| 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 | V | 33.5 | Very low | 38.4 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 100% | 1.152 | 71% | 0.711 | S | S | * | * | 0 | 74.8 | 0 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 2 | F | 26.1 | Very low | 40.7 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 87% | 0.868 | 70% | 0.7 | S | S | * | * | trans | -155.7 | 83.7 | 174.5 | -90.3 | -68.9 | 0 | 0 | 0 | 108.5 | ||||
| 3 | I | 28.3 | Very low | 43.3 | Very low | 154 Ų | 154 | 130 Ų | 130 | 79% | 0.79 | 67% | 0.668 | S | S | * | * | trans | -118.7 | 150.2 | 164.6 | -58.9 | 172.1 | 0 | 0 | 0 | 104.2 | ||||
| 4 | L | 29.1 | Very low | 45.7 | Very low | 165 Ų | 165 | 130 Ų | 130 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | trans | 88.1 | 53.7 | -178.9 | -49.6 | 166 | 0 | 0 | 0 | 118.2 | ||||
| 5 | V | 32 | Very low | 47.8 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 61% | 0.606 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -135.6 | 21.8 | 164.8 | -146 | 0 | 0 | 0 | 0 | 115.9 | ||
| 6 | Y | 30.9 | Very low | 49.4 | Very low | 201 Ų | 201 | 116.1 Ų | 116.1 | 79% | 0.788 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -128.5 | -6.9 | 175.6 | -88.8 | -77.3 | 0 | 0 | 0 | 116.9 | ||
| 7 | G | 35.8 | Very low | 51 | Low | 43 Ų | 43 | 111.6 Ų | 111.6 | 44% | 0.443 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -88.7 | -2.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 8 | R | 41.8 | Very low | 52.4 | Low | 225 Ų | 225 | 115.2 Ų | 115.2 | 85% | 0.849 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -111.5 | -3.7 | -159.5 | -122.3 | -174.6 | -172.7 | -171.8 | 1.7 | 117.2 | ||
| 9 | H | 49.3 | Very low | 53.5 | Low | 163 Ų | 163 | 111.6 Ų | 111.6 | 76% | 0.755 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -109.6 | -4.5 | -174.5 | -82.5 | -71.8 | 0 | 0 | 0 | 115.2 | ||
| 10 | A | 56.8 | Low | 54.7 | Low | 31 Ų | 31 | 114.2 Ų | 114.2 | 26% | 0.256 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -86.7 | -47.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S12 S13 F32 W44 | A10-S12 PolarHBondContact O-N 3.4Å; A10-S13 WeakPolarHBondContact O-CB 3.11Å; A10-S13 PolarHBondContact O-N 3.46Å; A10-S13 PolarHBondContact O-OG 3.15Å; A10-F32 HydrophobicContact CB-CD1 3.88Å; A10-F32 HydrophobicContact CB-CD2 4.22Å; A10-F32 HydrophobicContact CB-CE1 3.56Å; A10-F32 HydrophobicContact CB-CE2 3.9Å; A10-F32 HydrophobicContact CB-CG 4.21Å; A10-F32 HydrophobicContact CB-CZ 3.58Å; A10-W44 WeakPolarHBondContact O-CB 3.32Å |
