| 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 | 72.4 | Confident | 92.2 | Very high | 175 Ų | 175 | 57.3 Ų | 57.3 | 86% | 0.862 | 32% | 0.319 | S | S | * | . | 0 | 126.2 | 0 | -62.5 | 171.1 | 94.4 | 0 | 0 | 106.7 | W27 D29 | M1-W27 HydrophobicContact CB-CE3 3.94Å; M1-W27 HydrophobicContact CB-CZ3 4.04Å; M1-D29 HydrophobicContact CE-CB 4.47Å; M1-D29 WeakPolarHBondContact CE-OD2 3.45Å | |||
| 2 | A | 89.7 | Confident | 92.2 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | trans | -101 | 144.3 | -177 | 0 | 0 | 0 | 0 | 0 | 110.3 | A28 | A2-A28 HydrophobicContact CB-CB 4.38Å; A2-A28 WeakPolarHBondContact O-CB 2.91Å; A2-A28 PolarHBondContact O-N 3.21Å | ||
| 3 | V | 92.5 | Very high | 92 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127.9 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 108 | W27 | V3-W27 HydrophobicContact CG2-CD2 4.04Å; V3-W27 HydrophobicContact CG2-CE3 3.73Å; V3-W27 HydrophobicContact CG2-CH2 3.78Å; V3-W27 HydrophobicContact CG2-CZ2 4.07Å; V3-W27 HydrophobicContact CG2-CZ3 3.6Å |
| 4 | V | 93.5 | Very high | 91.2 | Very high | 85 Ų | 85 | 55.6 Ų | 55.6 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -45.1 | 176.8 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | L26 A28 | V4-L26 HydrophobicContact CB-CG 4.45Å; V4-L26 HydrophobicContact CG1-CD2 4.47Å; V4-L26 PolarHBondContact N-O 3.25Å; V4-A28 HydrophobicContact CG2-CB 3.89Å |
| 5 | K | 94.7 | Very high | 90.7 | Very high | 57 Ų | 57 | 62 Ų | 62 | 25% | 0.248 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 139.2 | -179.9 | -170.9 | 175.6 | 174.9 | 74.3 | 0 | 109.7 | L26 W100 A103 | K5-L26 HydrophobicContact CB-CB 4.44Å; K5-L26 PolarHBondContact N-O 3.33Å; K5-L26 PolarHBondContact O-N 2.81Å; K5-W100 HydrophobicContact CB-CH2 4.32Å; K5-W100 HydrophobicContact CB-CZ3 4.24Å; K5-W100 HydrophobicContact CD-CD2 3.75Å; K5-W100 HydrophobicContact CD-CE3 3.77Å; K5-W100 HydrophobicContact CD-CG 4.34Å; K5-W100 HydrophobicContact CD-CH2 4.17Å; K5-W100 HydrophobicContact CD-CZ2 4.15Å; K5-W100 HydrophobicContact CD-CZ3 3.98Å; K5-W100 HydrophobicContact CG-CD2 4.48Å; K5-W100 HydrophobicContact CG-CE3 4.33Å; K5-W100 HydrophobicContact CG-CH2 3.86Å; K5-W100 HydrophobicContact CG-CZ2 4.01Å; K5-W100 HydrophobicContact CG-CZ3 4.03Å; K5-A103 HydrophobicContact CD-CB 4.13Å |
| 6 | S | 95.6 | Very high | 90.4 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.7 | 174.1 | 60.8 | 0 | 0 | 0 | 0 | 110.6 | F24 D25 | S6-F24 CarbonylContact C-O 3.54Å; S6-F24 WeakPolarHBondContact CA-O 3.32Å; S6-D25 WeakPolarHBondContact CB-OD1 3.48Å |
| 7 | G | 95.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 71.1 Ų | 71.1 | 12% | 0.124 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | 173.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | F24 | G7-F24 PolarHBondContact N-O 2.98Å; G7-F24 PolarHBondContact O-N 2.95Å |
| 8 | W | 95.4 | Very high | 90.2 | Very high | 61 Ų | 61 | 76.8 Ų | 76.8 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 135.5 | 176.5 | -68.4 | 102.8 | 0 | 0 | 0 | 111.2 | R21 N22 W23 Q38 | W8-R21 HydrophobicContact CB-CG 4.4Å; W8-R21 HydrophobicContact CD2-CG 4.34Å; W8-R21 HydrophobicContact CE3-CG 3.72Å; W8-R21 VanDerWaalsContact CG-CZ 3.49Å; W8-R21 HydrophobicContact CZ3-CG 4.35Å; W8-N22 WeakPolarHBondContact CA-O 3.22Å; W8-W23 AromaticContact CD1-CE3 3.67Å; W8-W23 AromaticContact CD1-CZ3 3.53Å; W8-W23 AromaticContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CZ3 4.42Å; W8-W23 AromaticContact CE2-CE3 3.59Å; W8-W23 HydrophobicContact CE3-CB 4.32Å; W8-W23 HydrophobicContact CE3-CE3 4.48Å; W8-W23 AromaticContact CG-CE3 3.86Å; W8-W23 HydrophobicContact CG-CE3 3.86Å; W8-W23 HydrophobicContact CG-CZ3 4.13Å; W8-W23 HydrophobicContact CZ2-CE3 4.2Å; W8-W23 HydrophobicContact CZ3-CB 4.24Å; W8-W23 AromaticContact NE1-CE3 3.48Å; W8-W23 AromaticContact NE1-CZ3 3.47Å; W8-Q38 HydrophobicContact CZ2-CB 3.98Å |
| 9 | L | 95.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 151.7 | 166.3 | -64.8 | 171.4 | 0 | 0 | 0 | 109 | N22 F24 F77 L89 A91 W100 | L9-N22 PolarHBondContact N-O 3.38Å; L9-N22 PolarHBondContact O-N 3.16Å; L9-F24 HydrophobicContact CB-CD2 3.6Å; L9-F24 HydrophobicContact CB-CE2 3.59Å; L9-F24 HydrophobicContact CB-CG 4.45Å; L9-F24 HydrophobicContact CB-CZ 4.43Å; L9-F24 HydrophobicContact CD1-CB 4.33Å; L9-F24 HydrophobicContact CD1-CD1 4.26Å; L9-F24 HydrophobicContact CD1-CD2 3.9Å; L9-F24 HydrophobicContact CD1-CE2 4.27Å; L9-F24 HydrophobicContact CD1-CG 3.9Å; L9-F24 HydrophobicContact CG-CD2 4.03Å; L9-F24 HydrophobicContact CG-CE2 4.42Å; L9-F24 HydrophobicContact CG-CG 4.45Å; L9-F77 HydrophobicContact CD1-CZ 3.89Å; L9-F77 HydrophobicContact CD2-CE1 4.27Å; L9-F77 HydrophobicContact CD2-CZ 4.31Å; L9-L89 HydrophobicContact CD1-CD1 4.34Å; L9-A91 HydrophobicContact CD2-CB 3.71Å; L9-W100 HydrophobicContact CD1-CD2 3.93Å; L9-W100 HydrophobicContact CD1-CE3 4.35Å; L9-W100 HydrophobicContact CD1-CG 4.2Å; L9-W100 HydrophobicContact CD1-CZ2 4.31Å; L9-W100 HydrophobicContact CD2-CG 4.25Å; L9-W100 HydrophobicContact CG-CZ2 4.44Å |
| 10 | H | 94.5 | Very high | 90.4 | Very high | 34 Ų | 34 | 77.2 Ų | 77.2 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.5 | 168.9 | -60.4 | 79.4 | 0 | 0 | 0 | 108.9 | W19 K20 P68 L89 C90 D92 | H10-W19 HydrophobicContact CB-CE3 3.83Å; H10-W19 HydrophobicContact CB-CZ3 4.48Å; H10-W19 WeakPolarHBondContact O-CZ3 3.46Å; H10-K20 CarbonylContact C-O 3.56Å; H10-K20 WeakPolarHBondContact CA-O 3.4Å; H10-P68 HydrophobicContact CB-CG 4.22Å; H10-L89 CarbonylContact O-C 3.42Å; H10-L89 VanDerWaalsContact O-CA 3.24Å; H10-L89 WeakPolarHBondContact O-CA 3.39Å; H10-C90 HydrophobicContact CB-CB 4.11Å; H10-C90 PolarHBondContact N-O 2.75Å; H10-C90 PolarHBondContact O-N 3.39Å; H10-D92 IonicContact CE1-OD1 3.97Å |
| 11 | R | 94.2 | Very high | 90.6 | Very high | 30 Ų | 30 | 79.2 Ų | 79.2 | 11% | 0.113 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.7 | 175.9 | -169.8 | -173.2 | 73.8 | 78.7 | -6 | 109.9 | W19 K20 F24 F34 E44 I87 L89 | R11-W19 CarbonylContact O-C 3.39Å; R11-W19 WeakPolarHBondContact O-CA 3.41Å; R11-K20 PolarHBondContact N-O 2.97Å; R11-K20 PolarHBondContact O-N 2.94Å; R11-F24 HydrophobicContact CB-CZ 4.27Å; R11-F34 VanDerWaalsContact CD-CE2 3.48Å; R11-E44 IonicContact CZ-OE1 3.57Å; R11-E44 IonicContact CZ-OE2 3.68Å; R11-E44 IonicContact NE-OE1 3.74Å; R11-E44 IonicContact NE-OE2 3.08Å; R11-E44 PolarHBondContact NE-OE2 3.13Å; R11-E44 VanDerWaalsContact NE-OE2 3.08Å; R11-E44 VanDerWaalsContact NH2-CD 3.28Å; R11-E44 IonicContact NH2-OE1 2.65Å; R11-E44 PolarHBondContact NH2-OE1 3.18Å; R11-E44 IonicContact NH2-OE2 3.48Å; R11-E44 PolarHBondContact NH2-OE2 3.03Å; R11-I87 HydrophobicContact CG-CG2 4.18Å; R11-L89 HydrophobicContact CB-CD2 3.97Å; R11-L89 HydrophobicContact CG-CD2 3.92Å |
| 12 | Q | 93.1 | Very high | 91.6 | Very high | 22 Ų | 22 | 71 Ų | 71 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.1 | 171.8 | -157.9 | 179.4 | 13 | 0 | 0 | 110.3 | R17 W19 L65 S88 | Q12-R17 WeakPolarHBondContact CG-O 3.43Å; Q12-R17 PolarHBondContact NE2-O 3.07Å; Q12-W19 HydrophobicContact CB-CD2 4.2Å; Q12-W19 HydrophobicContact CB-CE3 4.01Å; Q12-W19 HydrophobicContact CB-CH2 4.11Å; Q12-W19 HydrophobicContact CB-CZ2 4.29Å; Q12-W19 HydrophobicContact CB-CZ3 3.97Å; Q12-W19 HydrophobicContact CG-CD2 4.38Å; Q12-W19 HydrophobicContact CG-CZ2 4.47Å; Q12-L65 VanDerWaalsContact OE1-CD2 3.26Å; Q12-S88 PolarHBondContact N-O 2.78Å; Q12-S88 PolarHBondContact OE1-OG 2.81Å |
| 13 | S | 88.8 | Confident | 91.9 | Very high | 16 Ų | 16 | 69 Ų | 69 | 11% | 0.112 | 33% | 0.328 | C | S | . | . | trans | -66.6 | 143.1 | 170.9 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | R17 R18 | S13-R17 VanDerWaalsContact O-CA 3.24Å; S13-R17 WeakPolarHBondContact O-CA 3.48Å; S13-R17 PolarHBondContact O-N 3.43Å; S13-R17 PolarHBondContact OG-N 3.33Å; S13-R18 PolarHBondContact N-O 2.94Å; S13-R18 PolarHBondContact OG-N 3.16Å; S13-R18 PolarHBondContact OG-O 3.37Å | ||
| 14 | T | 81.5 | Confident | 92.1 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 68% | 0.675 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -34.3 | -176.6 | 48.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 15 | I | 83.7 | Confident | 92.2 | Very high | 152 Ų | 152 | 62.4 Ų | 62.4 | 78% | 0.779 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -55.7 | -175.9 | -58.4 | 170.5 | 0 | 0 | 0 | 111.3 | ||
| 16 | L | 85.1 | Confident | 92.2 | Very high | 119 Ų | 119 | 59.8 Ų | 59.8 | 62% | 0.623 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -5 | -172.8 | -63.6 | 174.9 | 0 | 0 | 0 | 113.4 | R18 | L16-R18 HydrophobicContact CB-CG 4.07Å; L16-R18 PolarHBondContact O-N 2.85Å |
| 17 | R | 86.8 | Confident | 92.2 | Very high | 159 Ų | 159 | 59.5 Ų | 59.5 | 60% | 0.6 | 27% | 0.267 | S | S | * | . | trans | 53.2 | 18.8 | -176.7 | -58.8 | -173.6 | 104.8 | -154.4 | 6.2 | 114.7 | Q12 S13 | Q12-R17 WeakPolarHBondContact CG-O 3.43Å; Q12-R17 PolarHBondContact NE2-O 3.07Å; S13-R17 VanDerWaalsContact O-CA 3.24Å; S13-R17 WeakPolarHBondContact O-CA 3.48Å; S13-R17 PolarHBondContact O-N 3.43Å; S13-R17 PolarHBondContact OG-N 3.33Å | ||
| 18 | R | 90.6 | Very high | 92 | Very high | 175 Ų | 175 | 61.5 Ų | 61.5 | 66% | 0.66 | 28% | 0.282 | S | S | * | . | trans | -82.6 | 143.3 | 175.9 | -63.6 | -178.9 | -175.7 | -157.5 | -0.4 | 110.8 | S13 L16 | S13-R18 PolarHBondContact N-O 2.94Å; S13-R18 PolarHBondContact OG-N 3.16Å; S13-R18 PolarHBondContact OG-O 3.37Å; L16-R18 HydrophobicContact CB-CG 4.07Å; L16-R18 PolarHBondContact O-N 2.85Å | ||
| 19 | W | 92.7 | Very high | 91.7 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 20% | 0.201 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.1 | 172.3 | -66.7 | 100.2 | 0 | 0 | 0 | 110.5 | H10 R11 Q12 N66 P68 L76 C90 | H10-W19 HydrophobicContact CB-CE3 3.83Å; H10-W19 HydrophobicContact CB-CZ3 4.48Å; H10-W19 WeakPolarHBondContact O-CZ3 3.46Å; R11-W19 CarbonylContact O-C 3.39Å; R11-W19 WeakPolarHBondContact O-CA 3.41Å; Q12-W19 HydrophobicContact CB-CD2 4.2Å; Q12-W19 HydrophobicContact CB-CE3 4.01Å; Q12-W19 HydrophobicContact CB-CH2 4.11Å; Q12-W19 HydrophobicContact CB-CZ2 4.29Å; Q12-W19 HydrophobicContact CB-CZ3 3.97Å; Q12-W19 HydrophobicContact CG-CD2 4.38Å; Q12-W19 HydrophobicContact CG-CZ2 4.47Å; W19-N66 WeakPolarHBondContact CZ2-O 3.49Å; W19-N66 PolarHBondContact NE1-O 3.31Å; W19-P68 HydrophobicContact CB-CB 4.01Å; W19-P68 HydrophobicContact CB-CG 4.49Å; W19-P68 HydrophobicContact CD2-CB 4.35Å; W19-P68 HydrophobicContact CD2-CG 4.07Å; W19-P68 HydrophobicContact CE3-CG 4.43Å; W19-P68 HydrophobicContact CG-CB 3.84Å; W19-P68 HydrophobicContact CG-CG 4.09Å; W19-L76 HydrophobicContact CH2-CD2 3.4Å; W19-L76 VanDerWaalsContact CH2-CD2 3.4Å; W19-L76 HydrophobicContact CZ2-CD2 3.69Å; W19-L76 HydrophobicContact CZ3-CD2 4.34Å; W19-C90 HydrophobicContact CE3-CB 4.27Å; W19-C90 HydrophobicContact CH2-CB 4.09Å; W19-C90 HydrophobicContact CZ3-CB 3.79Å |
| 20 | K | 92.6 | Very high | 91.5 | Very high | 107 Ų | 107 | 60.5 Ų | 60.5 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.9 | 172.9 | -68.2 | -173 | 176.9 | -173.8 | 0 | 108.8 | H10 R11 N22 | H10-K20 CarbonylContact C-O 3.56Å; H10-K20 WeakPolarHBondContact CA-O 3.4Å; R11-K20 PolarHBondContact N-O 2.97Å; R11-K20 PolarHBondContact O-N 2.94Å; K20-N22 PolarHBondContact O-OD1 3.48Å |
| 21 | R | 93.1 | Very high | 91.5 | Very high | 120 Ų | 120 | 63.4 Ų | 63.4 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.4 | 173.8 | -157.2 | -179.3 | -176.8 | -141 | 4.5 | 108 | W8 D92 | W8-R21 HydrophobicContact CB-CG 4.4Å; W8-R21 HydrophobicContact CD2-CG 4.34Å; W8-R21 HydrophobicContact CE3-CG 3.72Å; W8-R21 VanDerWaalsContact CG-CZ 3.49Å; W8-R21 HydrophobicContact CZ3-CG 4.35Å; R21-D92 IonicContact NH2-OD2 3.14Å |
| 22 | N | 94.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.9 | -177 | -73.3 | 104.8 | 0 | 0 | 0 | 109.6 | W8 L9 K20 F24 Y35 E44 | W8-N22 WeakPolarHBondContact CA-O 3.22Å; L9-N22 PolarHBondContact N-O 3.38Å; L9-N22 PolarHBondContact O-N 3.16Å; K20-N22 PolarHBondContact O-OD1 3.48Å; N22-F24 HydrophobicContact CB-CD2 4.27Å; N22-F24 HydrophobicContact CB-CE2 3.65Å; N22-F24 HydrophobicContact CB-CZ 4.4Å; N22-F24 WeakPolarHBondContact O-CD2 3.41Å; N22-Y35 WeakPolarHBondContact CA-O 3.48Å; N22-Y35 WeakPolarHBondContact CB-O 3.13Å; N22-Y35 PolarHBondContact ND2-O 3.21Å; N22-E44 VanDerWaalsContact CG-OE2 3.28Å; N22-E44 PolarHBondContact ND2-OE2 3.48Å; N22-E44 PolarHBondContact OD1-OE2 2.65Å |
