | 48.4 | Very low | 79 Ų | 79 | 98.7 Ų | 98.7 | 65% | 0.653 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.2 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | A314 E315 A316 | A314-A318 WeakPolarHBondContact O-CB 3.26Å; A314-A318 PolarHBondContact O-N 3.3Å; A314-A318 VanDerWaalsContact O-N 3.17Å; E315-A318 PolarHBondContact O-N 3.35Å; A316-A318 PolarHBondContact O-N 3.29Å |
| 319 | F | 46.6 | Very low | 48.8 | Very low | 166 Ų | 166 | 98 Ų | 98 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | -11.4 | 178.5 | -114.8 | -89.8 | 0 | 0 | 0 | 114.2 | E315 A316 H317 V321 | E315-F319 PolarHBondContact O-N 3.18Å; A316-F319 CarbonylContact O-C 3.53Å; A316-F319 WeakPolarHBondContact O-CA 3.35Å; A316-F319 PolarHBondContact O-N 2.85Å; H317-F319 PolarHBondContact O-N 2.92Å; F319-V321 PolarHBondContact O-N 2.8Å |
| 320 | E | 40.6 | Very low | 49 | Very low | 136 Ų | 136 | 98.4 Ų | 98.4 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | trans | -76.4 | 50.3 | 177.8 | -74.3 | -177.4 | 141.1 | 0 | 0 | 113.5 | A316 H317 N322 | A316-E320 PolarHBondContact O-N 2.7Å; A316-E320 VanDerWaalsContact O-N 3.09Å; H317-E320 IonicContact CE1-OE2 2.84Å; H317-E320 IonicContact CG-OE2 2.8Å; H317-E320 IonicContact ND1-OE2 2.7Å; H317-E320 PolarHBondContact ND1-OE2 3.3Å; E320-N322 PolarHBondContact O-N 3.12Å | ||
| 321 | V | 48.4 | Very low | 49.3 | Very low | 104 Ų | 104 | 95.9 Ų | 95.9 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | trans | -67.8 | 115.9 | 158.2 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | F319 S323 L326 | F319-V321 PolarHBondContact O-N 2.8Å; V321-S323 PolarHBondContact O-N 2.71Å; V321-L326 HydrophobicContact CG1-CD1 3.8Å | ||
| 322 | N | 39.3 | Very low | 48.9 | Very low | 113 Ų | 113 | 96.6 Ų | 96.6 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | trans | -67.5 | 80 | 178.8 | -178.8 | 8.5 | 0 | 0 | 0 | 111.3 | E320 F324 G325 L326 | E320-N322 PolarHBondContact O-N 3.12Å; N322-F324 PolarHBondContact O-N 3.37Å; N322-F324 VanDerWaalsContact O-N 3.15Å; N322-F324 WeakPolarHBondContact OD1-CB 3.48Å; N322-F324 PolarHBondContact OD1-N 2.82Å; N322-G325 PolarHBondContact O-N 2.68Å; N322-G325 PolarHBondContact OD1-N 2.88Å; N322-L326 PolarHBondContact O-N 2.88Å | ||
| 323 | S | 45.8 | Very low | 47.8 | Very low | 61 Ų | 61 | 99.9 Ų | 99.9 | 43% | 0.427 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.7 | -25.7 | 178.6 | 61 | 0 | 0 | 0 | 0 | 112.8 | V321 G325 Y327 | V321-S323 PolarHBondContact O-N 2.71Å; S323-G325 VanDerWaalsContact C-N 3.31Å; S323-G325 PolarHBondContact O-N 2.83Å; S323-Y327 WeakPolarHBondContact O-CB 3.43Å; S323-Y327 WeakPolarHBondContact O-CD2 3.16Å; S323-Y327 PolarHBondContact O-N 3.05Å |
| 324 | F | 38.9 | Very low | 47.7 | Very low | 125 Ų | 125 | 97.1 Ų | 97.1 | 55% | 0.548 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -31.5 | 175.8 | -117.9 | -86.3 | 0 | 0 | 0 | 112.9 | N322 N328 | N322-F324 PolarHBondContact O-N 3.37Å; N322-F324 VanDerWaalsContact O-N 3.15Å; N322-F324 WeakPolarHBondContact OD1-CB 3.48Å; N322-F324 PolarHBondContact OD1-N 2.82Å; F324-N328 PolarHBondContact O-ND2 3.17Å |
| 325 | G | 44.5 | Very low | 47.2 | Very low | 30 Ų | 30 | 96.1 Ų | 96.1 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.6 | -57.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | N322 S323 Y327 N328 E329 | N322-G325 PolarHBondContact O-N 2.68Å; N322-G325 PolarHBondContact OD1-N 2.88Å; S323-G325 VanDerWaalsContact C-N 3.31Å; S323-G325 PolarHBondContact O-N 2.83Å; G325-Y327 VanDerWaalsContact C-N 3.32Å; G325-Y327 PolarHBondContact O-N 3Å; G325-N328 WeakPolarHBondContact O-CA 3.18Å; G325-N328 WeakPolarHBondContact O-CB 3.45Å; G325-N328 PolarHBondContact O-N 2.85Å; G325-E329 PolarHBondContact O-N 3.24Å; G325-E329 VanDerWaalsContact O-N 3.09Å |