| 11 | E | 58.9 | Low | 56.1 | Low | 96 Ų | 96 | 109.4 Ų | 109.4 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 132.9 | 178.6 | -168.6 | 160.9 | -130.7 | 0 | 0 | 111.5 | S13 F32 W44 I46 | E11-S13 PolarHBondContact O-N 3.4Å; E11-F32 HydrophobicContact CB-CE1 4.28Å; E11-W44 WeakPolarHBondContact CA-O 3.35Å; E11-I46 HydrophobicContact CB-CD1 4.33Å; E11-I46 HydrophobicContact CB-CG1 4.31Å; E11-I46 HydrophobicContact CG-CD1 4.44Å; E11-I46 HydrophobicContact CG-CG1 4.24Å; E11-I46 VanDerWaalsContact OE1-CB 3.24Å; E11-I46 WeakPolarHBondContact OE1-CB 3.37Å; E11-I46 VanDerWaalsContact OE1-CG1 3.24Å; E11-I46 WeakPolarHBondContact OE1-CG1 3.3Å; E11-I46 PolarHBondContact OE1-N 2.04Å; E11-I46 WeakPolarHBondContact OE2-CD1 3.19Å |
| 12 | S | 66 | Low | 58.4 | Low | 83 Ų | 83 | 103.4 Ų | 103.4 | 58% | 0.58 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 17.9 | -172.1 | -67.7 | 0 | 0 | 0 | 0 | 116.7 | A10 E43 W44 | A10-S12 PolarHBondContact O-N 3.4Å; S12-E43 VanDerWaalsContact CA-OE1 3.29Å; S12-E43 WeakPolarHBondContact CA-OE1 3.29Å; S12-E43 WeakPolarHBondContact CB-OE1 3.26Å; S12-E43 PolarHBondContact OG-OE1 3.3Å; S12-W44 PolarHBondContact N-O 2.84Å |
| 13 | S | 73.7 | Confident | 60.9 | Low | 41 Ų | 41 | 96.1 Ų | 96.1 | 29% | 0.287 | 48% | 0.481 | S | S | . | . | trans | -88.5 | 152.3 | 162.2 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | A10 E11 E43 W44 | A10-S13 WeakPolarHBondContact O-CB 3.11Å; A10-S13 PolarHBondContact O-N 3.46Å; A10-S13 PolarHBondContact O-OG 3.15Å; E11-S13 PolarHBondContact O-N 3.4Å; S13-E43 WeakPolarHBondContact O-CA 3.02Å; S13-W44 PolarHBondContact O-N 2.89Å; S13-W44 VanDerWaalsContact OG-CD1 3.29Å | ||
| 14 | L | 77.5 | Confident | 63.4 | Low | 130 Ų | 130 | 89.2 Ų | 89.2 | 68% | 0.681 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 154 | 178.9 | -59.9 | -179.2 | 0 | 0 | 0 | 112 | V41 G42 | L14-V41 HydrophobicContact CD1-CG1 4.31Å; L14-V41 HydrophobicContact CD2-CG1 3.95Å; L14-G42 CarbonylContact C-O 3.51Å; L14-G42 WeakPolarHBondContact CA-O 3.25Å |
| 15 | C | 78 | Confident | 65.5 | Low | 9 Ų | 9 | 85.1 Ų | 85.1 | 6% | 0.061 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 155.7 | 179.2 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | C34 G42 E43 W44 | C15-C34 HydrophobicContact CB-CB 3.89Å; C15-C34 WeakPolarHBondContact CB-SG 3.24Å; C15-C34 WeakPolarHBondContact SG-CA 3.34Å; C15-C34 WeakPolarHBondContact SG-CB 3.48Å; C15-C34 CovalentContact SG-SG 2.03Å; C15-C34 PolarHBondContact SG-SG 2.66Å; C15-G42 PolarHBondContact N-O 2.68Å; C15-G42 PolarHBondContact O-N 2.03Å; C15-E43 PolarHBondContact SG-N 2.99Å; C15-E43 VanDerWaalsContact SG-N 3.41Å; C15-W44 HydrophobicContact CB-CD2 4.06Å; C15-W44 HydrophobicContact CB-CG 4.17Å; C15-W44 HydrophobicContact CB-CZ2 3.88Å |
| 16 | D | 73.4 | Confident | 67.5 | Low | 29 Ų | 29 | 88.7 Ų | 88.7 | 16% | 0.155 | 45% | 0.445 | C | S | . | . | trans | -74.1 | 128.6 | 164.9 | -172.9 | -43.2 | 0 | 0 | 0 | 108.2 | R18 E19 C34 | D16-R18 PolarHBondContact O-N 2.95Å; D16-R18 VanDerWaalsContact OD1-CB 3.22Å; D16-R18 WeakPolarHBondContact OD1-CB 3.29Å; D16-R18 VanDerWaalsContact OD1-CG 3.32Å; D16-R18 WeakPolarHBondContact OD1-CG 3.29Å; D16-R18 IonicContact OD1-CZ 