| 23 | W | 95.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125.2 | 173.4 | -176.1 | -93.9 | 0 | 0 | 0 | 109.8 | W8 D25 F34 Y35 Q38 | W8-W23 AromaticContact CD1-CE3 3.67Å; W8-W23 AromaticContact CD1-CZ3 3.53Å; W8-W23 AromaticContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CE3 3.78Å; W8-W23 HydrophobicContact CD2-CZ3 4.42Å; W8-W23 AromaticContact CE2-CE3 3.59Å; W8-W23 HydrophobicContact CE3-CB 4.32Å; W8-W23 HydrophobicContact CE3-CE3 4.48Å; W8-W23 AromaticContact CG-CE3 3.86Å; W8-W23 HydrophobicContact CG-CE3 3.86Å; W8-W23 HydrophobicContact CG-CZ3 4.13Å; W8-W23 HydrophobicContact CZ2-CE3 4.2Å; W8-W23 HydrophobicContact CZ3-CB 4.24Å; W8-W23 AromaticContact NE1-CE3 3.48Å; W8-W23 AromaticContact NE1-CZ3 3.47Å; W23-D25 PolarHBondContact NE1-OD1 3.35Å; W23-D25 PolarHBondContact NE1-OD2 3.21Å; W23-F34 CarbonylContact O-C 3.51Å; W23-F34 WeakPolarHBondContact O-CA 3.45Å; W23-Y35 PolarHBondContact N-O 3.12Å; W23-Y35 PolarHBondContact O-N 2.92Å; W23-Q38 HydrophobicContact CD2-CB 4.01Å; W23-Q38 HydrophobicContact CD2-CG 3.88Å; W23-Q38 HydrophobicContact CE3-CB 4Å; W23-Q38 HydrophobicContact CE3-CG 3.93Å; W23-Q38 HydrophobicContact CG-CB 4.28Å; W23-Q38 HydrophobicContact CG-CG 4.48Å; W23-Q38 HydrophobicContact CH2-CG 4.11Å; W23-Q38 HydrophobicContact CZ2-CG 4.07Å; W23-Q38 HydrophobicContact CZ3-CG 4.05Å |
| 24 | F | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.6 | 179.1 | -74 | -105.5 | 0 | 0 | 0 | 110.1 | S6 G7 L9 R11 N22 L32 V33 F34 L89 W100 | S6-F24 CarbonylContact C-O 3.54Å; S6-F24 WeakPolarHBondContact CA-O 3.32Å; G7-F24 PolarHBondContact N-O 2.98Å; G7-F24 PolarHBondContact O-N 2.95Å; L9-F24 HydrophobicContact CB-CD2 3.6Å; L9-F24 HydrophobicContact CB-CE2 3.59Å; L9-F24 HydrophobicContact CB-CG 4.45Å; L9-F24 HydrophobicContact CB-CZ 4.43Å; L9-F24 HydrophobicContact CD1-CB 4.33Å; L9-F24 HydrophobicContact CD1-CD1 4.26Å; L9-F24 HydrophobicContact CD1-CD2 3.9Å; L9-F24 HydrophobicContact CD1-CE2 4.27Å; L9-F24 HydrophobicContact CD1-CG 3.9Å; L9-F24 HydrophobicContact CG-CD2 4.03Å; L9-F24 HydrophobicContact CG-CE2 4.42Å; L9-F24 HydrophobicContact CG-CG 4.45Å; R11-F24 HydrophobicContact CB-CZ 4.27Å; N22-F24 HydrophobicContact CB-CD2 4.27Å; N22-F24 HydrophobicContact CB-CE2 3.65Å; N22-F24 HydrophobicContact CB-CZ 4.4Å; N22-F24 WeakPolarHBondContact O-CD2 3.41Å; F24-L32 HydrophobicContact CB-CD1 4.43Å; F24-L32 HydrophobicContact CD1-CD1 4.02Å; F24-L32 HydrophobicContact CD1-CD2 4.19Å; F24-L32 HydrophobicContact CD1-CG 4.16Å; F24-L32 HydrophobicContact CE1-CD2 4.46Å; F24-V33 WeakPolarHBondContact CA-O 3.35Å; F24-F34 HydrophobicContact CD1-CB 3.53Å; F24-F34 HydrophobicContact CD1-CD1 4.01Å; F24-F34 HydrophobicContact CD1-CG 4.07Å; F24-F34 HydrophobicContact CD2-CB 4.05Å; F24-F34 HydrophobicContact CE1-CB 3.49Å; F24-F34 VanDerWaalsContact CE1-CB 3.49Å; F24-F34 AromaticContact CE1-CD1 3.47Å; F24-F34 HydrophobicContact CE1-CD1 3.47Å; F24-F34 VanDerWaalsContact CE1-CD1 3.47Å; F24-F34 HydrophobicContact CE1-CD2 4.44Å; F24-F34 HydrophobicContact CE1-CE1 4.28Å; F24-F34 AromaticContact CE1-CG 3.56Å; F24-F34 HydrophobicContact CE1-CG 3.56Å; F24-F34 HydrophobicContact CE2-CB 4.02Å; F24-F34 HydrophobicContact CG-CB 3.81Å; F24-F34 HydrophobicContact CZ-CB 3.73Å; F24-F34 HydrophobicContact CZ-CD1 4.13Å; F24-F34 HydrophobicContact CZ-CD2 4.31Å; F24-F34 AromaticContact CZ-CG 3.81Å; F24-F34 HydrophobicContact CZ-CG 3.81Å; F24-L89 HydrophobicContact CE1-CD1 4.34Å; F24-L89 HydrophobicContact CE1-CD2 3.9Å; F24-L89 HydrophobicContact CE2-CD2 4.18Å; F24-L89 HydrophobicContact CZ-CD2 3.41Å; F24-L89 VanDerWaalsContact CZ-CD2 3.41Å; F24-W100 HydrophobicContact CB-CH2 3.83Å; F24-W100 HydrophobicContact CB-CZ2 4.35Å; F24-W100 HydrophobicContact CB-CZ3 4.35Å |
| 25 | D | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 120 | 168.5 | -68.8 | -50.2 | 0 | 0 | 0 | 109.2 | S6 W23 V33 Y35 R40 | S6-D25 WeakPolarHBondContact CB-OD1 3.48Å; W23-D25 PolarHBondContact NE1-OD1 3.35Å; W23-D25 PolarHBondContact NE1-OD2 3.21Å; D25-V33 PolarHBondContact N-O 3.41Å; D25-V33 PolarHBondContact O-N 2.95Å; D25-Y35 HydrophobicContact CB-CE2 4.42Å; D25-Y35 WeakPolarHBondContact OD2-CE2 3.32Å; D25-R40 VanDerWaalsContact CG-NH2 3.28Å; D25-R40 IonicContact OD1-CZ 3.95Å; D25-R40 IonicContact OD1-NE 2.73Å; D25-R40 IonicContact OD1-NH2 3.43Å; D25-R40 PolarHBondContact OD1-NH2 3.05Å; D25-R40 IonicContact OD2-CZ 3.83Å; D25-R40 VanDerWaalsContact OD2-CZ 3.25Å; D25-R40 IonicContact OD2-NE 3.28Å; D25-R40 PolarHBondContact OD2-NE 3.35Å; D25-R40 IonicContact OD2-NH2 2.69Å; D25-R40 PolarHBondContact OD2-NH2 2.82Å; D25-R40 VanDerWaalsContact OD2-NH2 3.14Å |
| 26 | L | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 118.8 | 169.5 | -179.4 | 64 | 0 | 0 | 0 | 108.9 | V4 K5 L32 M49 W100 A103 L104 A107 | V4-L26 HydrophobicContact CB-CG 4.45Å; V4-L26 HydrophobicContact CG1-CD2 4.47Å; V4-L26 PolarHBondContact N-O 3.25Å; K5-L26 HydrophobicContact CB-CB 4.44Å; K5-L26 PolarHBondContact N-O 3.33Å; K5-L26 PolarHBondContact O-N 2.81Å; L26-L32 HydrophobicContact CB-CD1 4.07Å; L26-L32 HydrophobicContact CD1-CB 4.2Å; L26-L32 HydrophobicContact CD1-CD1 4.22Å; L26-M49 HydrophobicContact CD1-CG 4.22Å; L26-W100 HydrophobicContact CB-CZ3 4.27Å; L26-A103 HydrophobicContact CD2-CB 3.81Å; L26-L104 HydrophobicContact CD1-CD2 4.15Å; L26-L104 HydrophobicContact CD2-CD2 4.35Å; L26-A107 HydrophobicContact CD1-CB 3.8Å; L26-A107 HydrophobicContact CD2-CB 4.11Å; L26-A107 HydrophobicContact CG-CB 4.37Å |
| 27 | W | 94.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 152.9 | -178.8 | -64.2 | 88 | 0 | 0 | 0 | 111.6 | M1 V3 D29 G30 R31 | M1-W27 HydrophobicContact CB-CE3 3.94Å; M1-W27 HydrophobicContact CB-CZ3 4.04Å; V3-W27 HydrophobicContact CG2-CD2 4.04Å; V3-W27 HydrophobicContact CG2-CE3 3.73Å; V3-W27 HydrophobicContact CG2-CH2 3.78Å; V3-W27 HydrophobicContact CG2-CZ2 4.07Å; V3-W27 HydrophobicContact CG2-CZ3 3.6Å; W27-D29 WeakPolarHBondContact CB-OD1 3.3Å; W27-D29 PolarHBondContact O-N 2.85Å; W27-G30 WeakPolarHBondContact O-CA 3.24Å; W27-G30 PolarHBondContact O-N 3.39Å; W27-R31 HydrophobicContact CB-CB 4.44Å; W27-R31 WeakPolarHBondContact CB-O 3.3Å; W27-R31 PolarHBondContact N-O 3.02Å |
| 28 | A | 91.4 | Very high | 93.1 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 44% | 0.438 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A2 V4 G30 | A2-A28 HydrophobicContact CB-CB 4.38Å; A2-A28 WeakPolarHBondContact O-CB 2.91Å; A2-A28 PolarHBondContact O-N 3.21Å; V4-A28 HydrophobicContact CG2-CB 3.89Å; A28-G30 PolarHBondContact O-N 2.83Å |
| 29 | D | 90.3 | Very high | 92.9 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.3 | 171 | 64.9 | -9.7 | 0 | 0 | 0 | 112.8 | M1 W27 R31 H48 | M1-D29 HydrophobicContact CE-CB 4.47Å; M1-D29 WeakPolarHBondContact CE-OD2 3.45Å; W27-D29 WeakPolarHBondContact CB-OD1 3.3Å; W27-D29 PolarHBondContact O-N 2.85Å; D29-R31 WeakPolarHBondContact OD1-CB 3.19Å; D29-R31 PolarHBondContact OD1-N 2.84Å; D29-R31 VanDerWaalsContact OD2-CD 3.22Å; D29-R31 WeakPolarHBondContact OD2-CD 3.42Å; D29-R31 WeakPolarHBondContact OD2-CG 3.44Å; D29-H48 PolarHBondContact O-CE1 2.8Å |
| 30 | G | 91.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 89.3 | 12.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W27 A28 M49 | W27-G30 WeakPolarHBondContact O-CA 3.24Å; W27-G30 PolarHBondContact O-N 3.39Å; A28-G30 PolarHBondContact O-N 2.83Å; G30-M49 VanDerWaalsContact O-CB 3.29Å; G30-M49 WeakPolarHBondContact O-CB 3.4Å; G30-M49 WeakPolarHBondContact O-CG 3.31Å; G30-M49 PolarHBondContact O-N 2.73Å |
| 31 | R | 94.2 | Very high | 92 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 36% | 0.362 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.7 | 170.3 | -64.5 | -179.2 | 78.1 | -178.4 | 3.5 | 110.3 | W27 D29 D46 | W27-R31 HydrophobicContact CB-CB 4.44Å; W27-R31 WeakPolarHBondContact CB-O 3.3Å; W27-R31 PolarHBondContact N-O 3.02Å; D29-R31 WeakPolarHBondContact OD1-CB 3.19Å; D29-R31 PolarHBondContact OD1-N 2.84Å; D29-R31 VanDerWaalsContact OD2-CD 3.22Å; D29-R31 WeakPolarHBondContact OD2-CD 3.42Å; D29-R31 WeakPolarHBondContact OD2-CG 3.44Å; R31-D46 IonicContact CZ-OD2 3.82Å; R31-D46 IonicContact NE-OD2 2.75Å; R31-D46 PolarHBondContact NE-OD2 3.08Å; R31-D46 IonicContact NH2-OD1 2.74Å; R31-D46 IonicContact NH2-OD2 3.03Å; R31-D46 PolarHBondContact NH2-OD2 2.83Å |
| 32 | L | 95.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 114.5 | 167.3 | -178.8 | 68.9 | 0 | 0 | 0 | 107.7 | F24 L26 D46 I47 M49 I79 W100 L104 | F24-L32 HydrophobicContact CB-CD1 4.43Å; F24-L32 HydrophobicContact CD1-CD1 4.02Å; F24-L32 HydrophobicContact CD1-CD2 4.19Å; F24-L32 HydrophobicContact CD1-CG 4.16Å; F24-L32 HydrophobicContact CE1-CD2 4.46Å; L26-L32 HydrophobicContact CB-CD1 4.07Å; L26-L32 HydrophobicContact CD1-CB 4.2Å; L26-L32 HydrophobicContact CD1-CD1 4.22Å; L32-D46 CarbonylContact O-C 3.53Å; L32-D46 WeakPolarHBondContact O-CA 2.91Å; L32-I47 PolarHBondContact N-O 2.86Å; L32-I47 PolarHBondContact O-N 2.75Å; L32-M49 HydrophobicContact CB-CG 4.09Å; L32-M49 HydrophobicContact CB-SD 4Å; L32-M49 HydrophobicContact CD2-SD 4.13Å; L32-I79 HydrophobicContact CD2-CD1 3.65Å; L32-W100 HydrophobicContact CD1-CZ3 4.38Å; L32-L104 HydrophobicContact CD1-CD2 4.02Å; L32-L104 HydrophobicContact CD2-CD2 3.78Å; L32-L104 HydrophobicContact CG-CD2 4.33Å |
| 33 | V | 95.1 | Very high | 91.3 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 6% | 0.055 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 139.1 | 177.4 | -171.2 | 0 | 0 | 0 | 0 | 108 | F24 D25 Y35 M43 D46 | F24-V33 WeakPolarHBondContact CA-O 3.35Å; D25-V33 PolarHBondContact N-O 3.41Å; D25-V33 PolarHBondContact O-N 2.95Å; V33-Y35 HydrophobicContact CB-CE2 4.1Å; V33-Y35 HydrophobicContact CG1-CD2 4.43Å; V33-Y35 HydrophobicContact CG1-CE1 4.03Å; V33-Y35 HydrophobicContact CG1-CE2 3.7Å; V33-Y35 VanDerWaalsContact CG1-CZ 3.47Å; V33-Y35 WeakPolarHBondContact CG1-OH 3.13Å; V33-M43 HydrophobicContact CG1-CG 3.71Å; V33-M43 HydrophobicContact CG1-SD 3.76Å; V33-D46 HydrophobicContact CB-CB 4.38Å; V33-D46 HydrophobicContact CG1-CB 4.27Å; V33-D46 HydrophobicContact CG2-CB 3.95Å |
| 34 | F | 94.3 | Very high | 91 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.2 | 172.3 | 54 | -87.7 | 0 | 0 | 0 | 113 | R11 W23 F24 E44 D45 I47 | R11-F34 VanDerWaalsContact CD-CE2 3.48Å; W23-F34 CarbonylContact O-C 3.51Å; W23-F34 WeakPolarHBondContact O-CA 3.45Å; F24-F34 HydrophobicContact CD1-CB 3.53Å; F24-F34 HydrophobicContact CD1-CD1 4.01Å; F24-F34 HydrophobicContact CD1-CG 4.07Å; F24-F34 HydrophobicContact CD2-CB 4.05Å; F24-F34 HydrophobicContact CE1-CB 3.49Å; F24-F34 VanDerWaalsContact CE1-CB 3.49Å; F24-F34 AromaticContact CE1-CD1 3.47Å; F24-F34 HydrophobicContact CE1-CD1 3.47Å; F24-F34 VanDerWaalsContact CE1-CD1 3.47Å; F24-F34 HydrophobicContact CE1-CD2 4.44Å; F24-F34 HydrophobicContact CE1-CE1 4.28Å; F24-F34 AromaticContact CE1-CG 3.56Å; F24-F34 HydrophobicContact CE1-CG 3.56Å; F24-F34 HydrophobicContact CE2-CB 4.02Å; F24-F34 HydrophobicContact CG-CB 3.81Å; F24-F34 HydrophobicContact CZ-CB 3.73Å; F24-F34 HydrophobicContact CZ-CD1 4.13Å; F24-F34 HydrophobicContact CZ-CD2 4.31Å; F24-F34 AromaticContact CZ-CG 3.81Å; F24-F34 HydrophobicContact CZ-CG 3.81Å; F34-E44 HydrophobicContact CD2-CB 3.83Å; F34-E44 HydrophobicContact CD2-CG 4.3Å; F34-E44 HydrophobicContact CE2-CB 3.97Å; F34-E44 HydrophobicContact CE2-CG 4.02Å; F34-E44 PolarHBondContact O-N 3.45Å; F34-D45 HydrophobicContact CE1-CB 3.83Å; F34-D45 HydrophobicContact CE2-CB 3.64Å; F34-D45 HydrophobicContact CZ-CB 3.27Å; F34-D45 PolarHBondContact N-O 2.95Å; F34-D45 VanDerWaalsContact N-O 3.07Å; F34-D45 PolarHBondContact O-N 2.95Å; F34-I47 HydrophobicContact CE1-CD1 4.13Å; F34-I47 HydrophobicContact CE1-CG1 4.43Å |