| 326 | L | 46.6 | Very low | 46.6 | Very low | 56 Ų | 56 | 98 Ų | 98 | 29% | 0.293 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.5 | -36.5 | -177 | -67.4 | 169.2 | 0 | 0 | 0 | 113.3 | F10 V321 N322 N328 L330 | F10-L326 HydrophobicContact CE1-CD1 4.45Å; F10-L326 HydrophobicContact CZ-CD1 3.84Å; F10-L326 HydrophobicContact CZ-CD2 4.16Å; V321-L326 HydrophobicContact CG1-CD1 3.8Å; N322-L326 PolarHBondContact O-N 2.88Å; L326-N328 VanDerWaalsContact C-N 3.3Å; L326-N328 PolarHBondContact O-N 2.92Å; L326-L330 WeakPolarHBondContact O-CB 3.42Å; L326-L330 VanDerWaalsContact O-CG 3.27Å; L326-L330 WeakPolarHBondContact O-CG 3.5Å; L326-L330 PolarHBondContact O-N 2.87Å |
| 327 | Y | 44.8 | Very low | 45.7 | Very low | 120 Ų | 120 | 99.7 Ų | 99.7 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.5 | -23.1 | 175 | -77.5 | -54.9 | 0 | 0 | 0 | 113.4 | M292 S323 G325 L330 S331 | M292-Y327 HydrophobicContact CE-CD1 3.67Å; M292-Y327 HydrophobicContact CE-CE1 3.6Å; M292-Y327 HydrophobicContact SD-CE1 4.09Å; S323-Y327 WeakPolarHBondContact O-CB 3.43Å; S323-Y327 WeakPolarHBondContact O-CD2 3.16Å; S323-Y327 PolarHBondContact O-N 3.05Å; G325-Y327 VanDerWaalsContact C-N 3.32Å; G325-Y327 PolarHBondContact O-N 3Å; Y327-L330 HydrophobicContact CD1-CD1 4.44Å; Y327-S331 WeakPolarHBondContact O-CB 3.28Å; Y327-S331 PolarHBondContact O-N 3.39Å; Y327-S331 PolarHBondContact O-OG 3.36Å |
| 328 | N | 50.4 | Low | 45.1 | Very low | 79 Ų | 79 | 99.8 Ų | 99.8 | 42% | 0.422 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -76.9 | -45.4 | 172.6 | -72.3 | -10.5 | 0 | 0 | 0 | 110.7 | F324 G325 L326 L330 S331 E332 | F324-N328 PolarHBondContact O-ND2 3.17Å; G325-N328 WeakPolarHBondContact O-CA 3.18Å; G325-N328 WeakPolarHBondContact O-CB 3.45Å; G325-N328 PolarHBondContact O-N 2.85Å; L326-N328 VanDerWaalsContact C-N 3.3Å; L326-N328 PolarHBondContact O-N 2.92Å; N328-L330 VanDerWaalsContact C-N 3.32Å; N328-L330 PolarHBondContact O-N 3.38Å; N328-S331 CarbonylContact O-C 3.56Å; N328-S331 WeakPolarHBondContact O-CA 3.37Å; N328-S331 WeakPolarHBondContact O-CB 3.46Å; N328-S331 PolarHBondContact O-N 3.07Å; N328-E332 PolarHBondContact O-N 2.83Å |
| 329 | E | 50.6 | Low | 44.4 | Very low | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -56.9 | -44.4 | 173.4 | -69.7 | -178.9 | 117 | 0 | 0 | 111.9 | G325 S331 E332 L333 | G325-E329 PolarHBondContact O-N 3.24Å; G325-E329 VanDerWaalsContact O-N 3.09Å; E329-S331 PolarHBondContact O-N 2.85Å; E329-E332 PolarHBondContact O-N 3.49Å; E329-L333 PolarHBondContact O-N 3.49Å |
| 330 | L | 46.6 | Very low | 43.8 | Very low | 98 Ų | 98 | 99.8 Ų | 99.8 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.6 | -21.1 | 174.3 | -70.5 | 172.7 | 0 | 0 | 0 | 113.6 | L326 Y327 N328 L333 V334 | L326-L330 WeakPolarHBondContact O-CB 3.42Å; L326-L330 VanDerWaalsContact O-CG 3.27Å; L326-L330 WeakPolarHBondContact O-CG 3.5Å; L326-L330 PolarHBondContact O-N 2.87Å; Y327-L330 HydrophobicContact CD1-CD1 4.44Å; N328-L330 VanDerWaalsContact C-N 3.32Å; N328-L330 PolarHBondContact O-N 3.38Å; L330-L333 HydrophobicContact CD2-CD1 4.38Å; L330-V334 WeakPolarHBondContact O-CG2 3.01Å |
| 331 | S | 48.1 | Very low | 43.3 | Very low | 73 Ų | 73 | 100.2 Ų | 100.2 | 51% | 0.51 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -86.1 | -33.8 | 173.6 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | Y327 N328 E329 V334 G335 | Y327-S331 WeakPolarHBondContact O-CB 3.28Å; Y327-S331 PolarHBondContact O-N 3.39Å; Y327-S331 PolarHBondContact O-OG 3.36Å; N328-S331 CarbonylContact O-C 3.56Å; N328-S331 WeakPolarHBondContact O-CA 3.37Å; N328-S331 WeakPolarHBondContact O-CB 3.46Å; N328-S331 PolarHBondContact O-N 3.07Å; E329-S331 PolarHBondContact O-N 2.85Å; S331-V334 WeakPolarHBondContact O-CB 3.3Å; S331-V334 PolarHBondContact O-N 2.86Å; S331-V334 VanDerWaalsContact O-N 3.1Å; S331-G335 PolarHBondContact O-N 2.87Å |
| 332 | E | 52.2 | Low | 42.5 | Very low | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69 | -36.7 | 174.3 | -71.7 | 176.3 | -162.5 | 0 | 0 | 111.3 | N328 E329 V334 G335 L336 | N328-E332 PolarHBondContact O-N 2.83Å; E329-E332 PolarHBondContact O-N 3.49Å; E332-V334 PolarHBondContact O-N 2.8Å; E332-G335 WeakPolarHBondContact O-CA 3.49Å; E332-G335 PolarHBondContact O-N 2.87Å; E332-L336 WeakPolarHBondContact O-CG 3.34Å; E332-L336 PolarHBondContact O-N 3.33Å |