3.86Å; D16-R18 PolarHBondContact OD1-N 2.04Å; D16-R18 IonicContact OD1-NE 2.96Å; D16-R18 PolarHBondContact OD1-NE 2.81Å; D16-R18 IonicContact OD1-NH2 3.88Å; D16-R18 IonicContact OD2-CZ 3.3Å; D16-R18 VanDerWaalsContact OD2-CZ 3.3Å; D16-R18 IonicContact OD2-NE 3.1Å; D16-R18 PolarHBondContact OD2-NE 2.97Å; D16-R18 VanDerWaalsContact OD2-NE 3.1Å; D16-R18 IonicContact OD2-NH2 2.68Å; D16-R18 PolarHBondContact OD2-NH2 3.23Å; D16-E19 HydrophobicContact CB-CG 4.28Å; D16-E19 PolarHBondContact N-OE1 3.29Å; D16-E19 WeakPolarHBondContact O-CB 3.4Å; D16-E19 PolarHBondContact O-N 2.88Å; D16-C34 VanDerWaalsContact C-SG 3.59Å; D16-C34 PolarHBondContact O-SG 3.32Å; D16-C34 VanDerWaalsContact O-SG 3.34Å | ||
| 17 | P | 76.6 | Confident | 69.9 | Low | 40 Ų | 40 | 81 Ų | 81 | 26% | 0.26 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -13.4 | 176 | -28 | 36.7 | 0 | 0 | 0 | 115.7 | N36 H40 | P17-N36 VanDerWaalsContact CB-OD1 3.27Å; P17-N36 WeakPolarHBondContact CB-OD1 3.14Å; P17-N36 WeakPolarHBondContact CG-OD1 3.37Å; P17-H40 VanDerWaalsContact CD-C 3.46Å; P17-H40 VanDerWaalsContact CD-O 3.28Å; P17-H40 WeakPolarHBondContact CD-O 2.98Å |
| 18 | R | 75.6 | Confident | 72 | Confident | 175 Ų | 175 | 85.5 Ų | 85.5 | 66% | 0.66 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8.7 | 173.8 | -60.2 | 172.3 | -73.6 | -170.2 | 3.2 | 113.6 | D16 Y20 | D16-R18 PolarHBondContact O-N 2.95Å; D16-R18 VanDerWaalsContact OD1-CB 3.22Å; D16-R18 WeakPolarHBondContact OD1-CB 3.29Å; D16-R18 VanDerWaalsContact OD1-CG 3.32Å; D16-R18 WeakPolarHBondContact OD1-CG 3.29Å; D16-R18 IonicContact OD1-CZ 3.86Å; D16-R18 PolarHBondContact OD1-N 2.04Å; D16-R18 IonicContact OD1-NE 2.96Å; D16-R18 PolarHBondContact OD1-NE 2.81Å; D16-R18 IonicContact OD1-NH2 3.88Å; D16-R18 IonicContact OD2-CZ 3.3Å; D16-R18 VanDerWaalsContact OD2-CZ 3.3Å; D16-R18 IonicContact OD2-NE 3.1Å; D16-R18 PolarHBondContact OD2-NE 2.97Å; D16-R18 VanDerWaalsContact OD2-NE 3.1Å; D16-R18 IonicContact OD2-NH2 2.68Å; D16-R18 PolarHBondContact OD2-NH2 3.23Å; R18-Y20 PolarHBondContact O-N 3.02Å |
| 19 | E | 73 | Confident | 74.1 | Confident | 48 Ų | 48 | 77 Ų | 77 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -70.7 | 128.3 | 177.9 | -77.8 | -169.6 | -95.8 | 0 | 0 | 112.7 | D16 K22 W44 | D16-E19 HydrophobicContact CB-CG 4.28Å; D16-E19 PolarHBondContact N-OE1 3.29Å; D16-E19 WeakPolarHBondContact O-CB 3.4Å; D16-E19 PolarHBondContact O-N 2.88Å; E19-K22 IonicContact OE2-NZ 2.96Å; E19-K22 PolarHBondContact OE2-NZ 2.75Å; E19-W44 HydrophobicContact CB-CH2 3.83Å; E19-W44 HydrophobicContact CB-CZ2 3.91Å; E19-W44 HydrophobicContact CG-CZ2 4.47Å |
| 20 | Y | 78.7 | Confident | 76 | Confident | 163 Ų | 163 | 72.7 Ų | 72.7 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 144.3 | 172.7 | -67.5 | -63.5 | 0 | 0 | 0 | 112.5 | R18 K22 W44 Q60 | R18-Y20 PolarHBondContact O-N 3.02Å; Y20-K22 WeakPolarHBondContact O-CG 3Å; Y20-W44 WeakPolarHBondContact O-CH2 3.04Å; Y20-Q60 HydrophobicContact CD1-CG 3.81Å; Y20-Q60 HydrophobicContact CE1-CG 4.47Å |