| 35 | Y | 94 | Very high | 90.8 | Very high | 25 Ų | 25 | 62 Ų | 62 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 160.6 | -172.1 | -54.8 | -90.2 | 0 | 0 | 0 | 109.7 | N22 W23 D25 V33 D37 R40 D42 M43 | N22-Y35 WeakPolarHBondContact CA-O 3.48Å; N22-Y35 WeakPolarHBondContact CB-O 3.13Å; N22-Y35 PolarHBondContact ND2-O 3.21Å; W23-Y35 PolarHBondContact N-O 3.12Å; W23-Y35 PolarHBondContact O-N 2.92Å; D25-Y35 HydrophobicContact CB-CE2 4.42Å; D25-Y35 WeakPolarHBondContact OD2-CE2 3.32Å; V33-Y35 HydrophobicContact CB-CE2 4.1Å; V33-Y35 HydrophobicContact CG1-CD2 4.43Å; V33-Y35 HydrophobicContact CG1-CE1 4.03Å; V33-Y35 HydrophobicContact CG1-CE2 3.7Å; V33-Y35 VanDerWaalsContact CG1-CZ 3.47Å; V33-Y35 WeakPolarHBondContact CG1-OH 3.13Å; Y35-D37 VanDerWaalsContact C-N 3.31Å; Y35-D37 WeakPolarHBondContact CB-O 3.29Å; Y35-R40 HydrophobicContact CD1-CB 4.03Å; Y35-R40 HydrophobicContact CD2-CB 4.44Å; Y35-R40 HydrophobicContact CD2-CG 4.04Å; Y35-R40 HydrophobicContact CE1-CB 3.89Å; Y35-R40 HydrophobicContact CE1-CG 4.41Å; Y35-R40 HydrophobicContact CE2-CB 4.31Å; Y35-R40 HydrophobicContact CE2-CG 3.92Å; Y35-R40 HydrophobicContact CG-CB 4.3Å; Y35-R40 HydrophobicContact CG-CG 4.34Å; Y35-D42 VanDerWaalsContact CA-O 3.3Å; Y35-D42 WeakPolarHBondContact CA-O 3.38Å; Y35-D42 WeakPolarHBondContact CB-O 3.19Å; Y35-M43 HydrophobicContact CD1-CB 3.98Å; Y35-M43 HydrophobicContact CD1-CG 4.39Å; Y35-M43 HydrophobicContact CE1-CB 3.95Å; Y35-M43 HydrophobicContact CE1-CG 4.17Å |
| 36 | N | 90.6 | Very high | 90.7 | Very high | 66 Ų | 66 | 64.1 Ų | 64.1 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -61.6 | -44.9 | 169.8 | -71.3 | -26.5 | 0 | 0 | 0 | 110.5 | D42 | N36-D42 HydrophobicContact CB-CB 4.3Å; N36-D42 PolarHBondContact N-O 2.83Å |
| 37 | D | 90 | Very high | 90.6 | Very high | 95 Ų | 95 | 64.1 Ų | 64.1 | 51% | 0.508 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -135.3 | 164.1 | -175.8 | -70.5 | -46.5 | 0 | 0 | 0 | 113 | Y35 E39 R40 | Y35-D37 VanDerWaalsContact C-N 3.31Å; Y35-D37 WeakPolarHBondContact CB-O 3.29Å; D37-E39 PolarHBondContact O-N 2.93Å; D37-E39 VanDerWaalsContact O-N 3.12Å; D37-R40 PolarHBondContact O-N 2.75Å; D37-R40 VanDerWaalsContact O-N 3.14Å |
| 38 | Q | 87.9 | Confident | 90.6 | Very high | 111 Ų | 111 | 64.1 Ų | 64.1 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.6 | 178.5 | -173.2 | 175.3 | 12.7 | 0 | 0 | 113.6 | W8 W23 R40 | W8-Q38 HydrophobicContact CZ2-CB 3.98Å; W23-Q38 HydrophobicContact CD2-CB 4.01Å; W23-Q38 HydrophobicContact CD2-CG 3.88Å; W23-Q38 HydrophobicContact CE3-CB 4Å; W23-Q38 HydrophobicContact CE3-CG 3.93Å; W23-Q38 HydrophobicContact CG-CB 4.28Å; W23-Q38 HydrophobicContact CG-CG 4.48Å; W23-Q38 HydrophobicContact CH2-CG 4.11Å; W23-Q38 HydrophobicContact CZ2-CG 4.07Å; W23-Q38 HydrophobicContact CZ3-CG 4.05Å; Q38-R40 PolarHBondContact O-N 3.32Å |
| 39 | E | 85.4 | Confident | 90.8 | Very high | 129 Ų | 129 | 61.6 Ų | 61.6 | 60% | 0.603 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.2 | 176.1 | -59.3 | -159.8 | 170.6 | 0 | 0 | 113.5 | D37 R41 | D37-E39 PolarHBondContact O-N 2.93Å; D37-E39 VanDerWaalsContact O-N 3.12Å; E39-R41 HydrophobicContact CB-CG 4.08Å; E39-R41 PolarHBondContact O-N 3.02Å; E39-R41 IonicContact OE2-CZ 3.25Å; E39-R41 IonicContact OE2-NE 3.72Å; E39-R41 PolarHBondContact OE2-NE 3.33Å; E39-R41 IonicContact OE2-NH2 3.75Å; E39-R41 PolarHBondContact OE2-NH2 2.85Å |
| 40 | R | 86.6 | Confident | 90.8 | Very high | 109 Ų | 109 | 64 Ų | 64 | 41% | 0.411 | 29% | 0.292 | S | S | . | . | trans | 56.7 | 20.8 | 176.7 | -59 | 173.2 | 172.9 | 160.7 | -1.3 | 114.6 | D25 Y35 D37 Q38 | D25-R40 VanDerWaalsContact CG-NH2 3.28Å; D25-R40 IonicContact OD1-CZ 3.95Å; D25-R40 IonicContact OD1-NE 2.73Å; D25-R40 IonicContact OD1-NH2 3.43Å; D25-R40 PolarHBondContact OD1-NH2 3.05Å; D25-R40 IonicContact OD2-CZ 3.83Å; D25-R40 VanDerWaalsContact OD2-CZ 3.25Å; D25-R40 IonicContact OD2-NE 3.28Å; D25-R40 PolarHBondContact OD2-NE 3.35Å; D25-R40 IonicContact OD2-NH2 2.69Å; D25-R40 PolarHBondContact OD2-NH2 2.82Å; D25-R40 VanDerWaalsContact OD2-NH2 3.14Å; Y35-R40 HydrophobicContact CD1-CB 4.03Å; Y35-R40 HydrophobicContact CD2-CB 4.44Å; Y35-R40 HydrophobicContact CD2-CG 4.04Å; Y35-R40 HydrophobicContact CE1-CB 3.89Å; Y35-R40 HydrophobicContact CE1-CG 4.41Å; Y35-R40 HydrophobicContact CE2-CB 4.31Å; Y35-R40 HydrophobicContact CE2-CG 3.92Å; Y35-R40 HydrophobicContact CG-CB 4.3Å; Y35-R40 HydrophobicContact CG-CG 4.34Å; D37-R40 PolarHBondContact O-N 2.75Å; D37-R40 VanDerWaalsContact O-N 3.14Å; Q38-R40 PolarHBondContact O-N 3.32Å | ||
| 41 | R | 80 | Confident | 90.9 | Very high | 192 Ų | 192 | 67.7 Ų | 67.7 | 73% | 0.725 | 31% | 0.313 | S | S | * | . | trans | -77.3 | -45.4 | -179.3 | -62.5 | -170.6 | -161.5 | -163.6 | 8 | 112.1 | E39 | E39-R41 HydrophobicContact CB-CG 4.08Å; E39-R41 PolarHBondContact O-N 3.02Å; E39-R41 IonicContact OE2-CZ 3.25Å; E39-R41 IonicContact OE2-NE 3.72Å; E39-R41 PolarHBondContact OE2-NE 3.33Å; E39-R41 IonicContact OE2-NH2 3.75Å; E39-R41 PolarHBondContact OE2-NH2 2.85Å | ||
| 42 | D | 84.8 | Confident | 90.9 | Very high | 97 Ų | 97 | 66.8 Ų | 66.8 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -107.8 | 96.7 | -177 | -60.8 | -43.5 | 0 | 0 | 0 | 109.8 | Y35 N36 E44 | Y35-D42 VanDerWaalsContact CA-O 3.3Å; Y35-D42 WeakPolarHBondContact CA-O 3.38Å; Y35-D42 WeakPolarHBondContact CB-O 3.19Å; N36-D42 HydrophobicContact CB-CB 4.3Å; N36-D42 PolarHBondContact N-O 2.83Å; D42-E44 PolarHBondContact O-N 2.86Å |
| 43 | M | 89.3 | Confident | 90.8 | Very high | 108 Ų | 108 | 67 Ų | 67 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124.4 | 172.7 | -172 | 178.9 | 80.1 | 0 | 0 | 109.3 | V33 Y35 | V33-M43 HydrophobicContact CG1-CG 3.71Å; V33-M43 HydrophobicContact CG1-SD 3.76Å; Y35-M43 HydrophobicContact CD1-CB 3.98Å; Y35-M43 HydrophobicContact CD1-CG 4.39Å; Y35-M43 HydrophobicContact CE1-CB 3.95Å; Y35-M43 HydrophobicContact CE1-CG 4.17Å |
| 44 | E | 89.4 | Confident | 90.8 | Very high | 57 Ų | 57 | 71.3 Ų | 71.3 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -46.1 | 178 | -169 | 174.1 | -156.8 | 0 | 0 | 110.6 | R11 N22 F34 D42 | R11-E44 IonicContact CZ-OE1 3.57Å; R11-E44 IonicContact CZ-OE2 3.68Å; R11-E44 IonicContact NE-OE1 3.74Å; R11-E44 IonicContact NE-OE2 3.08Å; R11-E44 PolarHBondContact NE-OE2 3.13Å; R11-E44 VanDerWaalsContact NE-OE2 3.08Å; R11-E44 VanDerWaalsContact NH2-CD 3.28Å; R11-E44 IonicContact NH2-OE1 2.65Å; R11-E44 PolarHBondContact NH2-OE1 3.18Å; R11-E44 IonicContact NH2-OE2 3.48Å; R11-E44 PolarHBondContact NH2-OE2 3.03Å; N22-E44 VanDerWaalsContact CG-OE2 3.28Å; N22-E44 PolarHBondContact ND2-OE2 3.48Å; N22-E44 PolarHBondContact OD1-OE2 2.65Å; F34-E44 HydrophobicContact CD2-CB 3.83Å; F34-E44 HydrophobicContact CD2-CG 4.3Å; F34-E44 HydrophobicContact CE2-CB 3.97Å; F34-E44 HydrophobicContact CE2-CG 4.02Å; F34-E44 PolarHBondContact O-N 3.45Å; D42-E44 PolarHBondContact O-N 2.86Å |
| 45 | D | 91.1 | Very high | 90.8 | Very high | 54 Ų | 54 | 74.7 Ų | 74.7 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 170.5 | 175.3 | -151 | -12.2 | 0 | 0 | 0 | 111.3 | F34 R85 | F34-D45 HydrophobicContact CE1-CB 3.83Å; F34-D45 HydrophobicContact CE2-CB 3.64Å; F34-D45 HydrophobicContact CZ-CB 3.27Å; F34-D45 PolarHBondContact N-O 2.95Å; F34-D45 VanDerWaalsContact N-O 3.07Å; F34-D45 PolarHBondContact O-N 2.95Å; D45-R85 IonicContact OD1-NH1 3.97Å; D45-R85 IonicContact OD2-CZ 3.95Å; D45-R85 IonicContact OD2-NH1 3.4Å; D45-R85 PolarHBondContact OD2-NH1 3.38Å |
| 46 | D | 93.6 | Very high | 90.8 | Very high | 44 Ų | 44 | 74 Ų | 74 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 154 | 170.2 | 84.1 | -79.9 | 0 | 0 | 0 | 114.1 | R31 L32 V33 | R31-D46 IonicContact CZ-OD2 3.82Å; R31-D46 IonicContact NE-OD2 2.75Å; R31-D46 PolarHBondContact NE-OD2 3.08Å; R31-D46 IonicContact NH2-OD1 2.74Å; R31-D46 IonicContact NH2-OD2 3.03Å; R31-D46 PolarHBondContact NH2-OD2 2.83Å; L32-D46 CarbonylContact O-C 3.53Å; L32-D46 WeakPolarHBondContact O-CA 2.91Å; V33-D46 HydrophobicContact CB-CB 4.38Å; V33-D46 HydrophobicContact CG1-CB 4.27Å; V33-D46 HydrophobicContact CG2-CB 3.95Å |
| 47 | I | 94.3 | Very high | 91 | Very high | 1 Ų | 1 | 75.7 Ų | 75.7 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 117.6 | -176.5 | -49.2 | 167.5 | 0 | 0 | 0 | 109 | L32 F34 M49 H52 I87 | L32-I47 PolarHBondContact N-O 2.86Å; L32-I47 PolarHBondContact O-N 2.75Å; F34-I47 HydrophobicContact CE1-CD1 4.13Å; F34-I47 HydrophobicContact CE1-CG1 4.43Å; I47-M49 HydrophobicContact CG2-SD 4.42Å; I47-M49 PolarHBondContact O-N 2.88Å; I47-H52 HydrophobicContact CG2-CB 3.78Å; I47-I87 HydrophobicContact CD1-CD1 3.07Å; I47-I87 HydrophobicContact CG1-CD1 4.18Å |
| 48 | H | 94.3 | Very high | 91 | Very high | 52 Ų | 52 | 72.8 Ų | 72.8 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 106.5 | 164.9 | -162.9 | -27.5 | 0 | 0 | 0 | 110.5 | D29 R50 V51 H52 | D29-H48 PolarHBondContact O-CE1 2.8Å; H48-R50 PolarHBondContact O-N 3.4Å; H48-V51 HydrophobicContact CB-CB 4.16Å; H48-V51 HydrophobicContact CB-CG2 4.31Å; H48-V51 PolarHBondContact O-N 3.44Å; H48-V51 VanDerWaalsContact O-N 3.15Å; H48-H52 PolarHBondContact N-CD2 3.49Å; H48-H52 WeakPolarHBondContact O-CB 3.33Å; H48-H52 PolarHBondContact O-N 3.27Å |
| 49 | M | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.7 | -48.9 | -174.5 | -66.6 | -59.3 | -62.8 | 0 | 0 | 112.4 | L26 G30 L32 I47 V51 C53 I56 I79 L104 A107 | L26-M49 HydrophobicContact CD1-CG 4.22Å; G30-M49 VanDerWaalsContact O-CB 3.29Å; G30-M49 WeakPolarHBondContact O-CB 3.4Å; G30-M49 WeakPolarHBondContact O-CG 3.31Å; G30-M49 PolarHBondContact O-N 2.73Å; L32-M49 HydrophobicContact CB-CG 4.09Å; L32-M49 HydrophobicContact CB-SD 4Å; L32-M49 HydrophobicContact CD2-SD 4.13Å; I47-M49 HydrophobicContact CG2-SD 4.42Å; I47-M49 PolarHBondContact O-N 2.88Å; M49-V51 VanDerWaalsContact C-N 3.32Å; M49-V51 PolarHBondContact O-N 2.95Å; M49-C53 HydrophobicContact CE-CB 3.74Å; M49-C53 WeakPolarHBondContact O-CA 3.42Å; M49-C53 WeakPolarHBondContact O-CB 3.32Å; M49-C53 PolarHBondContact O-N 3.07Å; M49-C53 HydrophobicContact SD-CB 4.27Å; M49-I56 HydrophobicContact CE-CD1 4.04Å; M49-I79 HydrophobicContact CE-CG2 4.34Å; M49-I79 HydrophobicContact SD-CD1 4.5Å; M49-L104 HydrophobicContact CE-CB 3.74Å; M49-L104 HydrophobicContact CE-CD2 3.64Å; M49-L104 HydrophobicContact CE-CG 4.2Å; M49-L104 HydrophobicContact CG-CD2 4.2Å; M49-L104 HydrophobicContact SD-CD2 3.79Å; M49-A107 HydrophobicContact CB-CB 4.15Å; M49-A107 HydrophobicContact CG-CB 4.26Å |
| 50 | R | 91.3 | Very high | 91 | Very high | 91 Ų | 91 | 67.5 Ų | 67.5 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -38.1 | 177.5 | -169.4 | -175.4 | -52.6 | 144.5 | 19.3 | 114.2 | H48 R108 N110 T111 | H48-R50 PolarHBondContact O-N 3.4Å; R50-R108 WeakPolarHBondContact CG-O 3.44Å; R50-N110 VanDerWaalsContact CZ-O 3.3Å; R50-N110 PolarHBondContact NE-O 3.27Å; R50-N110 PolarHBondContact NH2-O 2.86Å; R50-T111 VanDerWaalsContact CZ-CA 3.43Å; R50-T111 VanDerWaalsContact NH2-CA 3.31Å |
| 51 | V | 92.5 | Very high | 90.8 | Very high | 80 Ų | 80 | 65 Ų | 65 | 49% | 0.485 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -90.1 | -42.1 | -171.6 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | H48 M49 | H48-V51 HydrophobicContact CB-CB 4.16Å; H48-V51 HydrophobicContact CB-CG2 4.31Å; H48-V51 PolarHBondContact O-N 3.44Å; H48-V51 VanDerWaalsContact O-N 3.15Å; M49-V51 VanDerWaalsContact C-N 3.32Å; M49-V51 PolarHBondContact O-N 2.95Å |
| 52 | H | 94.4 | Very high | 90.9 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 36% | 0.356 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -99.2 | -36.5 | -172.1 | -61.7 | -45.6 | 0 | 0 | 0 | 113.2 | I47 H48 I54 C81 R82 | I47-H52 HydrophobicContact CG2-CB 3.78Å; H48-H52 PolarHBondContact N-CD2 3.49Å; H48-H52 WeakPolarHBondContact O-CB 3.33Å; H48-H52 PolarHBondContact O-N 3.27Å; H52-I54 PolarHBondContact O-N 3.24Å; H52-C81 CarbonylContact O-C 3.59Å; H52-C81 WeakPolarHBondContact O-CA 3.45Å; H52-R82 PolarHBondContact O-N 2.81Å |
| 53 | C | 93.9 | Very high | 90.5 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.3 | -177.2 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | M49 N55 I56 I79 R108 | M49-C53 HydrophobicContact CE-CB 3.74Å; M49-C53 WeakPolarHBondContact O-CA 3.42Å; M49-C53 WeakPolarHBondContact O-CB 3.32Å; M49-C53 PolarHBondContact O-N 3.07Å; M49-C53 HydrophobicContact SD-CB 4.27Å; C53-N55 PolarHBondContact SG-O 3.45Å; C53-I56 VanDerWaalsContact SG-CG1 3.58Å; C53-I79 HydrophobicContact CB-CG2 4.13Å; C53-R108 VanDerWaalsContact O-CD 3.31Å; C53-R108 WeakPolarHBondContact O-CD 3.04Å |
| 54 | I | 95 | Very high | 90 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -26.9 | 174.8 | 60.2 | 168.8 | 0 | 0 | 0 | 112.5 | H52 V80 R82 | H52-I54 PolarHBondContact O-N 3.24Å; I54-V80 HydrophobicContact CD1-CG1 3.88Å; I54-V80 HydrophobicContact CG1-CB 4.19Å; I54-V80 HydrophobicContact CG1-CG1 3.82Å; I54-V80 VanDerWaalsContact CG1-O 3.29Å; I54-V80 WeakPolarHBondContact CG1-O 3.24Å; I54-V80 PolarHBondContact N-O 3Å; I54-R82 HydrophobicContact CG2-CB 3.71Å; I54-R82 HydrophobicContact CG2-CG 4.15Å |