| 333 | L | 44.6 | Very low | 42.2 | Very low | 124 Ų | 124 | 105.4 Ų | 105.4 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -58.2 | -25 | 167 | -85.5 | 160.6 | 0 | 0 | 0 | 113.8 | E329 L330 | E329-L333 PolarHBondContact O-N 3.49Å; L330-L333 HydrophobicContact CD2-CD1 4.38Å |
| 334 | V | 49.3 | Very low | 41.4 | Very low | 98 Ų | 98 | 109.3 Ų | 109.3 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -85.7 | -28.3 | 172.1 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | L330 S331 E332 | L330-V334 WeakPolarHBondContact O-CG2 3.01Å; S331-V334 WeakPolarHBondContact O-CB 3.3Å; S331-V334 PolarHBondContact O-N 2.86Å; S331-V334 VanDerWaalsContact O-N 3.1Å; E332-V334 PolarHBondContact O-N 2.8Å |
| 335 | G | 42.2 | Very low | 40.9 | Very low | 54 Ų | 54 | 110.4 Ų | 110.4 | 56% | 0.557 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.1 | -34 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S331 E332 G337 | S331-G335 PolarHBondContact O-N 2.87Å; E332-G335 WeakPolarHBondContact O-CA 3.49Å; E332-G335 PolarHBondContact O-N 2.87Å; G335-G337 PolarHBondContact O-N 2.91Å; G335-G337 VanDerWaalsContact O-N 3.15Å |
| 336 | L | 42.6 | Very low | 40.2 | Very low | 135 Ų | 135 | 113.1 Ų | 113.1 | 71% | 0.707 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -3.8 | -175.8 | -72.6 | 167.6 | 0 | 0 | 0 | 114.9 | E332 C338 | E332-L336 WeakPolarHBondContact O-CG 3.34Å; E332-L336 PolarHBondContact O-N 3.33Å; L336-C338 PolarHBondContact O-N 2.86Å |
| 337 | G | 37.5 | Very low | 39.4 | Very low | 68 Ų | 68 | 117.7 Ų | 117.7 | 70% | 0.701 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -8.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G335 | G335-G337 PolarHBondContact O-N 2.91Å; G335-G337 VanDerWaalsContact O-N 3.15Å |
| 338 | C | 37.7 | Very low | 39 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 87% | 0.865 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -137 | 58 | -172.5 | -76.7 | 0 | 0 | 0 | 0 | 113.3 | L336 | L336-C338 PolarHBondContact O-N 2.86Š|
| 339 | A | 35.1 | Very low | 38.2 | Very low | 83 Ų | 83 | 124 Ų | 124 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | trans | -136.7 | 131.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 340 | D | 34.5 | Very low | 37.1 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | trans | -68.9 | 150.3 | -177.9 | -83.3 | -64 | 0 | 0 | 0 | 113.4 | N342 | D340-N342 PolarHBondContact O-N 2.87Š| ||
| 341 | N | 30.6 | Very low | 36.6 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -48.7 | 121.5 | 178.6 | -58.2 | -87.5 | 0 | 0 | 0 | 113.3 | ||
| 342 | N | 30.2 | Very low | 35.9 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | trans | 161.3 | 112.1 | 130.9 | -91.4 | -69.2 | 0 | 0 | 0 | 111.1 | D340 | D340-N342 PolarHBondContact O-N 2.87Š| ||
| 343 | L | 33.3 | Very low | 35.4 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -158 | 122.4 | 151.4 | -112 | 164.7 | 0 | 0 | 0 | 109.4 | ||||
| 344 | N | 28.6 | Very low | 35.4 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | -75.4 | 127.2 | -177.1 | -70.3 | -41 | 0 | 0 | 0 | 111 | S346 | N344-S346 PolarHBondContact O-N 2.77Š| ||
| 345 | T | 28.1 | Very low | 34.7 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | -81.3 | 106.7 | 163.8 | 39.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 346 | S | 31 | Very low | 34.8 | Very low | 87 Ų | 87 | 143.4 Ų | 143.4 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | -143.4 | 126.5 | 169.2 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | N344 | N344-S346 PolarHBondContact O-N 2.77Š| ||
| 347 | N | 30.1 | Very low | 34.5 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 74.1 | 90.8 | 166.4 | -40.7 | -27.3 | 0 | 0 | 0 | 117 | ||||
| 348 | V | 35.5 | Very low | 34.4 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -134.9 | 148.4 | 131.7 | -176.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 349 | E | 33.6 | Very low | 34.4 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -91.4 | 141.7 | -161 | -66.5 | 164 | 115.2 | 0 | 0 | 114.4 | T351 | E349-T351 PolarHBondContact O-N 3.41Š| ||