| 21 | A | 82.7 | Confident | 77.5 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 11% | 0.107 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 141.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F31 F32 F55 Q60 | A21-F31 HydrophobicContact CB-CD2 4Å; A21-F32 CarbonylContact C-O 3.5Å; A21-F32 WeakPolarHBondContact CA-O 3.02Å; A21-F32 VanDerWaalsContact CB-O 3.25Å; A21-F32 WeakPolarHBondContact CB-O 3.47Å; A21-F55 HydrophobicContact CB-CE1 4.38Å; A21-F55 HydrophobicContact CB-CE2 4.39Å; A21-F55 HydrophobicContact CB-CZ 3.68Å; A21-F55 WeakPolarHBondContact O-CE1 3.47Å; A21-Q60 PolarHBondContact O-NE2 3.4Å |
| 22 | K | 81.5 | Confident | 78.9 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 28% | 0.278 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.7 | -168.2 | -57.7 | 171.5 | -171.7 | 169.6 | 0 | 109.5 | E19 Y20 F31 F32 W44 | E19-K22 IonicContact OE2-NZ 2.96Å; E19-K22 PolarHBondContact OE2-NZ 2.75Å; Y20-K22 WeakPolarHBondContact O-CG 3Å; K22-F31 CarbonylContact O-C 3.58Å; K22-F31 WeakPolarHBondContact O-CA 3.49Å; K22-F31 WeakPolarHBondContact O-CB 3.09Å; K22-F32 PolarHBondContact N-O 3.04Å; K22-F32 PolarHBondContact O-N 2.81Å; K22-W44 HydrophobicContact CD-CH2 3.98Å; K22-W44 HydrophobicContact CD-CZ2 4.16Å; K22-W44 HydrophobicContact CG-CH2 4.3Å; K22-W44 VanDerWaalsContact NZ-CZ2 3.27Å |
| 23 | A | 79 | Confident | 79.9 | Confident | 45 Ų | 45 | 68.2 Ų | 68.2 | 37% | 0.372 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 146.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F55 | A23-F55 HydrophobicContact CB-CD1 4.17Å |
| 24 | V | 82.4 | Confident | 80.4 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.2 | 172.9 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | D27 R30 F32 | V24-D27 HydrophobicContact CG1-CB 4.44Å; V24-D27 CarbonylContact O-C 3.53Å; V24-D27 PolarHBondContact O-N 2.86Å; V24-D27 VanDerWaalsContact O-N 3.14Å; V24-R30 HydrophobicContact CB-CB 3.78Å; V24-R30 HydrophobicContact CG1-CB 4.42Å; V24-R30 HydrophobicContact CG2-CB 3.62Å; V24-R30 PolarHBondContact N-O 3.26Å; V24-F32 HydrophobicContact CB-CE2 4.2Å; V24-F32 HydrophobicContact CG1-CE2 4.37Å; V24-F32 HydrophobicContact CG1-CZ 4.34Å; V24-F32 HydrophobicContact CG2-CD1 4.44Å; V24-F32 HydrophobicContact CG2-CD2 3.83Å; V24-F32 HydrophobicContact CG2-CE1 4.26Å; V24-F32 HydrophobicContact CG2-CE2 3.65Å; V24-F32 HydrophobicContact CG2-CG 4.23Å; V24-F32 HydrophobicContact CG2-CZ 3.86Å |
| 25 | P | 72.1 | Confident | 80.8 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 144.6 | 171.7 | -26.5 | 35.6 | 0 | 0 | 0 | 111.9 | D27 | P25-D27 PolarHBondContact O-N 3.41Š|