| 55 | N | 93.8 | Very high | 89.6 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 40% | 0.401 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 150.5 | 179.6 | -163.4 | 1.4 | 0 | 0 | 0 | 110.9 | C53 V80 | C53-N55 PolarHBondContact SG-O 3.45Å; N55-V80 HydrophobicContact CB-CB 4.13Å; N55-V80 HydrophobicContact CB-CG2 4.37Å; N55-V80 PolarHBondContact N-O 2.88Å; N55-V80 PolarHBondContact O-N 3.15Å |
| 56 | I | 94.6 | Very high | 89.2 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.051 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 117.5 | 171.4 | -54.7 | 162.5 | 0 | 0 | 0 | 107 | M49 C53 Q78 T101 L104 Q105 | M49-I56 HydrophobicContact CE-CD1 4.04Å; C53-I56 VanDerWaalsContact SG-CG1 3.58Å; I56-Q78 CarbonylContact C-O 3.46Å; I56-Q78 WeakPolarHBondContact CA-O 3.37Å; I56-T101 HydrophobicContact CG2-CG2 3.94Å; I56-L104 HydrophobicContact CD1-CB 3.54Å; I56-Q105 HydrophobicContact CD1-CB 4.5Å; I56-Q105 HydrophobicContact CD1-CG 3.89Å |
| 57 | R | 93.4 | Very high | 88.7 | Confident | 101 Ų | 101 | 61.6 Ų | 61.6 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.1 | -176.7 | -70.1 | 175.5 | -179.1 | 171.3 | 1 | 109.2 | A61 F77 Q78 V80 | R57-A61 HydrophobicContact CB-CB 3.89Å; R57-A61 HydrophobicContact CG-CB 4.13Å; R57-F77 CarbonylContact O-C 3.47Å; R57-F77 WeakPolarHBondContact O-CA 3.21Å; R57-F77 VanDerWaalsContact O-CB 3.31Å; R57-F77 WeakPolarHBondContact O-CB 3.41Å; R57-Q78 HydrophobicContact CB-CB 4.15Å; R57-Q78 PolarHBondContact N-O 3.05Å; R57-Q78 PolarHBondContact O-N 2.91Å; R57-V80 HydrophobicContact CG-CG2 4.21Å |
| 58 | G | 90.1 | Very high | 88.3 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | trans | -77.7 | -175.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A60 A61 C62 L76 | G58-A60 VanDerWaalsContact C-N 3.28Å; G58-A60 PolarHBondContact O-N 2.75Å; G58-A61 PolarHBondContact O-N 2.76Å; G58-A61 VanDerWaalsContact O-N 3.13Å; G58-C62 PolarHBondContact O-SG 2.69Å; G58-C62 VanDerWaalsContact O-SG 3.33Å; G58-L76 CarbonylContact C-O 3.59Å | ||
| 59 | S | 88.6 | Confident | 87.6 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -55 | -36.6 | -177.5 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | A61 C62 R73 L76 | S59-A61 PolarHBondContact O-N 3.43Å; S59-C62 WeakPolarHBondContact O-CB 3.42Å; S59-C62 PolarHBondContact O-N 3.4Å; S59-R73 WeakPolarHBondContact CB-O 3.45Å; S59-L76 WeakPolarHBondContact CA-O 3.37Å; S59-L76 WeakPolarHBondContact CB-O 3.37Å; S59-L76 PolarHBondContact N-O 3.41Å |
| 60 | A | 84.9 | Confident | 86.9 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -60.2 | -28.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G58 Q63 | G58-A60 VanDerWaalsContact C-N 3.28Å; G58-A60 PolarHBondContact O-N 2.75Å; A60-Q63 WeakPolarHBondContact O-CG 3.31Å; A60-Q63 PolarHBondContact O-NE2 3.01Å |
| 61 | A | 83.4 | Confident | 86.6 | Confident | 57 Ų | 57 | 71 Ų | 71 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -93.1 | -1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R57 G58 S59 | R57-A61 HydrophobicContact CB-CB 3.89Å; R57-A61 HydrophobicContact CG-CB 4.13Å; G58-A61 PolarHBondContact O-N 2.76Å; G58-A61 VanDerWaalsContact O-N 3.13Å; S59-A61 PolarHBondContact O-N 3.43Å |
| 62 | C | 81.9 | Confident | 86.2 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.034 | 41% | 0.41 | C | S | . | . | trans | -100.9 | 29.4 | -178.1 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | G58 S59 E64 L65 L76 | G58-C62 PolarHBondContact O-SG 2.69Å; G58-C62 VanDerWaalsContact O-SG 3.33Å; S59-C62 WeakPolarHBondContact O-CB 3.42Å; S59-C62 PolarHBondContact O-N 3.4Å; C62-E64 PolarHBondContact O-N 3.34Å; C62-E64 VanDerWaalsContact O-N 3.16Å; C62-L65 HydrophobicContact CB-CB 4.44Å; C62-L65 HydrophobicContact CB-CD1 4.03Å; C62-L65 HydrophobicContact CB-CG 4.37Å; C62-L65 WeakPolarHBondContact O-CB 3.47Å; C62-L65 PolarHBondContact O-N 3.28Å; C62-L76 HydrophobicContact CB-CB 4.17Å | ||
| 63 | Q | 76.1 | Confident | 85.9 | Confident | 154 Ų | 154 | 72.7 Ų | 72.7 | 72% | 0.72 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -27.5 | -172.1 | -61.7 | -177.7 | 7.5 | 0 | 0 | 114.1 | A60 L65 | A60-Q63 WeakPolarHBondContact O-CG 3.31Å; A60-Q63 PolarHBondContact O-NE2 3.01Å; Q63-L65 VanDerWaalsContact C-N 3.34Å |
| 64 | E | 78.3 | Confident | 85.8 | Confident | 172 Ų | 172 | 76.4 Ų | 76.4 | 80% | 0.804 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -7.5 | 179.8 | -62.3 | 178.1 | -173.5 | 0 | 0 | 113.4 | C62 | C62-E64 PolarHBondContact O-N 3.34Å; C62-E64 VanDerWaalsContact O-N 3.16Å |
| 65 | L | 81.1 | Confident | 85.7 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -91.1 | 130.7 | 178.4 | -63.7 | -174.3 | 0 | 0 | 0 | 110.7 | Q12 C62 Q63 L76 Q78 S88 | Q12-L65 VanDerWaalsContact OE1-CD2 3.26Å; C62-L65 HydrophobicContact CB-CB 4.44Å; C62-L65 HydrophobicContact CB-CD1 4.03Å; C62-L65 HydrophobicContact CB-CG 4.37Å; C62-L65 WeakPolarHBondContact O-CB 3.47Å; C62-L65 PolarHBondContact O-N 3.28Å; Q63-L65 VanDerWaalsContact C-N 3.34Å; L65-L76 HydrophobicContact CB-CD1 4.14Å; L65-Q78 HydrophobicContact CD1-CG 4.01Å; L65-S88 WeakPolarHBondContact CD1-OG 3.13Å |
| 66 | N | 83.5 | Confident | 85.7 | Confident | 111 Ų | 111 | 68.2 Ų | 68.2 | 59% | 0.594 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 123 | 166 | -68.7 | -39.5 | 0 | 0 | 0 | 108.6 | W19 | W19-N66 WeakPolarHBondContact CZ2-O 3.49Å; W19-N66 PolarHBondContact NE1-O 3.31Å |
| 67 | P | 83.1 | Confident | 85.7 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 159 | 176.7 | 28.2 | -33.7 | 0 | 0 | 0 | 110.3 | K71 R73 L76 | P67-K71 HydrophobicContact CB-CB 4.28Å; P67-K71 WeakPolarHBondContact CB-O 3.09Å; P67-K71 VanDerWaalsContact CG-O 3.3Å; P67-K71 WeakPolarHBondContact CG-O 3.5Å; P67-R73 HydrophobicContact CG-CG 3.8Å; P67-L76 HydrophobicContact CB-CD1 3.98Å; P67-L76 HydrophobicContact CB-CD2 4.41Å; P67-L76 HydrophobicContact CB-CG 4.29Å |
| 68 | P | 86.1 | Confident | 85.8 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -59.7 | 155.6 | 170.6 | 17.3 | -19.9 | 0 | 0 | 0 | 111.2 | H10 W19 G70 K71 C90 | H10-P68 HydrophobicContact CB-CG 4.22Å; W19-P68 HydrophobicContact CB-CB 4.01Å; W19-P68 HydrophobicContact CB-CG 4.49Å; W19-P68 HydrophobicContact CD2-CB 4.35Å; W19-P68 HydrophobicContact CD2-CG 4.07Å; W19-P68 HydrophobicContact CE3-CG 4.43Å; W19-P68 HydrophobicContact CG-CB 3.84Å; W19-P68 HydrophobicContact CG-CG 4.09Å; P68-G70 PolarHBondContact O-N 2.86Å; P68-K71 HydrophobicContact CG-CB 4.1Å; P68-K71 HydrophobicContact CG-CG 3.92Å; P68-K71 WeakPolarHBondContact O-CB 3.33Å; P68-K71 PolarHBondContact O-N 3.06Å; P68-C90 HydrophobicContact CG-CB 3.93Å |
| 69 | D | 79.5 | Confident | 86.1 | Confident | 173 Ų | 173 | 62.2 Ų | 62.2 | 93% | 0.925 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 123.9 | -172.6 | -70.3 | -28.6 | 0 | 0 | 0 | 112 | K71 | D69-K71 VanDerWaalsContact C-N 3.29Å; D69-K71 PolarHBondContact O-N 3.35Å |
| 70 | G | 79.6 | Confident | 86.4 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 92% | 0.918 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 0.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | P68 | P68-G70 PolarHBondContact O-N 2.86Š|
| 71 | K | 84.5 | Confident | 86.8 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | trans | -90.6 | 142.2 | 174 | -67.6 | -61.1 | -168.3 | -179.8 | 0 | 111.9 | P67 P68 D69 D92 | P67-K71 HydrophobicContact CB-CB 4.28Å; P67-K71 WeakPolarHBondContact CB-O 3.09Å; P67-K71 VanDerWaalsContact CG-O 3.3Å; P67-K71 WeakPolarHBondContact CG-O 3.5Å; P68-K71 HydrophobicContact CG-CB 4.1Å; P68-K71 HydrophobicContact CG-CG 3.92Å; P68-K71 WeakPolarHBondContact O-CB 3.33Å; P68-K71 PolarHBondContact O-N 3.06Å; D69-K71 VanDerWaalsContact C-N 3.29Å; D69-K71 PolarHBondContact O-N 3.35Å; K71-D92 WeakPolarHBondContact CE-OD1 3.16Å; K71-D92 PolarHBondContact NZ-O 2.87Å; K71-D92 IonicContact NZ-OD1 2.75Å; K71-D92 PolarHBondContact NZ-OD1 2.79Å | ||
| 72 | A | 84.9 | Confident | 87.3 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 44% | 0.438 | 33% | 0.332 | S | S | . | . | trans | -75.8 | 150.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D74 A75 | A72-D74 VanDerWaalsContact C-N 3.26Å; A72-D74 WeakPolarHBondContact CB-OD1 3.47Å; A72-D74 PolarHBondContact O-N 3.28Å; A72-A75 PolarHBondContact O-N 3.43Å | ||
| 73 | R | 88.3 | Confident | 87.8 | Confident | 140 Ų | 140 | 68.2 Ų | 68.2 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -70.7 | -25.1 | -176.6 | -74.5 | -176.3 | 167.6 | -168.6 | -7.2 | 112.9 | S59 P67 A75 L76 | S59-R73 WeakPolarHBondContact CB-O 3.45Å; P67-R73 HydrophobicContact CG-CG 3.8Å; R73-A75 PolarHBondContact O-N 3.03Å; R73-L76 HydrophobicContact CB-CD1 4.47Å; R73-L76 HydrophobicContact CG-CD1 4.48Å; R73-L76 WeakPolarHBondContact O-CB 3.33Å; R73-L76 PolarHBondContact O-N 3.07Å; R73-L76 VanDerWaalsContact O-N 3.16Å |
| 74 | D | 91 | Very high | 88.4 | Confident | 84 Ų | 84 | 63.7 Ų | 63.7 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.5 | -24.1 | 175.1 | 53.9 | 3 | 0 | 0 | 0 | 113.2 | A72 L76 A94 | A72-D74 VanDerWaalsContact C-N 3.26Å; A72-D74 WeakPolarHBondContact CB-OD1 3.47Å; A72-D74 PolarHBondContact O-N 3.28Å; D74-L76 VanDerWaalsContact C-N 3.25Å; D74-L76 PolarHBondContact O-N 2.85Å; D74-A94 HydrophobicContact CB-CB 3.93Å |
| 75 | A | 93.3 | Very high | 89 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -78.8 | -1.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A72 R73 C90 A91 A97 | A72-A75 PolarHBondContact O-N 3.43Å; R73-A75 PolarHBondContact O-N 3.03Å; A75-C90 WeakPolarHBondContact O-CA 3.37Å; A75-A91 PolarHBondContact O-N 3.4Å; A75-A97 WeakPolarHBondContact O-CB 3.44Å |
| 76 | L | 93.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 141.7 | 178.8 | -67.6 | 168.5 | 0 | 0 | 0 | 112.1 | W19 G58 S59 C62 L65 P67 R73 D74 L89 C90 | W19-L76 HydrophobicContact CH2-CD2 3.4Å; W19-L76 VanDerWaalsContact CH2-CD2 3.4Å; W19-L76 HydrophobicContact CZ2-CD2 3.69Å; W19-L76 HydrophobicContact CZ3-CD2 4.34Å; G58-L76 CarbonylContact C-O 3.59Å; S59-L76 WeakPolarHBondContact CA-O 3.37Å; S59-L76 WeakPolarHBondContact CB-O 3.37Å; S59-L76 PolarHBondContact N-O 3.41Å; C62-L76 HydrophobicContact CB-CB 4.17Å; L65-L76 HydrophobicContact CB-CD1 4.14Å; P67-L76 HydrophobicContact CB-CD1 3.98Å; P67-L76 HydrophobicContact CB-CD2 4.41Å; P67-L76 HydrophobicContact CB-CG 4.29Å; R73-L76 HydrophobicContact CB-CD1 4.47Å; R73-L76 HydrophobicContact CG-CD1 4.48Å; R73-L76 WeakPolarHBondContact O-CB 3.33Å; R73-L76 PolarHBondContact O-N 3.07Å; R73-L76 VanDerWaalsContact O-N 3.16Å; D74-L76 VanDerWaalsContact C-N 3.25Å; D74-L76 PolarHBondContact O-N 2.85Å; L76-L89 WeakPolarHBondContact CA-O 3.15Å; L76-C90 HydrophobicContact CD2-CB 3.61Å |
| 77 | F | 95.1 | Very high | 90 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 161.8 | 169.3 | 63.7 | -78.9 | 0 | 0 | 0 | 110.4 | L9 R57 L89 A91 A97 W100 L104 | L9-F77 HydrophobicContact CD1-CZ 3.89Å; L9-F77 HydrophobicContact CD2-CE1 4.27Å; L9-F77 HydrophobicContact CD2-CZ 4.31Å; R57-F77 CarbonylContact O-C 3.47Å; R57-F77 WeakPolarHBondContact O-CA 3.21Å; R57-F77 VanDerWaalsContact O-CB 3.31Å; R57-F77 WeakPolarHBondContact O-CB 3.41Å; F77-L89 HydrophobicContact CD1-CB 4.23Å; F77-L89 HydrophobicContact CD2-CB 4.2Å; F77-L89 HydrophobicContact CD2-CD1 4.28Å; F77-L89 HydrophobicContact CE1-CB 3.82Å; F77-L89 HydrophobicContact CE2-CB 3.8Å; F77-L89 HydrophobicContact CE2-CD1 3.46Å; F77-L89 VanDerWaalsContact CE2-CD1 3.46Å; F77-L89 HydrophobicContact CE2-CG 4.24Å; F77-L89 HydrophobicContact CG-CB 4.4Å; F77-L89 HydrophobicContact CZ-CB 3.6Å; F77-L89 HydrophobicContact CZ-CD1 3.76Å; F77-L89 HydrophobicContact CZ-CG 4.33Å; F77-L89 PolarHBondContact N-O 3.07Å; F77-L89 PolarHBondContact O-N 3.4Å; F77-A91 HydrophobicContact CE1-CB 4.32Å; F77-A97 HydrophobicContact CD1-CB 3.92Å; F77-A97 HydrophobicContact CE1-CB 4.29Å; F77-W100 HydrophobicContact CE1-CB 4.35Å; F77-W100 HydrophobicContact CE2-CB 4.41Å; F77-W100 HydrophobicContact CZ-CB 3.85Å; F77-W100 HydrophobicContact CZ-CG 4.41Å; F77-L104 HydrophobicContact CE2-CD1 3.79Å |