| 350 | T | 28.5 | Very low | 34.9 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 81% | 0.81 | 82% | 0.818 | S | S | * | * | trans | -64.8 | 125.9 | 167.1 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 351 | T | 35.1 | Very low | 35.2 | Very low | 118 Ų | 118 | 155.3 Ų | 155.3 | 72% | 0.724 | 82% | 0.82 | S | S | * | * | trans | -113.7 | 111.9 | 171.3 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | E349 Y353 | E349-T351 PolarHBondContact O-N 3.41Å; T351-Y353 PolarHBondContact O-N 3.01Å | ||
| 352 | D | 34.3 | Very low | 35.9 | Very low | 139 Ų | 139 | 155.5 Ų | 155.5 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -69.5 | 120.7 | 176.6 | -74.9 | -49 | 0 | 0 | 0 | 111.2 | L354 | D352-L354 PolarHBondContact O-N 3.04Å; D352-L354 VanDerWaalsContact O-N 3.09Å | ||
| 353 | Y | 40.4 | Very low | 36.7 | Very low | 224 Ų | 224 | 151.2 Ų | 151.2 | 88% | 0.878 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 92 | 171.5 | -100.6 | -91.2 | 0 | 0 | 0 | 110.9 | T351 M355 | T351-Y353 PolarHBondContact O-N 3.01Å; Y353-M355 PolarHBondContact O-N 3.06Å | ||
| 354 | L | 44.5 | Very low | 37.6 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 115.3 | 168.8 | -72.6 | 173.5 | 0 | 0 | 0 | 110.6 | D352 L356 | D352-L354 PolarHBondContact O-N 3.04Å; D352-L354 VanDerWaalsContact O-N 3.09Å; L354-L356 PolarHBondContact O-N 3.15Å | ||
| 355 | M | 36 | Very low | 38.8 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 126.8 | 170.4 | -81.9 | -77.2 | -176.4 | 0 | 0 | 111.5 | Y353 | Y353-M355 PolarHBondContact O-N 3.06Š|
| 356 | L | 42.7 | Very low | 39.9 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 151.8 | 171.2 | -72.9 | 173.9 | 0 | 0 | 0 | 111.1 | L354 | L354-L356 PolarHBondContact O-N 3.15Š|
| 357 | P | 36.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 152.8 | -170.1 | -13.6 | 30.3 | 0 | 0 | 0 | 113.4 | D359 | P357-D359 PolarHBondContact O-N 3.28Š|
| 358 | P | 37 | Very low | 41.8 | Very low | 122 Ų | 122 | 152 Ų | 152 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -74.9 | 110.6 | 169.4 | 31.1 | -32 | 0 | 0 | 0 | 110.3 | ||
| 359 | D | 36.3 | Very low | 42.4 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -178.4 | 53.3 | 157.6 | -98 | -20.1 | 0 | 0 | 0 | 110.7 | P357 | P357-D359 PolarHBondContact O-N 3.28Š| ||
| 360 | R | 46.7 | Very low | 43 | Very low | 230 Ų | 230 | 149.1 Ų | 149.1 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | trans | -147.3 | 120.6 | 174.6 | -164.3 | 170.3 | -175.6 | 170.3 | -1.2 | 112.3 | L362 | R360-L362 PolarHBondContact O-N 2.84Š| ||
| 361 | E | 40.3 | Very low | 44.2 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 119.8 | 170.3 | -62.2 | -179.1 | 141.7 | 0 | 0 | 109.4 | ||
| 362 | L | 45.2 | Very low | 45.3 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 135.1 | 171.5 | -72 | 171.8 | 0 | 0 | 0 | 109.5 | R360 | R360-L362 PolarHBondContact O-N 2.84Š|
| 363 | S | 46.1 | Very low | 46.2 | Very low | 62 Ų | 62 | 147.9 Ų | 147.9 | 43% | 0.434 | 75% | 0.754 | S | S | . | * | P | Polyproline II helix | trans | -85.1 | 157.9 | 178.7 | 79.2 | 0 | 0 | 0 | 0 | 110.6 | N365 D366 | S363-N365 PolarHBondContact O-N 2.97Å; S363-D366 PolarHBondContact O-N 3.41Å; S363-D366 PolarHBondContact OG-OD2 2.64Å |
| 364 | A | 52.8 | Low | 46.3 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 13.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 365 | N | 53.7 | Low | 46.5 | Very low | 143 Ų | 143 | 140.8 Ų | 140.8 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -2.8 | -178.4 | -58.2 | -24.1 | 0 | 0 | 0 | 113.2 | S363 | S363-N365 PolarHBondContact O-N 2.97Š|
| 366 | D | 52.6 | Low | 46.8 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 59% | 0.588 | 73% | 0.734 | S | S | * | * | trans | -96.5 | 13.9 | -176 | -63.5 | -59.2 | 0 | 0 | 0 | 113.5 | S363 | S363-D366 PolarHBondContact O-N 3.41Å; S363-D366 PolarHBondContact OG-OD2 2.64Å | ||
| 367 | Y | 47.9 | Very low | 46.9 | Very low | 206 Ų | 206 | 135.8 Ų | 135.8 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 118.2 | 171.8 | -82.5 | -94.5 | 0 | 0 | 0 | 110.3 | ||