| 26 | D | 73.8 | Confident | 81 | Confident | 176 Ų | 176 | 68 Ų | 68 | 94% | 0.941 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | -3.6 | -171.9 | -59.3 | -34.6 | 0 | 0 | 0 | 117 | ||
| 27 | D | 81.7 | Confident | 81.1 | Confident | 39 Ų | 39 | 71 Ų | 71 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 88.8 | -179.2 | -165.5 | -20.2 | 0 | 0 | 0 | 113.7 | V24 P25 S29 R30 | V24-D27 HydrophobicContact CG1-CB 4.44Å; V24-D27 CarbonylContact O-C 3.53Å; V24-D27 PolarHBondContact O-N 2.86Å; V24-D27 VanDerWaalsContact O-N 3.14Å; P25-D27 PolarHBondContact O-N 3.41Å; D27-S29 PolarHBondContact O-N 2.04Å; D27-S29 VanDerWaalsContact O-N 3.07Å; D27-S29 WeakPolarHBondContact OD1-CA 3.03Å; D27-S29 VanDerWaalsContact OD1-CB 3.28Å; D27-S29 WeakPolarHBondContact OD1-CB 3.49Å; D27-S29 PolarHBondContact OD1-N 3.22Å; D27-S29 PolarHBondContact OD1-OG 2.87Å; D27-R30 HydrophobicContact CB-CB 4.44Å; D27-R30 VanDerWaalsContact CB-NH2 3.31Å; D27-R30 PolarHBondContact O-N 2.94Å; D27-R30 IonicContact OD2-CZ 3.18Å; D27-R30 IonicContact OD2-NE 2.69Å; D27-R30 PolarHBondContact OD2-NE 3.19Å; D27-R30 IonicContact OD2-NH2 2.79Å; D27-R30 PolarHBondContact OD2-NH2 3.01Å |
| 28 | Q | 80 | Confident | 81 | Confident | 138 Ų | 138 | 73.8 Ų | 73.8 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | -13.5 | 175.5 | -63.1 | -175.3 | -3.5 | 0 | 0 | 114.2 | R30 V54 F55 | Q28-R30 VanDerWaalsContact C-N 3.25Å; Q28-V54 HydrophobicContact CB-CB 4.01Å; Q28-V54 HydrophobicContact CB-CG1 3.74Å; Q28-V54 CarbonylContact O-C 3.48Å; Q28-V54 VanDerWaalsContact O-CA 3.23Å; Q28-V54 WeakPolarHBondContact O-CA 3.23Å; Q28-F55 PolarHBondContact O-N 2.03Å |
| 29 | S | 85.1 | Confident | 80.4 | Confident | 47 Ų | 47 | 69 Ų | 69 | 33% | 0.329 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -4.1 | 172.6 | 81.4 | 0 | 0 | 0 | 0 | 112.8 | D27 K48 C49 | D27-S29 PolarHBondContact O-N 2.04Å; D27-S29 VanDerWaalsContact O-N 3.07Å; D27-S29 WeakPolarHBondContact OD1-CA 3.03Å; D27-S29 VanDerWaalsContact OD1-CB 3.28Å; D27-S29 WeakPolarHBondContact OD1-CB 3.49Å; D27-S29 PolarHBondContact OD1-N 3.22Å; D27-S29 PolarHBondContact OD1-OG 2.87Å; S29-K48 CarbonylContact O-C 3.48Å; S29-K48 WeakPolarHBondContact O-CA 3.45Å; S29-C49 PolarHBondContact O-N 2.78Å |
| 30 | R | 89.4 | Confident | 80 | Confident | 71 Ų | 71 | 73.4 Ų | 73.4 | 27% | 0.268 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.1 | 178.8 | -73.6 | -170.2 | -84.1 | 140 | 7.5 | 112.8 | V24 D27 Q28 I46 R47 K48 | V24-R30 HydrophobicContact CB-CB 3.78Å; V24-R30 HydrophobicContact CG1-CB 4.42Å; V24-R30 HydrophobicContact CG2-CB 3.62Å; V24-R30 PolarHBondContact N-O 3.26Å; D27-R30 HydrophobicContact CB-CB 4.44Å; D27-R30 VanDerWaalsContact CB-NH2 3.31Å; D27-R30 PolarHBondContact O-N 2.94Å; D27-R30 IonicContact OD2-CZ 3.18Å; D27-R30 IonicContact OD2-NE 2.69Å; D27-R30 PolarHBondContact OD2-NE 3.19Å; D27-R30 IonicContact OD2-NH2 2.79Å; D27-R30 PolarHBondContact OD2-NH2 3.01Å; Q28-R30 VanDerWaalsContact C-N 3.25Å; R30-I46 HydrophobicContact CB-CG2 4.26Å; R30-I46 HydrophobicContact CG-CG2 4.17Å; R30-R47 VanDerWaalsContact CA-O 3.29Å; R30-R47 WeakPolarHBondContact CA-O 3.48Å; R30-K48 HydrophobicContact CG-CD 4.39Å; R30-K48 HydrophobicContact CG-CG 4.05Å |