| 78 | Q | 95.3 | Very high | 90.6 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 9% | 0.093 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139 | -179.5 | -75.6 | 178.7 | -28.3 | 0 | 0 | 111.3 | I56 R57 L65 V86 I87 S88 | I56-Q78 CarbonylContact C-O 3.46Å; I56-Q78 WeakPolarHBondContact CA-O 3.37Å; R57-Q78 HydrophobicContact CB-CB 4.15Å; R57-Q78 PolarHBondContact N-O 3.05Å; R57-Q78 PolarHBondContact O-N 2.91Å; L65-Q78 HydrophobicContact CD1-CG 4.01Å; Q78-V86 HydrophobicContact CB-CG1 3.94Å; Q78-V86 HydrophobicContact CG-CG1 3.95Å; Q78-I87 VanDerWaalsContact CA-O 3.3Å; Q78-I87 WeakPolarHBondContact CA-O 3.47Å; Q78-S88 PolarHBondContact NE2-OG 2.88Å; Q78-S88 VanDerWaalsContact NE2-OG 3.12Å |
| 79 | I | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121.8 | 168.5 | -54.5 | 174.8 | 0 | 0 | 0 | 107.4 | L32 M49 C53 V86 I87 L89 L104 | L32-I79 HydrophobicContact CD2-CD1 3.65Å; M49-I79 HydrophobicContact CE-CG2 4.34Å; M49-I79 HydrophobicContact SD-CD1 4.5Å; C53-I79 HydrophobicContact CB-CG2 4.13Å; I79-V86 WeakPolarHBondContact O-CA 3.42Å; I79-I87 HydrophobicContact CB-CB 4.4Å; I79-I87 PolarHBondContact N-O 3.19Å; I79-I87 PolarHBondContact O-N 2.77Å; I79-L89 HydrophobicContact CD1-CD1 3.71Å; I79-L89 HydrophobicContact CG1-CD1 4.13Å; I79-L104 HydrophobicContact CD1-CD1 3.84Å; I79-L104 HydrophobicContact CD1-CD2 4.48Å; I79-L104 HydrophobicContact CG1-CD1 4.29Å |
| 80 | V | 94.5 | Very high | 91.7 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120 | 175.9 | -174.4 | 0 | 0 | 0 | 0 | 108.2 | I54 N55 R57 V86 | I54-V80 HydrophobicContact CD1-CG1 3.88Å; I54-V80 HydrophobicContact CG1-CB 4.19Å; I54-V80 HydrophobicContact CG1-CG1 3.82Å; I54-V80 VanDerWaalsContact CG1-O 3.29Å; I54-V80 WeakPolarHBondContact CG1-O 3.24Å; I54-V80 PolarHBondContact N-O 3Å; N55-V80 HydrophobicContact CB-CB 4.13Å; N55-V80 HydrophobicContact CB-CG2 4.37Å; N55-V80 PolarHBondContact N-O 2.88Å; N55-V80 PolarHBondContact O-N 3.15Å; R57-V80 HydrophobicContact CG-CG2 4.21Å; V80-V86 HydrophobicContact CG1-CG2 4.33Å; V80-V86 HydrophobicContact CG2-CG2 4.38Å |
| 81 | C | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 157.2 | 179 | -64.1 | 0 | 0 | 0 | 0 | 111.8 | H52 D83 G84 R85 | H52-C81 CarbonylContact O-C 3.59Å; H52-C81 WeakPolarHBondContact O-CA 3.45Å; C81-D83 WeakPolarHBondContact CB-OD1 3.45Å; C81-D83 PolarHBondContact O-N 3.15Å; C81-G84 PolarHBondContact O-N 3.06Å; C81-R85 HydrophobicContact CB-CB 4.14Å; C81-R85 WeakPolarHBondContact CB-O 3.29Å; C81-R85 PolarHBondContact N-O 3.07Å |
| 82 | R | 93.7 | Very high | 92.9 | Very high | 198 Ų | 198 | 42.4 Ų | 42.4 | 75% | 0.747 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28.5 | -177.2 | -171.9 | 176.3 | -180 | 176 | 0.7 | 113.5 | H52 I54 G84 | H52-R82 PolarHBondContact O-N 2.81Å; I54-R82 HydrophobicContact CG2-CB 3.71Å; I54-R82 HydrophobicContact CG2-CG 4.15Å; R82-G84 PolarHBondContact O-N 3.33Å |
| 83 | D | 91.5 | Very high | 93.2 | Very high | 105 Ų | 105 | 41.9 Ų | 41.9 | 56% | 0.561 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -0.6 | 174.9 | 60.1 | -9.2 | 0 | 0 | 0 | 113.2 | C81 R85 | C81-D83 WeakPolarHBondContact CB-OD1 3.45Å; C81-D83 PolarHBondContact O-N 3.15Å; D83-R85 VanDerWaalsContact C-N 3.28Å; D83-R85 WeakPolarHBondContact OD1-CB 3.38Å; D83-R85 PolarHBondContact OD1-N 2.76Å; D83-R85 IonicContact OD2-CZ 2.86Å; D83-R85 IonicContact OD2-NE 2.68Å; D83-R85 PolarHBondContact OD2-NE 3.46Å |
| 84 | G | 89.3 | Confident | 93.5 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 61% | 0.608 | 20% | 0.198 | S | C | * | . | S | Bend | trans | 84.8 | -1.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C81 R82 V86 | C81-G84 PolarHBondContact O-N 3.06Å; R82-G84 PolarHBondContact O-N 3.33Å; G84-V86 PolarHBondContact O-N 2.92Å |
| 85 | R | 91.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 38.3 Ų | 38.3 | 28% | 0.279 | 21% | 0.208 | S | C | . | . | trans | -68 | 131.4 | 174.7 | -177.6 | 168.3 | 56 | 159.1 | 5.5 | 109.4 | D45 C81 D83 I87 | D45-R85 IonicContact OD1-NH1 3.97Å; D45-R85 IonicContact OD2-CZ 3.95Å; D45-R85 IonicContact OD2-NH1 3.4Å; D45-R85 PolarHBondContact OD2-NH1 3.38Å; C81-R85 HydrophobicContact CB-CB 4.14Å; C81-R85 WeakPolarHBondContact CB-O 3.29Å; C81-R85 PolarHBondContact N-O 3.07Å; D83-R85 VanDerWaalsContact C-N 3.28Å; D83-R85 WeakPolarHBondContact OD1-CB 3.38Å; D83-R85 PolarHBondContact OD1-N 2.76Å; D83-R85 IonicContact OD2-CZ 2.86Å; D83-R85 IonicContact OD2-NE 2.68Å; D83-R85 PolarHBondContact OD2-NE 3.46Å; R85-I87 HydrophobicContact CG-CG1 4.18Å | ||
| 86 | V | 92.6 | Very high | 93.7 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.1 | 174.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | Q78 I79 V80 G84 | Q78-V86 HydrophobicContact CB-CG1 3.94Å; Q78-V86 HydrophobicContact CG-CG1 3.95Å; I79-V86 WeakPolarHBondContact O-CA 3.42Å; V80-V86 HydrophobicContact CG1-CG2 4.33Å; V80-V86 HydrophobicContact CG2-CG2 4.38Å; G84-V86 PolarHBondContact O-N 2.92Å |
| 87 | I | 93.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 106.1 | -178.5 | -56.6 | 176.3 | 0 | 0 | 0 | 107.8 | R11 I47 Q78 I79 R85 L89 | R11-I87 HydrophobicContact CG-CG2 4.18Å; I47-I87 HydrophobicContact CD1-CD1 3.07Å; I47-I87 HydrophobicContact CG1-CD1 4.18Å; Q78-I87 VanDerWaalsContact CA-O 3.3Å; Q78-I87 WeakPolarHBondContact CA-O 3.47Å; I79-I87 HydrophobicContact CB-CB 4.4Å; I79-I87 PolarHBondContact N-O 3.19Å; I79-I87 PolarHBondContact O-N 2.77Å; R85-I87 HydrophobicContact CG-CG1 4.18Å; I87-L89 HydrophobicContact CG2-CD1 4.48Å; I87-L89 HydrophobicContact CG2-CD2 3.95Å; I87-L89 HydrophobicContact CG2-CG 4.08Å |
| 88 | S | 94.3 | Very high | 93.7 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.07 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.4 | 175.9 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | Q12 L65 Q78 | Q12-S88 PolarHBondContact N-O 2.78Å; Q12-S88 PolarHBondContact OE1-OG 2.81Å; L65-S88 WeakPolarHBondContact CD1-OG 3.13Å; Q78-S88 PolarHBondContact NE2-OG 2.88Å; Q78-S88 VanDerWaalsContact NE2-OG 3.12Å |
| 89 | L | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.1 | -178 | -61 | 173.1 | 0 | 0 | 0 | 110 | L9 H10 R11 F24 L76 F77 I79 I87 | L9-L89 HydrophobicContact CD1-CD1 4.34Å; H10-L89 CarbonylContact O-C 3.42Å; H10-L89 VanDerWaalsContact O-CA 3.24Å; H10-L89 WeakPolarHBondContact O-CA 3.39Å; R11-L89 HydrophobicContact CB-CD2 3.97Å; R11-L89 HydrophobicContact CG-CD2 3.92Å; F24-L89 HydrophobicContact CE1-CD1 4.34Å; F24-L89 HydrophobicContact CE1-CD2 3.9Å; F24-L89 HydrophobicContact CE2-CD2 4.18Å; F24-L89 HydrophobicContact CZ-CD2 3.41Å; F24-L89 VanDerWaalsContact CZ-CD2 3.41Å; L76-L89 WeakPolarHBondContact CA-O 3.15Å; F77-L89 HydrophobicContact CD1-CB 4.23Å; F77-L89 HydrophobicContact CD2-CB 4.2Å; F77-L89 HydrophobicContact CD2-CD1 4.28Å; F77-L89 HydrophobicContact CE1-CB 3.82Å; F77-L89 HydrophobicContact CE2-CB 3.8Å; F77-L89 HydrophobicContact CE2-CD1 3.46Å; F77-L89 VanDerWaalsContact CE2-CD1 3.46Å; F77-L89 HydrophobicContact CE2-CG 4.24Å; F77-L89 HydrophobicContact CG-CB 4.4Å; F77-L89 HydrophobicContact CZ-CB 3.6Å; F77-L89 HydrophobicContact CZ-CD1 3.76Å; F77-L89 HydrophobicContact CZ-CG 4.33Å; F77-L89 PolarHBondContact N-O 3.07Å; F77-L89 PolarHBondContact O-N 3.4Å; I79-L89 HydrophobicContact CD1-CD1 3.71Å; I79-L89 HydrophobicContact CG1-CD1 4.13Å; I87-L89 HydrophobicContact CG2-CD1 4.48Å; I87-L89 HydrophobicContact CG2-CD2 3.95Å; I87-L89 HydrophobicContact CG2-CG 4.08Å |
| 90 | C | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.8 | 171.4 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | H10 W19 P68 A75 L76 | H10-C90 HydrophobicContact CB-CB 4.11Å; H10-C90 PolarHBondContact N-O 2.75Å; H10-C90 PolarHBondContact O-N 3.39Å; W19-C90 HydrophobicContact CE3-CB 4.27Å; W19-C90 HydrophobicContact CH2-CB 4.09Å; W19-C90 HydrophobicContact CZ3-CB 3.79Å; P68-C90 HydrophobicContact CG-CB 3.93Å; A75-C90 WeakPolarHBondContact O-CA 3.37Å; L76-C90 HydrophobicContact CD2-CB 3.61Å |
| 91 | A | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -81.3 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L9 A75 F77 D96 A97 | L9-A91 HydrophobicContact CD2-CB 3.71Å; A75-A91 PolarHBondContact O-N 3.4Å; F77-A91 HydrophobicContact CE1-CB 4.32Å; A91-D96 HydrophobicContact CB-CB 3.75Å; A91-A97 HydrophobicContact CB-CB 3.82Å | ||
| 92 | D | 92.6 | Very high | 93.8 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -75.3 | -27.8 | 178.3 | -82.7 | -36.4 | 0 | 0 | 0 | 113 | H10 R21 K71 | H10-D92 IonicContact CE1-OD1 3.97Å; R21-D92 IonicContact NH2-OD2 3.14Å; K71-D92 WeakPolarHBondContact CE-OD1 3.16Å; K71-D92 PolarHBondContact NZ-O 2.87Å; K71-D92 IonicContact NZ-OD1 2.75Å; K71-D92 PolarHBondContact NZ-OD1 2.79Å |
| 93 | S | 92.8 | Very high | 93.9 | Very high | 42 Ų | 42 | 45.9 Ų | 45.9 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -143.5 | 166.9 | 179.4 | 68.4 | 0 | 0 | 0 | 0 | 111.6 | D95 D96 A97 | S93-D95 VanDerWaalsContact C-N 3.33Å; S93-D96 PolarHBondContact O-N 2.96Å; S93-D96 WeakPolarHBondContact OG-CB 3.21Å; S93-D96 PolarHBondContact OG-N 2.92Å; S93-D96 PolarHBondContact OG-OD2 2.91Å; S93-A97 PolarHBondContact O-N 2.89Å; S93-A97 VanDerWaalsContact O-N 3.07Å |
| 94 | A | 93.1 | Very high | 94.1 | Very high | 28 Ų | 28 | 40.9 Ų | 40.9 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | D74 A97 L98 | D74-A94 HydrophobicContact CB-CB 3.93Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 2.84Å; A94-L98 WeakPolarHBondContact O-CG 3.5Å; A94-L98 PolarHBondContact O-N 2.87Å |
| 95 | D | 94.9 | Very high | 94.3 | Very high | 122 Ų | 122 | 40.7 Ų | 40.7 | 65% | 0.652 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.7 | -40.5 | 179.1 | -62.9 | -35.7 | 0 | 0 | 0 | 111.5 | S93 A97 L98 A99 | S93-D95 VanDerWaalsContact C-N 3.33Å; D95-A97 VanDerWaalsContact C-N 3.34Å; D95-A97 PolarHBondContact O-N 3.5Å; D95-L98 PolarHBondContact O-N 3.03Å; D95-A99 WeakPolarHBondContact O-CB 3.44Å; D95-A99 PolarHBondContact O-N 2.79Å |
| 96 | D | 94.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 41.2 Ų | 41.2 | 35% | 0.353 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.3 | -41.9 | 173.9 | -72.8 | -45.7 | 0 | 0 | 0 | 111.5 | A91 S93 L98 A99 W100 | A91-D96 HydrophobicContact CB-CB 3.75Å; S93-D96 PolarHBondContact O-N 2.96Å; S93-D96 WeakPolarHBondContact OG-CB 3.21Å; S93-D96 PolarHBondContact OG-N 2.92Å; S93-D96 PolarHBondContact OG-OD2 2.91Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 2.83Å; D96-A99 PolarHBondContact O-N 2.94Å; D96-W100 WeakPolarHBondContact O-CB 3.18Å; D96-W100 PolarHBondContact O-N 3.5Å |
| 97 | A | 94.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A75 F77 A91 S93 A94 D95 T101 | A75-A97 WeakPolarHBondContact O-CB 3.44Å; F77-A97 HydrophobicContact CD1-CB 3.92Å; F77-A97 HydrophobicContact CE1-CB 4.29Å; A91-A97 HydrophobicContact CB-CB 3.82Å; S93-A97 PolarHBondContact O-N 2.89Å; S93-A97 VanDerWaalsContact O-N 3.07Å; A94-A97 WeakPolarHBondContact O-CB 3.5Å; A94-A97 PolarHBondContact O-N 2.84Å; D95-A97 VanDerWaalsContact C-N 3.34Å; D95-A97 PolarHBondContact O-N 3.5Å; A97-T101 VanDerWaalsContact O-CB 3.32Å; A97-T101 WeakPolarHBondContact O-CB 3.38Å; A97-T101 PolarHBondContact O-N 2.84Å; A97-T101 PolarHBondContact O-OG1 3.14Å |
| 98 | L | 94.4 | Very high | 94.2 | Very high | 99 Ų | 99 | 41.3 Ų | 41.3 | 52% | 0.518 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.2 | -46.9 | 174 | -71.7 | 174.9 | 0 | 0 | 0 | 111.5 | A94 D95 D96 W100 T101 M102 | A94-L98 WeakPolarHBondContact O-CG 3.5Å; A94-L98 PolarHBondContact O-N 2.87Å; D95-L98 PolarHBondContact O-N 3.03Å; D96-L98 VanDerWaalsContact C-N 3.3Å; D96-L98 PolarHBondContact O-N 2.83Å; L98-W100 VanDerWaalsContact C-N 3.33Å; L98-W100 PolarHBondContact O-N 2.86Å; L98-T101 PolarHBondContact O-N 3.35Å; L98-T101 VanDerWaalsContact O-N 3.15Å; L98-M102 WeakPolarHBondContact O-CG 3.3Å; L98-M102 PolarHBondContact O-N 3.12Å |
| 99 | A | 95.9 | Very high | 93.8 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 31% | 0.314 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D95 D96 A103 | D95-A99 WeakPolarHBondContact O-CB 3.44Å; D95-A99 PolarHBondContact O-N 2.79Å; D96-A99 PolarHBondContact O-N 2.94Å; A99-A103 WeakPolarHBondContact O-CB 3.22Å; A99-A103 PolarHBondContact O-N 3.36Å |