| 368 | M | 52.9 | Low | 47.4 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 83% | 0.833 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 134 | 162.4 | -64.7 | -173 | -63.6 | 0 | 0 | 108.9 | ||
| 369 | E | 46.6 | Very low | 47.8 | Very low | 126 Ų | 126 | 134 Ų | 134 | 59% | 0.589 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 153 | 174.9 | -70.1 | -169.4 | 172.9 | 0 | 0 | 110.3 | N371 D372 | E369-N371 HydrophobicContact CB-CB 4.25Å; E369-N371 PolarHBondContact O-N 2.93Å; E369-N371 PolarHBondContact OE2-ND2 2.98Å; E369-D372 PolarHBondContact N-OD2 3.4Å; E369-D372 WeakPolarHBondContact O-CB 3.29Å; E369-D372 PolarHBondContact O-N 2.86Å |
| 370 | L | 47.5 | Very low | 47.9 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -58.1 | -17.1 | 173 | -77.2 | 167.2 | 0 | 0 | 0 | 113.2 | D372 L373 | L370-D372 VanDerWaalsContact C-N 3.3Å; L370-D372 PolarHBondContact O-N 3.42Å; L370-L373 HydrophobicContact CD2-CD1 4.19Å; L370-L373 PolarHBondContact O-N 3.18Å |
| 371 | N | 53 | Low | 47.3 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -63.7 | -31.8 | 173.2 | -63.5 | -45.5 | 0 | 0 | 0 | 112.9 | E369 L373 L374 | E369-N371 HydrophobicContact CB-CB 4.25Å; E369-N371 PolarHBondContact O-N 2.93Å; E369-N371 PolarHBondContact OE2-ND2 2.98Å; N371-L373 VanDerWaalsContact C-N 3.27Å; N371-L373 PolarHBondContact O-N 3.09Å; N371-L374 PolarHBondContact O-N 2.95Å |
| 372 | D | 58 | Low | 47.4 | Very low | 105 Ų | 105 | 126 Ų | 126 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -71.5 | -22.5 | -177.8 | -63.7 | -47.6 | 0 | 0 | 0 | 112.6 | E369 L370 L374 | E369-D372 PolarHBondContact N-OD2 3.4Å; E369-D372 WeakPolarHBondContact O-CB 3.29Å; E369-D372 PolarHBondContact O-N 2.86Å; L370-D372 VanDerWaalsContact C-N 3.3Å; L370-D372 PolarHBondContact O-N 3.42Å; D372-L374 VanDerWaalsContact C-N 3.28Å; D372-L374 PolarHBondContact O-N 3.15Å |
| 373 | L | 52.6 | Low | 46.9 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -79.7 | -3.5 | 177.6 | -75 | 167.1 | 0 | 0 | 0 | 114.1 | L370 N371 | L370-L373 HydrophobicContact CD2-CD1 4.19Å; L370-L373 PolarHBondContact O-N 3.18Å; N371-L373 VanDerWaalsContact C-N 3.27Å; N371-L373 PolarHBondContact O-N 3.09Å |
| 374 | L | 43.5 | Very low | 46.6 | Very low | 146 Ų | 146 | 135 Ų | 135 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -120.9 | 16.8 | -178.7 | -66.7 | 174.8 | 0 | 0 | 0 | 113.3 | N371 D372 P376 | N371-L374 PolarHBondContact O-N 2.95Å; D372-L374 VanDerWaalsContact C-N 3.28Å; D372-L374 PolarHBondContact O-N 3.15Å; L374-P376 WeakPolarHBondContact O-CD 3.45Å |
| 375 | A | 48.2 | Very low | 45.7 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 121.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 376 | P | 43.4 | Very low | 45.1 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134.3 | 178.5 | -20.4 | 33.3 | 0 | 0 | 0 | 112.3 | L374 P378 | L374-P376 WeakPolarHBondContact O-CD 3.45Å; P376-P378 WeakPolarHBondContact O-CD 3.44Å |
| 377 | D | 43.9 | Very low | 44.7 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 121.4 | 176 | 175.4 | 17.5 | 0 | 0 | 0 | 111.1 | S379 | D377-S379 PolarHBondContact O-N 2.97Å; D377-S379 WeakPolarHBondContact OD1-CB 3.48Å; D377-S379 PolarHBondContact OD1-N 2.87Å; D377-S379 PolarHBondContact OD1-OG 3.34Å; D377-S379 WeakPolarHBondContact OD2-CB 2.89Å; D377-S379 PolarHBondContact OD2-OG 2.79Å |
| 378 | P | 46.8 | Very low | 44 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 16 | -178 | 31.6 | -37.8 | 0 | 0 | 0 | 114.9 | P376 | P376-P378 WeakPolarHBondContact O-CD 3.44Š|
| 379 | S | 44.9 | Very low | 43.5 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 45% | 0.448 | 75% | 0.745 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.7 | -16.3 | -172.8 | 69.6 | 0 | 0 | 0 | 0 | 116.1 | D377 | D377-S379 PolarHBondContact O-N 2.97Å; D377-S379 WeakPolarHBondContact OD1-CB 3.48Å; D377-S379 PolarHBondContact OD1-N 2.87Å; D377-S379 PolarHBondContact OD1-OG 3.34Å; D377-S379 WeakPolarHBondContact OD2-CB 2.89Å; D377-S379 PolarHBondContact OD2-OG 2.79Å |
| 380 | F | 38.9 | Very low | 43 | Very low | 183 Ų | 183 | 134.1 Ų | 134.1 | 80% | 0.803 | 75% | 0.749 | S | S | * | * | trans | -116.9 | 107.8 | -174.1 | -78.3 | -84.3 | 0 | 0 | 0 | 114.5 | ||||