| 31 | F | 89.5 | Confident | 79.6 | Confident | 27 Ų | 27 | 68.4 Ų | 68.4 | 12% | 0.118 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.2 | 174.5 | 60.8 | -83.5 | 0 | 0 | 0 | 111.1 | A21 K22 Q33 R47 F55 C62 | A21-F31 HydrophobicContact CB-CD2 4Å; K22-F31 CarbonylContact O-C 3.58Å; K22-F31 WeakPolarHBondContact O-CA 3.49Å; K22-F31 WeakPolarHBondContact O-CB 3.09Å; F31-Q33 HydrophobicContact CD2-CB 4.29Å; F31-Q33 HydrophobicContact CE2-CB 4.21Å; F31-R47 HydrophobicContact CD1-CB 3.99Å; F31-R47 HydrophobicContact CD2-CB 3.85Å; F31-R47 HydrophobicContact CD2-CG 4.21Å; F31-R47 HydrophobicContact CE1-CB 3.59Å; F31-R47 HydrophobicContact CE2-CB 3.47Å; F31-R47 VanDerWaalsContact CE2-CB 3.47Å; F31-R47 HydrophobicContact CE2-CG 3.69Å; F31-R47 HydrophobicContact CG-CB 4.12Å; F31-R47 HydrophobicContact CZ-CB 3.34Å; F31-R47 HydrophobicContact CZ-CG 3.93Å; F31-R47 PolarHBondContact N-O 3.23Å; F31-R47 PolarHBondContact O-N 3.21Å; F31-F55 HydrophobicContact CB-CB 4.14Å; F31-F55 HydrophobicContact CB-CD1 3.71Å; F31-F55 HydrophobicContact CB-CD2 3.78Å; F31-F55 HydrophobicContact CB-CE1 4.01Å; F31-F55 HydrophobicContact CB-CE2 4.08Å; F31-F55 HydrophobicContact CB-CG 3.59Å; F31-F55 HydrophobicContact CB-CZ 4.2Å; F31-F55 HydrophobicContact CD1-CB 4.25Å; F31-F55 AromaticContact CD1-CD2 3.54Å; F31-F55 HydrophobicContact CD1-CD2 3.54Å; F31-F55 HydrophobicContact CD1-CE2 4.11Å; F31-F55 HydrophobicContact CD1-CG 4Å; F31-F55 HydrophobicContact CD2-CD2 4.09Å; F31-F55 AromaticContact CD2-CE2 3.82Å; F31-F55 HydrophobicContact CD2-CE2 3.82Å; F31-F55 HydrophobicContact CD2-CZ 4.24Å; F31-F55 HydrophobicContact CE1-CD2 4.06Å; F31-F55 HydrophobicContact CE1-CE2 4.48Å; F31-F55 HydrophobicContact CE2-CE2 4.18Å; F31-F55 HydrophobicContact CG-CD1 4.4Å; F31-F55 AromaticContact CG-CD2 3.55Å; F31-F55 HydrophobicContact CG-CD2 3.55Å; F31-F55 AromaticContact CG-CE2 3.76Å; F31-F55 HydrophobicContact CG-CE2 3.76Å; F31-F55 AromaticContact CG-CG 3.91Å; F31-F55 HydrophobicContact CG-CG 3.91Å; F31-F55 HydrophobicContact CG-CZ 4.28Å; F31-F55 HydrophobicContact CZ-CE2 4.49Å; F31-C62 VanDerWaalsContact CE1-SG 3.59Å |
| 32 | F | 87.7 | Confident | 79.5 | Confident | 13 Ų | 13 | 67.8 Ų | 67.8 | 6% | 0.057 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 131.7 | 167 | -60.3 | -74.6 | 0 | 0 | 0 | 109 | A10 E11 A21 K22 V24 W44 I46 | A10-F32 HydrophobicContact CB-CD1 3.88Å; A10-F32 HydrophobicContact CB-CD2 4.22Å; A10-F32 HydrophobicContact CB-CE1 3.56Å; A10-F32 HydrophobicContact CB-CE2 3.9Å; A10-F32 HydrophobicContact CB-CG 4.21Å; A10-F32 HydrophobicContact CB-CZ 3.58Å; E11-F32 HydrophobicContact CB-CE1 