| 100 | W | 96.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 172.8 | -84 | 108.3 | 0 | 0 | 0 | 111.9 | K5 L9 F24 L26 L32 F77 D96 L98 M102 A103 L104 | K5-W100 HydrophobicContact CB-CH2 4.32Å; K5-W100 HydrophobicContact CB-CZ3 4.24Å; K5-W100 HydrophobicContact CD-CD2 3.75Å; K5-W100 HydrophobicContact CD-CE3 3.77Å; K5-W100 HydrophobicContact CD-CG 4.34Å; K5-W100 HydrophobicContact CD-CH2 4.17Å; K5-W100 HydrophobicContact CD-CZ2 4.15Å; K5-W100 HydrophobicContact CD-CZ3 3.98Å; K5-W100 HydrophobicContact CG-CD2 4.48Å; K5-W100 HydrophobicContact CG-CE3 4.33Å; K5-W100 HydrophobicContact CG-CH2 3.86Å; K5-W100 HydrophobicContact CG-CZ2 4.01Å; K5-W100 HydrophobicContact CG-CZ3 4.03Å; L9-W100 HydrophobicContact CD1-CD2 3.93Å; L9-W100 HydrophobicContact CD1-CE3 4.35Å; L9-W100 HydrophobicContact CD1-CG 4.2Å; L9-W100 HydrophobicContact CD1-CZ2 4.31Å; L9-W100 HydrophobicContact CD2-CG 4.25Å; L9-W100 HydrophobicContact CG-CZ2 4.44Å; F24-W100 HydrophobicContact CB-CH2 3.83Å; F24-W100 HydrophobicContact CB-CZ2 4.35Å; F24-W100 HydrophobicContact CB-CZ3 4.35Å; L26-W100 HydrophobicContact CB-CZ3 4.27Å; L32-W100 HydrophobicContact CD1-CZ3 4.38Å; F77-W100 HydrophobicContact CE1-CB 4.35Å; F77-W100 HydrophobicContact CE2-CB 4.41Å; F77-W100 HydrophobicContact CZ-CB 3.85Å; F77-W100 HydrophobicContact CZ-CG 4.41Å; D96-W100 WeakPolarHBondContact O-CB 3.18Å; D96-W100 PolarHBondContact O-N 3.5Å; L98-W100 VanDerWaalsContact C-N 3.33Å; L98-W100 PolarHBondContact O-N 2.86Å; W100-M102 VanDerWaalsContact C-N 3.33Å; W100-M102 PolarHBondContact O-N 3.4Å; W100-A103 PolarHBondContact O-N 3.38Å; W100-L104 WeakPolarHBondContact O-CB 3.46Å; W100-L104 WeakPolarHBondContact O-CD1 3.49Å; W100-L104 WeakPolarHBondContact O-CG 3.43Å; W100-L104 PolarHBondContact O-N 3.28Å |
| 101 | T | 95.3 | Very high | 91 | Very high | 25 Ų | 25 | 53.8 Ų | 53.8 | 15% | 0.153 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 178 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | I56 A97 L98 L104 Q105 | I56-T101 HydrophobicContact CG2-CG2 3.94Å; A97-T101 VanDerWaalsContact O-CB 3.32Å; A97-T101 WeakPolarHBondContact O-CB 3.38Å; A97-T101 PolarHBondContact O-N 2.84Å; A97-T101 PolarHBondContact O-OG1 3.14Å; L98-T101 PolarHBondContact O-N 3.35Å; L98-T101 VanDerWaalsContact O-N 3.15Å; T101-L104 PolarHBondContact O-N 2.9Å; T101-Q105 HydrophobicContact CG2-CG 4.23Å; T101-Q105 WeakPolarHBondContact O-CB 3.04Å; T101-Q105 WeakPolarHBondContact O-CG 3.46Å; T101-Q105 PolarHBondContact O-N 3.27Å |
| 102 | M | 94.5 | Very high | 89.1 | Confident | 134 Ų | 134 | 58.3 Ų | 58.3 | 66% | 0.66 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.6 | -47.3 | 176.8 | -71.2 | 177.6 | 179.6 | 0 | 0 | 111.9 | L98 W100 L104 Q105 D106 | L98-M102 WeakPolarHBondContact O-CG 3.3Å; L98-M102 PolarHBondContact O-N 3.12Å; W100-M102 VanDerWaalsContact C-N 3.33Å; W100-M102 PolarHBondContact O-N 3.4Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 2.6Å; M102-Q105 PolarHBondContact O-N 2.61Å; M102-D106 PolarHBondContact O-N 2.93Å |
| 103 | A | 94.7 | Very high | 86.9 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K5 L26 A99 W100 D106 A107 | K5-A103 HydrophobicContact CD-CB 4.13Å; L26-A103 HydrophobicContact CD2-CB 3.81Å; A99-A103 WeakPolarHBondContact O-CB 3.22Å; A99-A103 PolarHBondContact O-N 3.36Å; W100-A103 PolarHBondContact O-N 3.38Å; A103-D106 PolarHBondContact O-N 3.2Å; A103-A107 WeakPolarHBondContact O-CB 3.34Å; A103-A107 PolarHBondContact O-N 2.83Å |
| 104 | L | 95.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.4 | -37.1 | 177.7 | -70 | 171.5 | 0 | 0 | 0 | 112.5 | L26 L32 M49 I56 F77 I79 W100 T101 M102 R108 | L26-L104 HydrophobicContact CD1-CD2 4.15Å; L26-L104 HydrophobicContact CD2-CD2 4.35Å; L32-L104 HydrophobicContact CD1-CD2 4.02Å; L32-L104 HydrophobicContact CD2-CD2 3.78Å; L32-L104 HydrophobicContact CG-CD2 4.33Å; M49-L104 HydrophobicContact CE-CB 3.74Å; M49-L104 HydrophobicContact CE-CD2 3.64Å; M49-L104 HydrophobicContact CE-CG 4.2Å; M49-L104 HydrophobicContact CG-CD2 4.2Å; M49-L104 HydrophobicContact SD-CD2 3.79Å; I56-L104 HydrophobicContact CD1-CB 3.54Å; F77-L104 HydrophobicContact CE2-CD1 3.79Å; I79-L104 HydrophobicContact CD1-CD1 3.84Å; I79-L104 HydrophobicContact CD1-CD2 4.48Å; I79-L104 HydrophobicContact CG1-CD1 4.29Å; W100-L104 WeakPolarHBondContact O-CB 3.46Å; W100-L104 WeakPolarHBondContact O-CD1 3.49Å; W100-L104 WeakPolarHBondContact O-CG 3.43Å; W100-L104 PolarHBondContact O-N 3.28Å; T101-L104 PolarHBondContact O-N 2.9Å; M102-L104 VanDerWaalsContact C-N 3.32Å; M102-L104 PolarHBondContact O-N 2.6Å; L104-R108 PolarHBondContact O-N 2.73Å |
| 105 | Q | 94.6 | Very high | 81.9 | Confident | 55 Ų | 55 | 63.9 Ų | 63.9 | 26% | 0.257 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 172.1 | -73.9 | -79.8 | -12.2 | 0 | 0 | 110.3 | I56 T101 M102 R108 I109 | I56-Q105 HydrophobicContact CD1-CB 4.5Å; I56-Q105 HydrophobicContact CD1-CG 3.89Å; T101-Q105 HydrophobicContact CG2-CG 4.23Å; T101-Q105 WeakPolarHBondContact O-CB 3.04Å; T101-Q105 WeakPolarHBondContact O-CG 3.46Å; T101-Q105 PolarHBondContact O-N 3.27Å; M102-Q105 PolarHBondContact O-N 2.61Å; Q105-R108 WeakPolarHBondContact O-CB 2.96Å; Q105-R108 PolarHBondContact O-N 3.47Å; Q105-I109 PolarHBondContact O-N 2.96Å |
| 106 | D | 92.8 | Very high | 79.4 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.5 | -55.8 | 175.2 | -173.2 | 58.3 | 0 | 0 | 0 | 110.1 | M102 A103 R108 I109 N110 | M102-D106 PolarHBondContact O-N 2.93Å; A103-D106 PolarHBondContact O-N 3.2Å; D106-R108 PolarHBondContact O-N 2.77Å; D106-I109 PolarHBondContact O-N 3.36Å; D106-N110 WeakPolarHBondContact O-CB 3.47Å; D106-N110 PolarHBondContact O-N 2.86Å; D106-N110 PolarHBondContact OD2-ND2 2.89Å |
| 107 | A | 92.3 | Very high | 76.8 | Confident | 9 Ų | 9 | 68 Ų | 68 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.3 | -23.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L26 M49 A103 | L26-A107 HydrophobicContact CD1-CB 3.8Å; L26-A107 HydrophobicContact CD2-CB 4.11Å; L26-A107 HydrophobicContact CG-CB 4.37Å; M49-A107 HydrophobicContact CB-CB 4.15Å; M49-A107 HydrophobicContact CG-CB 4.26Å; A103-A107 WeakPolarHBondContact O-CB 3.34Å; A103-A107 PolarHBondContact O-N 2.83Å |
| 108 | R | 90.9 | Very high | 74.8 | Confident | 58 Ų | 58 | 76.3 Ų | 76.3 | 22% | 0.219 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -73 | -40.5 | 172.8 | -169.6 | -174.3 | 70.7 | -114.8 | -3.4 | 112.1 | R50 C53 L104 Q105 D106 | R50-R108 WeakPolarHBondContact CG-O 3.44Å; C53-R108 VanDerWaalsContact O-CD 3.31Å; C53-R108 WeakPolarHBondContact O-CD 3.04Å; L104-R108 PolarHBondContact O-N 2.73Å; Q105-R108 WeakPolarHBondContact O-CB 2.96Å; Q105-R108 PolarHBondContact O-N 3.47Å; D106-R108 PolarHBondContact O-N 2.77Å |
| 109 | I | 85.8 | Confident | 72.3 | Confident | 115 Ų | 115 | 73.7 Ų | 73.7 | 59% | 0.59 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -94.5 | -29.1 | -173.1 | -56.1 | 168.5 | 0 | 0 | 0 | 111.4 | Q105 D106 T111 | Q105-I109 PolarHBondContact O-N 2.96Å; D106-I109 PolarHBondContact O-N 3.36Å; I109-T111 VanDerWaalsContact C-N 3.3Å; I109-T111 PolarHBondContact O-N 3.14Å |
| 110 | N | 72.4 | Confident | 70.1 | Confident | 80 Ų | 80 | 82.7 Ų | 82.7 | 43% | 0.428 | 47% | 0.465 | S | S | . | . | trans | -66.1 | 90.7 | -176 | -146.7 | -14.2 | 0 | 0 | 0 | 107.8 | R50 D106 | R50-N110 VanDerWaalsContact CZ-O 3.3Å; R50-N110 PolarHBondContact NE-O 3.27Å; R50-N110 PolarHBondContact NH2-O 2.86Å; D106-N110 WeakPolarHBondContact O-CB 3.47Å; D106-N110 PolarHBondContact O-N 2.86Å; D106-N110 PolarHBondContact OD2-ND2 2.89Å | ||
| 111 | T | 58.5 | Low | 67.3 | Low | 77 Ų | 77 | 86.4 Ų | 86.4 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | trans | -58 | 129.5 | 156 | 43.4 | 0 | 0 | 0 | 0 | 105.9 | R50 I109 V113 | R50-T111 VanDerWaalsContact CZ-CA 3.43Å; R50-T111 VanDerWaalsContact NH2-CA 3.31Å; I109-T111 VanDerWaalsContact C-N 3.3Å; I109-T111 PolarHBondContact O-N 3.14Å; T111-V113 PolarHBondContact O-N 2.68Å | ||
| 112 | V | 54.3 | Low | 64.8 | Low | 96 Ų | 96 | 93.6 Ų | 93.6 | 58% | 0.582 | 53% | 0.529 | S | S | * | . | trans | -63.6 | 75.2 | 164.8 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | A114 | V112-A114 VanDerWaalsContact C-N 3.3Å; V112-A114 PolarHBondContact O-N 3.2Å | ||
| 113 | V | 46 | Very low | 62.4 | Low | 111 Ų | 111 | 96.1 Ų | 96.1 | 67% | 0.673 | 54% | 0.539 | S | S | * | . | trans | -68.4 | 107.2 | 142.1 | -179.2 | 0 | 0 | 0 | 0 | 100.3 | T111 A115 | T111-V113 PolarHBondContact O-N 2.68Å; V113-A115 PolarHBondContact O-N 2.75Å | ||
| 114 | A | 40.2 | Very low | 60.3 | Low | 68 Ų | 68 | 101.6 Ų | 101.6 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | trans | -44.2 | 114.7 | 167 | 0 | 0 | 0 | 0 | 0 | 106.1 | V112 P116 | V112-A114 VanDerWaalsContact C-N 3.3Å; V112-A114 PolarHBondContact O-N 3.2Å; A114-P116 WeakPolarHBondContact O-CD 3.4Å | ||
| 115 | A | 41.3 | Very low | 58.2 | Low | 72 Ų | 72 | 107.2 Ų | 107.2 | 60% | 0.595 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 122.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 104.3 | V113 Q117 | V113-A115 PolarHBondContact O-N 2.75Å; A115-Q117 PolarHBondContact O-N 3.07Å |
| 116 | P | 42.6 | Very low | 55.8 | Low | 112 Ų | 112 | 108.9 Ų | 108.9 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -57 | 117.4 | 172.2 | 24.3 | -28.6 | 0 | 0 | 0 | 103.7 | A114 I118 | A114-P116 WeakPolarHBondContact O-CD 3.4Å; P116-I118 PolarHBondContact O-N 3.05Å |
| 117 | Q | 41.1 | Very low | 53.9 | Low | 164 Ų | 164 | 109.9 Ų | 109.9 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 117.3 | 179.3 | -49 | -65.6 | -19.4 | 0 | 0 | 104.7 | A115 G119 | A115-Q117 PolarHBondContact O-N 3.07Å; Q117-G119 PolarHBondContact O-N 2.95Å |
| 118 | I | 52 | Low | 51.9 | Low | 179 Ų | 179 | 113.4 Ų | 113.4 | 92% | 0.918 | 67% | 0.671 | S | S | * | * | trans | -72.2 | 69.9 | 163.9 | -57.6 | 167.1 | 0 | 0 | 0 | 104.4 | P116 | P116-I118 PolarHBondContact O-N 3.05Š| ||
| 119 | G | 41.4 | Very low | 50.1 | Low | 44 Ų | 44 | 116.1 Ų | 116.1 | 45% | 0.454 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -118.2 | 124.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 104.2 | Q117 A121 | Q117-G119 PolarHBondContact O-N 2.95Å; G119-A121 VanDerWaalsContact C-N 3.28Å; G119-A121 PolarHBondContact O-N 3.03Å |
| 120 | F | 49.4 | Very low | 48.6 | Very low | 227 Ų | 227 | 116 Ų | 116 | 100% | 0.996 | 70% | 0.702 | S | S | * | * | trans | -47.1 | 91.4 | 175.8 | -64.2 | -92.8 | 0 | 0 | 0 | 110.6 | ||||
| 121 | A | 37.9 | Very low | 47.4 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 72% | 0.719 | 72% | 0.715 | S | S | * | * | trans | -125.7 | 115.6 | 174 | 0 | 0 | 0 | 0 | 0 | 105.3 | G119 | G119-A121 VanDerWaalsContact C-N 3.28Å; G119-A121 PolarHBondContact O-N 3.03Å | ||
| 122 | Q | 43.2 | Very low | 46.9 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -2 | 122.8 | 163.6 | -155.6 | 94.8 | -8.3 | 0 | 0 | 113.8 | V124 | Q122-V124 VanDerWaalsContact C-N 3.3Å; Q122-V124 PolarHBondContact O-N 3.49Å | ||
| 123 | E | 44.2 | Very low | 46.6 | Very low | 187 Ų | 187 | 123.3 Ų | 123.3 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -45.1 | 95.4 | 166.8 | -81.2 | 173.5 | 140.6 | 0 | 0 | 110.1 | V125 | E123-V125 PolarHBondContact O-N 3.36Š| ||
| 124 | V | 50.6 | Low | 46.3 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | -75.5 | 90 | 161.3 | 178.8 | 0 | 0 | 0 | 0 | 103.4 | Q122 A126 | Q122-V124 VanDerWaalsContact C-N 3.3Å; Q122-V124 PolarHBondContact O-N 3.49Å; V124-A126 PolarHBondContact O-N 2.86Å | ||
| 125 | V | 51 | Low | 46.3 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | -48.2 | 110 | 163.3 | 170.1 | 0 | 0 | 0 | 0 | 105.8 | E123 S127 | E123-V125 PolarHBondContact O-N 3.36Å; V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.19Å | ||
| 126 | A | 43.2 | Very low | 46.4 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | -59.1 | 103 | 168.4 | 0 | 0 | 0 | 0 | 0 | 105.6 | V124 A128 | V124-A126 PolarHBondContact O-N 2.86Å; A126-A128 PolarHBondContact O-N 3.31Å | ||
| 127 | S | 53.4 | Low | 46.6 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -57.5 | 117.6 | 169.2 | 57.3 | 0 | 0 | 0 | 0 | 106 | V125 | V125-S127 VanDerWaalsContact C-N 3.31Å; V125-S127 PolarHBondContact O-N 3.19Å | ||
| 128 | A | 51.3 | Low | 46.5 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 69% | 0.686 | 76% | 0.763 | S | S | * | * | trans | -45.3 | 138.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | A126 | A126-A128 PolarHBondContact O-N 3.31Š| ||
| 129 | P | 51.6 | Low | 46.2 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 138.8 | 174.1 | 21.4 | -31.2 | 0 | 0 | 0 | 108.4 | ||