| 381 | P | 34.2 | Very low | 42.8 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -87.3 | 109.8 | 169.1 | 32.6 | -30.4 | 0 | 0 | 0 | 111.4 | ||||
| 382 | S | 42.7 | Very low | 42.3 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -110.5 | 102.8 | 167.8 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | F384 | S382-F384 PolarHBondContact O-N 2.65Š| ||
| 383 | E | 34.3 | Very low | 41.4 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -67.2 | 120.8 | 169.6 | -62.4 | 179.4 | 116.4 | 0 | 0 | 110 | ||||
| 384 | F | 41 | Very low | 40.8 | Very low | 211 Ų | 211 | 142 Ų | 142 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -151.2 | 132.1 | 144.6 | -103.6 | -68.9 | 0 | 0 | 0 | 111.3 | S382 | S382-F384 PolarHBondContact O-N 2.65Š| ||
| 385 | S | 32.4 | Very low | 40.5 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 120.9 | -169.2 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 386 | A | 41.5 | Very low | 39.7 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 139 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 387 | Q | 43.4 | Very low | 39.6 | Very low | 192 Ų | 192 | 144.5 Ų | 144.5 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 154.2 | -175.2 | -66.5 | -174.8 | -87.7 | 0 | 0 | 113.1 | ||
| 388 | D | 34.3 | Very low | 39.1 | Very low | 111 Ų | 111 | 147.9 Ų | 147.9 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138.8 | 178.3 | -143.5 | -28.5 | 0 | 0 | 0 | 113.4 | Q390 | D388-Q390 VanDerWaalsContact CG-NE2 3.34Å; D388-Q390 WeakPolarHBondContact OD1-CG 3.28Å; D388-Q390 PolarHBondContact OD1-N 2.71Å; D388-Q390 PolarHBondContact OD1-NE2 3.38Å; D388-Q390 PolarHBondContact OD2-NE2 3.29Å; D388-Q390 VanDerWaalsContact OD2-NE2 3.08Å |
| 389 | N | 41.3 | Very low | 38.6 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -160.2 | 69.3 | 155.1 | -100.8 | -48.4 | 0 | 0 | 0 | 109.8 | ||||
| 390 | Q | 37.4 | Very low | 38 | Very low | 144 Ų | 144 | 157.7 Ų | 157.7 | 67% | 0.673 | 82% | 0.816 | S | S | * | * | trans | -59.6 | 133.1 | 164.4 | -65.9 | 156.8 | 59.5 | 0 | 0 | 110.8 | D388 | D388-Q390 VanDerWaalsContact CG-NE2 3.34Å; D388-Q390 WeakPolarHBondContact OD1-CG 3.28Å; D388-Q390 PolarHBondContact OD1-N 2.71Å; D388-Q390 PolarHBondContact OD1-NE2 3.38Å; D388-Q390 PolarHBondContact OD2-NE2 3.29Å; D388-Q390 VanDerWaalsContact OD2-NE2 3.08Å | ||
| 391 | Y | 43.5 | Very low | 37.9 | Very low | 238 Ų | 238 | 151.4 Ų | 151.4 | 93% | 0.933 | 80% | 0.803 | S | S | * | * | -158.2 | 146.4 | 125.2 | -104.1 | -66.2 | 0 | 0 | 0 | 110.7 | |||||
| 392 | M | 42.8 | Very low | 37.9 | Very low | 140 Ų | 140 | 153.8 Ų | 153.8 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -89.4 | 147.2 | -161.5 | -73 | -112.2 | -69.4 | 0 | 0 | 115.1 | ||||
| 393 | Q | 38.1 | Very low | 38 | Very low | 137 Ų | 137 | 158.7 Ų | 158.7 | 64% | 0.64 | 81% | 0.805 | S | S | * | * | trans | 14.6 | 136.9 | 133.6 | -50.7 | 178.4 | -1.5 | 0 | 0 | 118.6 | ||||
| 394 | H | 39.3 | Very low | 38.3 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | -171.6 | 165.3 | 102.3 | -91.1 | -48.8 | 0 | 0 | 0 | 111.9 | |||||
| 395 | P | 37.3 | Very low | 38.1 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -105.3 | -178.2 | -147.5 | 40.8 | -38.2 | 0 | 0 | 0 | 116.8 | ||||
| 396 | L | 32.5 | Very low | 38.6 | Very low | 178 Ų | 178 | 154.5 Ų | 154.5 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -50.4 | 139.4 | -178 | -67.5 | 166.1 | 0 | 0 | 0 | 115.9 | ||||
| 397 | A | 42 | Very low | 38.6 | Very low | 102 Ų | 102 | 153.1 Ų | 153.1 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -142.6 | 141.3 | 152 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 398 | Q | 33.4 | Very low | 38.8 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -83.3 | 146.3 | 179.2 | -59.5 | 160.2 | -31.8 | 0 | 0 | 110.8 | ||||
| 399 | Y | 35.6 | Very low | 39.5 | Very low | 236 Ų | 236 | 149.4 Ų | 149.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -161.1 | 145.9 | 143.5 | -123.7 | -81.2 | 0 | 0 | 0 | 112.6 | ||||