| 130 | P | 54.6 | Low | 46.4 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 136.3 | 178.9 | 20.9 | -31.4 | 0 | 0 | 0 | 108.3 | Y132 | P130-Y132 PolarHBondContact O-N 3.15Š|
| 131 | P | 47.9 | Very low | 46.4 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 123.5 | -177.8 | 21.3 | -31.2 | 0 | 0 | 0 | 108.3 | S133 | P131-S133 PolarHBondContact O-N 3Š|
| 132 | Y | 46.8 | Very low | 47 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -75.2 | 56.4 | 176.9 | -147.3 | -87.1 | 0 | 0 | 0 | 109.1 | P130 Y135 | P130-Y132 PolarHBondContact O-N 3.15Å; Y132-Y135 AromaticContact CD1-CD2 3.91Å; Y132-Y135 HydrophobicContact CD1-CD2 3.91Å; Y132-Y135 HydrophobicContact CD1-CE2 4.33Å; Y132-Y135 AromaticContact CE1-CD2 3.35Å; Y132-Y135 HydrophobicContact CE1-CD2 3.35Å; Y132-Y135 AromaticContact CE1-CE2 3.52Å; Y132-Y135 HydrophobicContact CE1-CE2 3.52Å; Y132-Y135 HydrophobicContact CE1-CG 4.47Å; Y132-Y135 HydrophobicContact CE2-CE2 4.37Å; Y132-Y135 AromaticContact CZ-CD2 3.92Å; Y132-Y135 AromaticContact CZ-CE2 3.55Å; Y132-Y135 WeakPolarHBondContact OH-CE2 3.41Å |
| 133 | S | 49.7 | Very low | 47 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | trans | -110.3 | 2 | -176.5 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | P131 | P131-S133 PolarHBondContact O-N 3Š| ||
| 134 | E | 39.9 | Very low | 47.2 | Very low | 184 Ų | 184 | 118.4 Ų | 118.4 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | trans | -103.4 | 36.5 | -179.7 | -150.1 | 174.1 | -167.3 | 0 | 0 | 112.6 | ||||
| 135 | Y | 40.1 | Very low | 47.3 | Very low | 164 Ų | 164 | 118.6 Ų | 118.6 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -111.8 | 110.9 | 155 | -75.1 | -81.5 | 0 | 0 | 0 | 107.4 | Y132 Q137 | Y132-Y135 AromaticContact CD1-CD2 3.91Å; Y132-Y135 HydrophobicContact CD1-CD2 3.91Å; Y132-Y135 HydrophobicContact CD1-CE2 4.33Å; Y132-Y135 AromaticContact CE1-CD2 3.35Å; Y132-Y135 HydrophobicContact CE1-CD2 3.35Å; Y132-Y135 AromaticContact CE1-CE2 3.52Å; Y132-Y135 HydrophobicContact CE1-CE2 3.52Å; Y132-Y135 HydrophobicContact CE1-CG 4.47Å; Y132-Y135 HydrophobicContact CE2-CE2 4.37Å; Y132-Y135 AromaticContact CZ-CD2 3.92Å; Y132-Y135 AromaticContact CZ-CE2 3.55Å; Y132-Y135 WeakPolarHBondContact OH-CE2 3.41Å; Y135-Q137 PolarHBondContact O-N 2.74Å |
| 136 | A | 43.5 | Very low | 47.2 | Very low | 102 Ų | 102 | 124 Ų | 124 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -49.1 | 109.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 137 | Q | 45.5 | Very low | 47.7 | Very low | 171 Ų | 171 | 122.5 Ų | 122.5 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | trans | -60.3 | 132.8 | 173.2 | -64.8 | -173.1 | -25.9 | 0 | 0 | 107.6 | Y135 Q139 | Y135-Q137 PolarHBondContact O-N 2.74Å; Q137-Q139 PolarHBondContact O-N 3.25Å; Q137-Q139 VanDerWaalsContact O-N 3.13Å | ||
| 138 | P | 39.8 | Very low | 47.5 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -59.8 | 122 | 169.6 | 23.2 | -29.6 | 0 | 0 | 0 | 107.9 | V140 | P138-V140 PolarHBondContact O-N 3.37Š| ||
| 139 | Q | 45.4 | Very low | 47 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -62.1 | 100.9 | 177.5 | -68.4 | -179.9 | -53.1 | 0 | 0 | 108.8 | Q137 Y141 | Q137-Q139 PolarHBondContact O-N 3.25Å; Q137-Q139 VanDerWaalsContact O-N 3.13Å; Q139-Y141 HydrophobicContact CB-CD2 4.39Å; Q139-Y141 HydrophobicContact CB-CE2 4.2Å; Q139-Y141 PolarHBondContact O-N 3.16Å | ||
| 140 | V | 45 | Very low | 46.9 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 75% | 0.745 | 69% | 0.688 | S | S | * | * | trans | -81.1 | 102.9 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | P138 | P138-V140 PolarHBondContact O-N 3.37Š| ||
| 141 | Y | 50.3 | Low | 46.5 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 47% | 0.467 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -77.5 | 124 | 171.5 | -84.7 | -86.2 | 0 | 0 | 0 | 110 | Q139 Y149 | Q139-Y141 HydrophobicContact CB-CD2 4.39Å; Q139-Y141 HydrophobicContact CB-CE2 4.2Å; Q139-Y141 PolarHBondContact O-N 3.16Å; Y141-Y149 HydrophobicContact CD1-CD1 4.38Å; Y141-Y149 HydrophobicContact CD1-CG 4.42Å; Y141-Y149 HydrophobicContact CG-CD1 4.41Å |
| 142 | A | 50.2 | Low | 46.5 | Very low | 62 Ų | 62 | 123.9 Ų | 123.9 | 51% | 0.512 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -96.4 | 142.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G144 | A142-G144 PolarHBondContact O-N 3.27Š|
| 143 | P | 42.8 | Very low | 46.4 | Very low | 107 Ų | 107 | 119.7 Ų | 119.7 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | B | Isolated β-bridge | trans | -72.2 | 128.1 | 178.6 | -2.3 | 15.5 | 0 | 0 | 0 | 111.2 | ||
| 144 | G | 48.6 | Very low | 46.4 | Very low | 19 Ų | 19 | 121.5 Ų | 121.5 | 20% | 0.196 | 68% | 0.682 | C | S | . | * | P | Polyproline II helix | trans | -73.8 | 160.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | A142 Y146 G147 D148 | A142-G144 PolarHBondContact O-N 3.27Å; G144-Y146 PolarHBondContact O-N 3.09Å; G144-G147 PolarHBondContact O-N 3.32Å; G144-G147 VanDerWaalsContact O-N 3.07Å; G144-D148 PolarHBondContact N-O 2.91Å |
| 145 | P | 52.4 | Low | 46.8 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -0.7 | -174.3 | 25 | -33.3 | 0 | 0 | 0 | 115.6 | ||
| 146 | Y | 50.2 | Low | 47 | Very low | 232 Ų | 232 | 118.1 Ų | 118.1 | 91% | 0.91 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | 15.5 | 173.9 | -92 | -87.9 | 0 | 0 | 0 | 113.8 | G144 | G144-Y146 PolarHBondContact O-N 3.09Š|
| 147 | G | 52.9 | Low | 47.3 | Very low | 59 Ų | 59 | 117.9 Ų | 117.9 | 61% | 0.608 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 90 | 5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | G144 | G144-G147 PolarHBondContact O-N 3.32Å; G144-G147 VanDerWaalsContact O-N 3.07Å |
| 148 | D | 49.2 | Very low | 47.5 | Very low | 129 Ų | 129 | 116.9 Ų | 116.9 | 69% | 0.69 | 67% | 0.666 | S | S | * | * | trans | -88.9 | 144.3 | 169.2 | -90.8 | -26.6 | 0 | 0 | 0 | 112.2 | G144 | G144-D148 PolarHBondContact N-O 2.91Š| ||
| 149 | Y | 41.2 | Very low | 48.1 | Very low | 160 Ų | 160 | 116.5 Ų | 116.5 | 63% | 0.627 | 66% | 0.656 | S | S | * | * | B | Isolated β-bridge | trans | -91.6 | 99.7 | 174.3 | -73.3 | -72 | 0 | 0 | 0 | 109.9 | Y141 | Y141-Y149 HydrophobicContact CD1-CD1 4.38Å; Y141-Y149 HydrophobicContact CD1-CG 4.42Å; Y141-Y149 HydrophobicContact CG-CD1 4.41Å |
| 150 | T | 48.6 | Very low | 48.5 | Very low | 92 Ų | 92 | 112.9 Ų | 112.9 | 56% | 0.564 | 64% | 0.641 | S | S | * | * | trans | -107.9 | 141.5 | 176.1 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 151 | A | 46.7 | Very low | 49 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -61 | 138.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 152 | P | 47.7 | Very low | 49.2 | Very low | 94 Ų | 94 | 111 Ų | 111 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 145.8 | 177.9 | 25 | -31.6 | 0 | 0 | 0 | 110.5 | V154 | P152-V154 PolarHBondContact O-N 2.87Š|
| 153 | P | 45.4 | Very low | 49.2 | Very low | 106 Ų | 106 | 111.8 Ų | 111.8 | 69% | 0.688 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132.2 | 175.8 | 25.4 | -31.9 | 0 | 0 | 0 | 109.6 | H155 | P153-H155 PolarHBondContact O-N 2.94Å; P153-H155 VanDerWaalsContact O-N 3.09Å |
| 154 | V | 48.3 | Very low | 50 | Low | 144 Ų | 144 | 112.3 Ų | 112.3 | 87% | 0.873 | 64% | 0.638 | S | S | * | * | trans | -64 | 111.1 | 177.9 | -152.8 | 0 | 0 | 0 | 0 | 107.6 | P152 | P152-V154 PolarHBondContact O-N 2.87Š| ||
| 155 | H | 49 | Very low | 50.2 | Low | 158 Ų | 158 | 113.6 Ų | 113.6 | 73% | 0.731 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.1 | 175.9 | -63.3 | -56.4 | 0 | 0 | 0 | 109.6 | P153 T157 | P153-H155 PolarHBondContact O-N 2.94Å; P153-H155 VanDerWaalsContact O-N 3.09Å; H155-T157 PolarHBondContact O-N 3.22Å |
| 156 | P | 44.5 | Very low | 50 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 77% | 0.766 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 125.8 | 178.7 | 25.5 | -31.7 | 0 | 0 | 0 | 109.8 | Q158 | P156-Q158 PolarHBondContact O-N 3.5Š|
| 157 | T | 50.4 | Low | 50 | Low | 97 Ų | 97 | 105.7 Ų | 105.7 | 60% | 0.595 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 121.4 | 168.3 | 11.1 | 0 | 0 | 0 | 0 | 109.1 | H155 I159 | H155-T157 PolarHBondContact O-N 3.22Å; T157-I159 PolarHBondContact O-N 3.45Å |
| 158 | Q | 48.3 | Very low | 50 | Low | 150 Ų | 150 | 107.6 Ų | 107.6 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.4 | 173 | -68.6 | -174.2 | 0.7 | 0 | 0 | 109.4 | P156 V170 | P156-Q158 PolarHBondContact O-N 3.5Å; Q158-V170 PolarHBondContact O-N 3.32Å |
| 159 | I | 52.7 | Low | 50.1 | Low | 105 Ų | 105 | 104.8 Ų | 104.8 | 54% | 0.538 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.4 | 177.4 | -56.2 | 174 | 0 | 0 | 0 | 107.5 | T157 Y161 P167 | T157-I159 PolarHBondContact O-N 3.45Å; I159-Y161 HydrophobicContact CG2-CE2 4.42Å; I159-P167 HydrophobicContact CG2-CB 3.62Å |
| 160 | M | 53.7 | Low | 50.5 | Low | 84 Ų | 84 | 99.1 Ų | 99.1 | 41% | 0.414 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.8 | 174.7 | -153.2 | -175.4 | -64.9 | 0 | 0 | 109.2 | Y168 V170 | M160-Y168 HydrophobicContact CB-CE1 4.18Å; M160-Y168 HydrophobicContact CB-CE2 4.12Å; M160-Y168 PolarHBondContact N-O 3.28Å; M160-Y168 VanDerWaalsContact O-CD1 3.27Å; M160-Y168 WeakPolarHBondContact O-CD1 3.45Å; M160-Y168 PolarHBondContact O-N 3.36Å; M160-Y168 PolarHBondContact SD-OH 3.13Å; M160-V170 HydrophobicContact CB-CG2 4.26Å; M160-V170 HydrophobicContact CE-CG2 4.16Å |
| 161 | Y | 56.4 | Low | 50.3 | Low | 155 Ų | 155 | 98.8 Ų | 98.8 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.7 | 178 | -65.4 | -91.1 | 0 | 0 | 0 | 109.4 | I159 P167 | I159-Y161 HydrophobicContact CG2-CE2 4.42Å; Y161-P167 HydrophobicContact CD1-CB 4.01Å; Y161-P167 HydrophobicContact CE1-CB 3.73Å; Y161-P167 HydrophobicContact CE1-CG 4.38Å |
| 162 | S | 54.8 | Low | 50.2 | Low | 48 Ų | 48 | 103.5 Ų | 103.5 | 34% | 0.336 | 59% | 0.593 | S | S | . | * | trans | -73.9 | 165.7 | 172.6 | -89.3 | 0 | 0 | 0 | 0 | 110.7 | D164 G165 Q166 Y168 | S162-D164 WeakPolarHBondContact CB-OD1 3.48Å; S162-D164 PolarHBondContact O-N 3.35Å; S162-G165 WeakPolarHBondContact O-CA 3.27Å; S162-G165 PolarHBondContact O-N 2.78Å; S162-Q166 PolarHBondContact N-O 2.93Å; S162-Y168 WeakPolarHBondContact OG-CE1 3.03Å | ||
| 163 | G | 48.7 | Very low | 50 | Low | 78 Ų | 78 | 104.4 Ų | 104.4 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -7.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 164 | D | 59.9 | Low | 49.5 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 4.2 | 171.2 | 58.5 | -16.1 | 0 | 0 | 0 | 113.1 | S162 Q166 | S162-D164 WeakPolarHBondContact CB-OD1 3.48Å; S162-D164 PolarHBondContact O-N 3.35Å; D164-Q166 VanDerWaalsContact C-N 3.32Å; D164-Q166 PolarHBondContact O-N 3.07Å |
| 165 | G | 54 | Low | 49.1 | Very low | 47 Ų | 47 | 111.8 Ų | 111.8 | 49% | 0.485 | 61% | 0.607 | S | S | . | * | S | Bend | trans | 80 | 5.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S162 | S162-G165 WeakPolarHBondContact O-CA 3.27Å; S162-G165 PolarHBondContact O-N 2.78Å |
| 166 | Q | 47.9 | Very low | 48.1 | Very low | 127 Ų | 127 | 114.7 Ų | 114.7 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | trans | -80.4 | 128.1 | 178.3 | -69.9 | -63.9 | -53.9 | 0 | 0 | 111.1 | S162 D164 | S162-Q166 PolarHBondContact N-O 2.93Å; D164-Q166 VanDerWaalsContact C-N 3.32Å; D164-Q166 PolarHBondContact O-N 3.07Å | ||
| 167 | P | 49.5 | Very low | 47.9 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 48% | 0.481 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.4 | 132.9 | 175.4 | 28.8 | -31.2 | 0 | 0 | 0 | 110.9 | I159 Y161 | I159-P167 HydrophobicContact CG2-CB 3.62Å; Y161-P167 HydrophobicContact CD1-CB 4.01Å; Y161-P167 HydrophobicContact CE1-CB 3.73Å; Y161-P167 HydrophobicContact CE1-CG 4.38Å |
| 168 | Y | 52.3 | Low | 46.9 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 39% | 0.388 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.1 | 138.7 | 168.9 | 64.2 | -81.5 | 0 | 0 | 0 | 110.7 | M160 S162 V170 | M160-Y168 HydrophobicContact CB-CE1 4.18Å; M160-Y168 HydrophobicContact CB-CE2 4.12Å; M160-Y168 PolarHBondContact N-O 3.28Å; M160-Y168 VanDerWaalsContact O-CD1 3.27Å; M160-Y168 WeakPolarHBondContact O-CD1 3.45Å; M160-Y168 PolarHBondContact O-N 3.36Å; M160-Y168 PolarHBondContact SD-OH 3.13Å; S162-Y168 WeakPolarHBondContact OG-CE1 3.03Å; Y168-V170 HydrophobicContact CD2-CG2 3.68Å; Y168-V170 HydrophobicContact CE2-CG2 3.47Å; Y168-V170 VanDerWaalsContact CE2-CG2 3.47Å |