| 400 | N | 31.1 | Very low | 39.7 | Very low | 165 Ų | 165 | 149.9 Ų | 149.9 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -90.8 | 148.6 | 178.6 | -80 | -30.6 | 0 | 0 | 0 | 112.7 | ||||
| 401 | G | 37.3 | Very low | 40 | Very low | 51 Ų | 51 | 147.6 Ų | 147.6 | 53% | 0.526 | 79% | 0.79 | S | S | . | * | trans | 157.2 | 89.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y403 | G401-Y403 VanDerWaalsContact O-CE1 3.27Å; G401-Y403 WeakPolarHBondContact O-CE1 3.27Å | ||
| 402 | H | 35 | Very low | 39.8 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | 69 | 97.2 | 73.6 | -168.1 | 60.3 | 0 | 0 | 0 | 113 | |||||
| 403 | Y | 43.6 | Very low | 39.9 | Very low | 219 Ų | 219 | 144 Ų | 144 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -145.7 | 164.2 | 164.5 | 20.9 | -86.8 | 0 | 0 | 0 | 109.3 | G401 | G401-Y403 VanDerWaalsContact O-CE1 3.27Å; G401-Y403 WeakPolarHBondContact O-CE1 3.27Å | ||
| 404 | D | 41.2 | Very low | 40 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | -114 | 175.7 | -139.9 | -145.7 | -19.7 | 0 | 0 | 0 | 115.6 | ||||
| 405 | L | 38 | Very low | 39.9 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -77.8 | 140 | -167.4 | -65.8 | 159.7 | 0 | 0 | 0 | 115.1 | ||||
| 406 | S | 42.7 | Very low | 40.1 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -156 | 132.8 | 144.6 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 407 | G | 41.3 | Very low | 40.4 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -94.6 | -144.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 408 | P | 47.5 | Very low | 40.1 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -140.4 | 173.3 | 11.8 | 41.2 | -23.1 | 0 | 0 | 0 | 117.5 | ||||
| 409 | S | 48.1 | Very low | 40.5 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | 63.9 | 150.2 | 149.1 | 60.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 410 | E | 46.5 | Very low | 41 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | cis | -155.9 | -168.9 | 6.5 | -136.2 | -166.8 | 159.8 | 0 | 0 | 110.8 | ||||
| 411 | P | 42.7 | Very low | 42.3 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 62% | 0.617 | 79% | 0.785 | S | S | * | * | -121.2 | 159.3 | -95.8 | 36.8 | -19 | 0 | 0 | 0 | 118.8 | |||||
| 412 | T | 39.2 | Very low | 42.4 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 33.4 | 128.6 | 134.6 | -46.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 413 | M | 44.4 | Very low | 43.2 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 89% | 0.892 | 80% | 0.801 | S | S | * | * | trans | -135.9 | 132.9 | 143.5 | -88.6 | -70.8 | -86.2 | 0 | 0 | 110.3 | ||||
| 414 | P | 41.6 | Very low | 43 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | trans | -97.5 | 169.3 | -173.2 | 37.8 | -35.9 | 0 | 0 | 0 | 115.1 | ||||
| 415 | S | 36.2 | Very low | 43 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -67.4 | 153.2 | 176.8 | -172.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 416 | I | 42.6 | Very low | 43.3 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | trans | -120.3 | 85.5 | 177.6 | -173.1 | 171.1 | 0 | 0 | 0 | 112.1 | ||||
| 417 | F | 39.2 | Very low | 43.2 | Very low | 196 Ų | 196 | 137 Ų | 137 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -150.8 | 92.2 | 162.9 | -102 | -79.6 | 0 | 0 | 0 | 109 | ||||
| 418 | D | 35.3 | Very low | 43.4 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | 177 | 93.8 | 152.4 | -97.6 | -24.1 | 0 | 0 | 0 | 110.5 | ||||
| 419 | V | 40.4 | Very low | 43.1 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -144.8 | 91.2 | 166.9 | -174 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 420 | F | 47.1 | Very low | 42.8 | Very low | 208 Ų | 208 | 139.4 Ų | 139.4 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -139.1 | 129.8 | 151.6 | -89.5 | -77.1 | 0 | 0 | 0 | 108.5 | ||||
| 421 | P | 58.1 | Low | 42.8 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | trans | -81.1 | 146.7 | -172.2 | 31.8 | -35.2 | 0 | 0 | 0 | 112.4 | ||||
| 422 | P | 40.4 | Very low | 42.9 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -74.6 | 142.9 | 170.3 | 32.3 | -34 | 0 | 0 | 0 | 110.6 | ||||