| 169 | A | 51.6 | Low | 46.3 | Very low | 70 Ų | 70 | 113.1 Ų | 113.1 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 127.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 170 | V | 49.9 | Very low | 45.2 | Very low | 41 Ų | 41 | 119 Ų | 119 | 25% | 0.248 | 64% | 0.641 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.8 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | Q158 M160 Y168 Y172 | Q158-V170 PolarHBondContact O-N 3.32Å; M160-V170 HydrophobicContact CB-CG2 4.26Å; M160-V170 HydrophobicContact CE-CG2 4.16Å; Y168-V170 HydrophobicContact CD2-CG2 3.68Å; Y168-V170 HydrophobicContact CE2-CG2 3.47Å; Y168-V170 VanDerWaalsContact CE2-CG2 3.47Å; V170-Y172 HydrophobicContact CG1-CD2 4.15Å; V170-Y172 HydrophobicContact CG1-CE2 3.97Å |
| 171 | A | 45.7 | Very low | 44.4 | Very low | 85 Ų | 85 | 122.2 Ų | 122.2 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | trans | -96.3 | 109.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P173 | A171-P173 WeakPolarHBondContact O-CD 2.85Š| ||
| 172 | Y | 43.2 | Very low | 43.3 | Very low | 177 Ų | 177 | 119 Ų | 119 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | trans | -76 | 126.4 | 171.8 | -80.2 | -81.9 | 0 | 0 | 0 | 110 | V170 | V170-Y172 HydrophobicContact CG1-CD2 4.15Å; V170-Y172 HydrophobicContact CG1-CE2 3.97Å | ||
| 173 | P | 43.5 | Very low | 42.5 | Very low | 112 Ų | 112 | 122 Ų | 122 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -93.7 | 112.4 | 164 | 32.2 | -20.8 | 0 | 0 | 0 | 107.5 | A171 | A171-P173 WeakPolarHBondContact O-CD 2.85Š|
| 174 | Y | 35.8 | Very low | 42.1 | Very low | 209 Ų | 209 | 128 Ų | 128 | 82% | 0.82 | 70% | 0.696 | S | S | * | * | trans | 103.5 | 94 | -178.9 | -76.3 | -95.4 | 0 | 0 | 0 | 115.6 | ||||
| 175 | Q | 38.6 | Very low | 41 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 92% | 0.916 | 69% | 0.694 | S | S | * | * | trans | -99.7 | 111.4 | 153.6 | -148.3 | 168.5 | -26.1 | 0 | 0 | 107.5 | Q177 | Q175-Q177 PolarHBondContact O-N 3.5Š| ||
| 176 | Y | 29 | Very low | 40.3 | Very low | 220 Ų | 220 | 132.2 Ų | 132.2 | 86% | 0.863 | 71% | 0.711 | S | S | * | * | trans | -66.4 | 124 | 175.7 | -144 | -98 | 0 | 0 | 0 | 108.6 | G178 | Y176-G178 VanDerWaalsContact C-N 3.33Å; Y176-G178 PolarHBondContact O-N 3.21Å | ||
| 177 | Q | 39.8 | Very low | 39.8 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 93% | 0.93 | 72% | 0.717 | S | S | * | * | trans | -72.5 | 84 | -178.8 | -170.7 | 165.9 | -24.7 | 0 | 0 | 110 | Q175 | Q175-Q177 PolarHBondContact O-N 3.5Š| ||
| 178 | G | 30.2 | Very low | 39.5 | Very low | 61 Ų | 61 | 135.9 Ų | 135.9 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | trans | -110.5 | 110.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110 | Y176 Y180 | Y176-G178 VanDerWaalsContact C-N 3.33Å; Y176-G178 PolarHBondContact O-N 3.21Å; G178-Y180 PolarHBondContact O-N 2.88Å | ||
| 179 | G | 35.7 | Very low | 39.2 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | -71.8 | 96.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 180 | Y | 29.7 | Very low | 38.9 | Very low | 228 Ų | 228 | 141.6 Ų | 141.6 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | trans | -147.5 | 119.8 | 147.7 | -75.5 | -76.5 | 0 | 0 | 0 | 108.2 | G178 A182 | G178-Y180 PolarHBondContact O-N 2.88Å; Y180-A182 PolarHBondContact O-N 2.82Å | ||
| 181 | V | 36.3 | Very low | 38.3 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | trans | -72.9 | 110.1 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 182 | A | 34.5 | Very low | 37.9 | Very low | 86 Ų | 86 | 152.5 Ų | 152.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -102.8 | 134.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y180 | Y180-A182 PolarHBondContact O-N 2.82Š| ||
| 183 | P | 36.8 | Very low | 37.7 | Very low | 113 Ų | 113 | 154.2 Ų | 154.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -71.5 | 154.4 | -175.1 | 13.9 | -3.9 | 0 | 0 | 0 | 111.4 | V185 | P183-V185 WeakPolarHBondContact O-CG2 3.5Å; P183-V185 PolarHBondContact O-N 3.01Å | ||
| 184 | E | 40.1 | Very low | 37.6 | Very low | 202 Ų | 202 | 154.8 Ų | 154.8 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -40.8 | 114.6 | -179.9 | -68.1 | -178.9 | 143.8 | 0 | 0 | 113.2 | ||||
| 185 | V | 37.2 | Very low | 37.6 | Very low | 94 Ų | 94 | 156.9 Ų | 156.9 | 57% | 0.57 | 80% | 0.804 | S | S | * | * | trans | -129.9 | 120.1 | 162.5 | -160.4 | 0 | 0 | 0 | 0 | 107.8 | P183 H187 | P183-V185 WeakPolarHBondContact O-CG2 3.5Å; P183-V185 PolarHBondContact O-N 3.01Å; V185-H187 PolarHBondContact O-CD2 2.74Å; V185-H187 PolarHBondContact O-N 2.72Å; V185-H187 PolarHBondContact O-NE2 2.83Å | ||
| 186 | N | 39.3 | Very low | 37.5 | Very low | 160 Ų | 160 | 150.8 Ų | 150.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -66.1 | 100.2 | 167.4 | -80.8 | -49.8 | 0 | 0 | 0 | 108.1 | V188 | N186-V188 PolarHBondContact O-N 3.02Š| ||
| 187 | H | 37.5 | Very low | 37.9 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -81.7 | 98.2 | 177.1 | -49.8 | -73.6 | 0 | 0 | 0 | 109.3 | V185 I189 | V185-H187 PolarHBondContact O-CD2 2.74Å; V185-H187 PolarHBondContact O-N 2.72Å; V185-H187 PolarHBondContact O-NE2 2.83Å; H187-I189 PolarHBondContact O-N 3.03Å | ||
| 188 | V | 43.1 | Very low | 37.7 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -83.3 | 106.8 | 166.1 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | N186 I190 | N186-V188 PolarHBondContact O-N 3.02Å; V188-I190 HydrophobicContact CG1-CG1 4.01Å | ||
| 189 | I | 46 | Very low | 38.1 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | trans | -95.5 | 106.4 | 172.3 | -57.1 | 175.5 | 0 | 0 | 0 | 107.5 | H187 Q191 | H187-I189 PolarHBondContact O-N 3.03Å; I189-Q191 PolarHBondContact O-N 2.92Å | ||
| 190 | I | 45.2 | Very low | 38.2 | Very low | 138 Ų | 138 | 150 Ų | 150 | 71% | 0.708 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 108.6 | 172.4 | -56.3 | 174.1 | 0 | 0 | 0 | 107.2 | V188 E192 | V188-I190 HydrophobicContact CG1-CG1 4.01Å; I190-E192 PolarHBondContact O-N 2.86Å | ||
| 191 | Q | 38.2 | Very low | 39 | Very low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -81.2 | 95.9 | 173.1 | -167.5 | 176.4 | 9.8 | 0 | 0 | 109 | I189 R193 | I189-Q191 PolarHBondContact O-N 2.92Å; Q191-R193 PolarHBondContact O-N 2.98Å | ||
| 192 | E | 36.8 | Very low | 39.5 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68 | 121.7 | 168.2 | -73.1 | -166.7 | 162.4 | 0 | 0 | 109.5 | I190 | I190-E192 PolarHBondContact O-N 2.86Š|
| 193 | R | 39.2 | Very low | 40.2 | Very low | 212 Ų | 212 | 146.8 Ų | 146.8 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 139.2 | 175.6 | -78.8 | -178.5 | 174.9 | 173.7 | -1.4 | 110.5 | Q191 R195 | Q191-R193 PolarHBondContact O-N 2.98Å; R193-R195 PolarHBondContact O-N 2.7Å |
| 194 | P | 40.7 | Very low | 40.4 | Very low | 125 Ų | 125 | 144.8 Ų | 144.8 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68 | 123.5 | 163.7 | -2.2 | 17.8 | 0 | 0 | 0 | 108.8 | G196 | P194-G196 PolarHBondContact O-N 3.47Å; P194-G196 VanDerWaalsContact O-N 3.16Å |
| 195 | R | 36.2 | Very low | 40.6 | Very low | 253 Ų | 253 | 144.1 Ų | 144.1 | 96% | 0.955 | 80% | 0.801 | S | S | * | * | trans | -65.5 | 109.2 | 166.7 | -101.7 | 179.7 | 169.4 | 149.3 | -3 | 108.5 | R193 | R193-R195 PolarHBondContact O-N 2.7Š| ||
| 196 | G | 35.8 | Very low | 40.8 | Very low | 68 Ų | 68 | 147.7 Ų | 147.7 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -77 | 155.1 | 164 | 0 | 0 | 0 | 0 | 0 | 112 | P194 | P194-G196 PolarHBondContact O-N 3.47Å; P194-G196 VanDerWaalsContact O-N 3.16Å | ||
| 197 | E | 37.1 | Very low | 41.1 | Very low | 199 Ų | 199 | 144.4 Ų | 144.4 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | 80.1 | 99.8 | 165.9 | -69.3 | -163.6 | 139.2 | 0 | 0 | 119.3 | ||||
| 198 | A | 36.9 | Very low | 41.1 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | -179.4 | 134.7 | 100.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 199 | G | 37 | Very low | 41 | Very low | 73 Ų | 73 | 139.8 Ų | 139.8 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | 98 | 83.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 200 | D | 39.6 | Very low | 40.9 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | 55.4 | 144.2 | 116.3 | -123.3 | -7.7 | 0 | 0 | 0 | 121.6 | |||||
| 201 | V | 44.7 | Very low | 40.7 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | 77.1 | 94.7 | 159.3 | -127.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 202 | A | 47.4 | Very low | 40.5 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | trans | 30.3 | 101.8 | 132.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 203 | L | 48.3 | Very low | 40.7 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 96% | 0.963 | 83% | 0.826 | S | S | * | * | trans | -139.3 | 96.1 | 157.9 | -159.4 | 79.5 | 0 | 0 | 0 | 110 | ||||
| 204 | G | 42 | Very low | 40.9 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | 161.6 | 85.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 205 | M | 43.2 | Very low | 41 | Very low | 188 Ų | 188 | 127.3 Ų | 127.3 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | 141.5 | 105.1 | 143.4 | -77.2 | -178.1 | -176 | 0 | 0 | 111 | ||||
| 206 | L | 42.2 | Very low | 40.9 | Very low | 170 Ų | 170 | 120.8 Ų | 120.8 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -174.3 | 98 | 144.2 | -98.8 | 164.2 | 0 | 0 | 0 | 105.4 | ||||
| 207 | A | 45.5 | Very low | 41.2 | Very low | 90 Ų | 90 | 122 Ų | 122 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | 67 | 107.4 | 93.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 208 | G | 38 | Very low | 41.5 | Very low | 80 Ų | 80 | 120.9 Ų | 120.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 143.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 209 | A | 41.4 | Very low | 41.7 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 167.5 | 115.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 210 | A | 43.8 | Very low | 41.5 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | 165.1 | 113.6 | 125.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 211 | T | 40.4 | Very low | 41.3 | Very low | 142 Ų | 142 | 125 Ų | 125 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -33.8 | 147.1 | 155.6 | 41.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 212 | G | 33.9 | Very low | 41 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | 87.8 | 137.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 213 | L | 41.6 | Very low | 40.6 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | cis | -154.5 | 126.9 | 15.7 | -77.2 | 161.7 | 0 | 0 | 0 | 106.5 | ||||
| 214 | A | 43.6 | Very low | 40.2 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | trans | -103.9 | 102.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 215 | I | 42.2 | Very low | 40.1 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 75% | 0.754 | 83% | 0.832 | S | S | * | * | trans | -158.3 | 117.7 | 157.6 | 23.5 | 174.2 | 0 | 0 | 0 | 110.6 | ||||
| 216 | S | 34.7 | Very low | 39.9 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 93.8 | 123.9 | 134.4 | -150.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 217 | S | 42.4 | Very low | 39.8 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 82% | 0.823 | S | S | * | * | trans | 85.3 | 98.7 | 131.1 | -173.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 218 | L | 42.5 | Very low | 39.4 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | -128.2 | 89.6 | 143.6 | -89.6 | 163.7 | 0 | 0 | 0 | 109.2 | ||||
| 219 | F | 41.3 | Very low | 39.5 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -135.3 | 130.3 | 149.8 | -88.2 | -74 | 0 | 0 | 0 | 109.3 | ||||
| 220 | S | 33.5 | Very low | 39.4 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | 97.8 | 117.3 | 152.3 | -115.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 221 | V | 34.5 | Very low | 39 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 67% | 0.667 | 83% | 0.83 | S | S | * | * | trans | 70.9 | 111 | 137.7 | -179.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 222 | F | 37.7 | Very low | 38.9 | Very low | 277 Ų | 277 | 142.3 Ų | 142.3 | 100% | 1.215 | 83% | 0.827 | S | S | * | * | -151.3 | 0 | 102.7 | -91.4 | -74.7 | 0 | 0 | 0 | 110 |
Retrieved 222 of 222 residues in 58.2 ms
(Link to these results)