| 423 | N | 52.2 | Low | 43.3 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -117.6 | 128.7 | 167.4 | -164.1 | 15.4 | 0 | 0 | 0 | 108.6 | ||||
| 424 | N | 39.2 | Very low | 43.4 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -143 | 132 | -162 | -148 | 3.2 | 0 | 0 | 0 | 111.9 | ||||
| 425 | G | 41.5 | Very low | 43.6 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | 107.1 | 155 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 426 | V | 43 | Very low | 44.1 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | cis | -149.4 | 129.2 | 5.3 | 158.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 427 | L | 41.5 | Very low | 44.2 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 51.3 | 153.7 | 153.1 | -95.8 | 67.8 | 0 | 0 | 0 | 124.5 | ||||
| 428 | A | 43.9 | Very low | 44.5 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | 74.6 | 137.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 429 | T | 42.3 | Very low | 45.2 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | cis | -177.4 | 145.8 | -34.5 | 15.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 430 | D | 41.9 | Very low | 45.9 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 47 | 122.5 | 156.2 | -43.3 | -32.2 | 0 | 0 | 0 | 118.7 | ||||
| 431 | D | 45.5 | Very low | 46.3 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | -168.7 | 156.2 | 73.8 | -138.8 | -7.3 | 0 | 0 | 0 | 111.3 | |||||
| 432 | P | 45.2 | Very low | 46.2 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | -114.4 | 131.6 | -178.2 | 36.7 | -24.8 | 0 | 0 | 0 | 115.3 | ||||
| 433 | A | 47.8 | Very low | 47.4 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -150.8 | 126.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 434 | N | 46.9 | Very low | 47.8 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | 15.3 | 130.7 | 146.5 | -45.8 | -41.5 | 0 | 0 | 0 | 118.6 | ||||
| 435 | Y | 46.2 | Very low | 48.6 | Very low | 230 Ų | 230 | 145.6 Ų | 145.6 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | -161.2 | 161.3 | 69.7 | -121.3 | -94.3 | 0 | 0 | 0 | 114.1 | |||||
| 436 | L | 45.3 | Very low | 49 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 84% | 0.836 | S | S | * | * | trans | -93.7 | 144.5 | 166 | -72.6 | 139.1 | 0 | 0 | 0 | 110.2 | ||||
| 437 | D | 44.8 | Very low | 49.3 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | trans | -161.8 | 136.3 | 138.1 | -141.1 | 4.5 | 0 | 0 | 0 | 112.6 | ||||
| 438 | P | 46.3 | Very low | 49.8 | Very low | 103 Ų | 103 | 149.8 Ų | 149.8 | 67% | 0.669 | 84% | 0.837 | S | S | * | * | trans | -112.4 | 158.9 | 169.8 | 38.4 | -29.4 | 0 | 0 | 0 | 113.9 | ||||
| 439 | A | 49 | Very low | 50.1 | Low | 97 Ų | 97 | 153.7 Ų | 153.7 | 80% | 0.802 | 85% | 0.845 | S | S | * | * | trans | 75.8 | 140.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 440 | M | 56.3 | Low | 50.6 | Low | 182 Ų | 182 | 156.2 Ų | 156.2 | 90% | 0.897 | 85% | 0.854 | S | S | * | * | trans | -142.4 | 111.8 | 163.6 | -101.7 | -80.3 | -168.5 | 0 | 0 | 106.4 | ||||
| 441 | Q | 54.4 | Low | 51.2 | Low | 187 Ų | 187 | 156.5 Ų | 156.5 | 87% | 0.874 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -93 | 148.7 | 173.5 | -76.3 | 174.6 | -70 | 0 | 0 | 110.4 | ||
| 442 | F | 57.1 | Low | 51.6 | Low | 205 Ų | 205 | 156 Ų | 156 | 90% | 0.899 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 145.2 | 164.8 | -77.6 | -87.9 | 0 | 0 | 0 | 110.3 | ||
| 443 | P | 65.8 | Low | 52.1 | Low | 110 Ų | 110 | 159.1 Ų | 159.1 | 71% | 0.714 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 154.5 | -165 | 36.1 | -36.9 | 0 | 0 | 0 | 114.3 | ||
| 444 | F | 60.8 | Low | 52.4 | Low | 205 Ų | 205 | 164.7 Ų | 164.7 | 90% | 0.899 | 87% | 0.873 | S | S | * | * | trans | -154.4 | 135.6 | 156.1 | -99.3 | -73.3 | 0 | 0 | 0 | 110.7 | ||||
| 445 | S | 56.1 | Low | 52.9 | Low | 195 Ų | 195 | 166.5 Ų | 166.5 | 100% | 1.364 | 88% | 0.881 | S | S | * | * | trans | 71.3 | 0 | 179.6 | -44.8 | 0 | 0 | 0 | 0 | 116.1 |
Retrieved 445 of 445 residues in 68.3 ms
(Link to these results)