4.28Å; A21-F32 CarbonylContact C-O 3.5Å; A21-F32 WeakPolarHBondContact CA-O 3.02Å; A21-F32 VanDerWaalsContact CB-O 3.25Å; A21-F32 WeakPolarHBondContact CB-O 3.47Å; K22-F32 PolarHBondContact N-O 3.04Å; K22-F32 PolarHBondContact O-N 2.81Å; V24-F32 HydrophobicContact CB-CE2 4.2Å; V24-F32 HydrophobicContact CG1-CE2 4.37Å; V24-F32 HydrophobicContact CG1-CZ 4.34Å; V24-F32 HydrophobicContact CG2-CD1 4.44Å; V24-F32 HydrophobicContact CG2-CD2 3.83Å; V24-F32 HydrophobicContact CG2-CE1 4.26Å; V24-F32 HydrophobicContact CG2-CE2 3.65Å; V24-F32 HydrophobicContact CG2-CG 4.23Å; V24-F32 HydrophobicContact CG2-CZ 3.86Å; F32-W44 HydrophobicContact CB-CD2 4.33Å; F32-W44 HydrophobicContact CB-CE3 3.61Å; F32-W44 HydrophobicContact CB-CZ3 4.11Å; F32-I46 HydrophobicContact CD1-CD1 4.39Å; F32-I46 HydrophobicContact CD1-CG1 3.61Å; F32-I46 HydrophobicContact CE1-CD1 3.72Å; F32-I46 HydrophobicContact CE1-CG1 3.45Å; F32-I46 VanDerWaalsContact CE1-CG1 3.45Å; F32-I46 HydrophobicContact CZ-CD1 4.38Å; F32-I46 HydrophobicContact CZ-CG1 4.43Å |
| 33 | Q | 87.7 | Confident | 79.6 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.8 | 173.9 | -175.4 | -175.6 | 29.9 | 0 | 0 | 108.9 | F31 W44 A45 R47 | F31-Q33 HydrophobicContact CD2-CB 4.29Å; F31-Q33 HydrophobicContact CE2-CB 4.21Å; Q33-W44 VanDerWaalsContact C-CE3 3.49Å; Q33-A45 PolarHBondContact N-O 3.39Å; Q33-A45 PolarHBondContact O-N 2.83Å; Q33-R47 HydrophobicContact CB-CG 3.8Å |
| 34 | C | 84 | Confident | 79.8 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 12% | 0.122 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.6 | 171.8 | -168.9 | 0 | 0 | 0 | 0 | 109.9 | C15 D16 W44 | C15-C34 HydrophobicContact CB-CB 3.89Å; C15-C34 WeakPolarHBondContact CB-SG 3.24Å; C15-C34 WeakPolarHBondContact SG-CA 3.34Å; C15-C34 WeakPolarHBondContact SG-CB 3.48Å; C15-C34 CovalentContact SG-SG 2.03Å; C15-C34 PolarHBondContact SG-SG 2.66Å; D16-C34 VanDerWaalsContact C-SG 3.59Å; D16-C34 PolarHBondContact O-SG 3.32Å; D16-C34 VanDerWaalsContact O-SG 3.34Å; C34-W44 HydrophobicContact CB-CE3 4.29Å; C34-W44 HydrophobicContact CB-CH2 4.3Å; C34-W44 HydrophobicContact CB-CZ3 4.12Å |
| 35 | V | 85.3 | Confident | 80 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.4 | -179.6 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | V37 G42 E43 A45 | V35-V37 PolarHBondContact O-N 2.95Å; V35-G42 CarbonylContact O-C 3.41Å; V35-G42 WeakPolarHBondContact O-CA 3.24Å; V35-E43 PolarHBondContact N-O 3.12Å; V35-E43 PolarHBondContact O-N 3.41Å; V35-A45 HydrophobicContact CG2-CB 3.75Å |
| 36 | N | 81.4 | Confident | 80.8 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 58% | 0.578 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 125.7 | 177.6 | -74.1 | -79.6 | 0 | 0 | 0 | 111.7 | P17 | P17-N36 VanDerWaalsContact CB-OD1 3.27Å; P17-N36 WeakPolarHBondContact CB-OD1 3.14Å; P17-N36 WeakPolarHBondContact CG-OD1 3.37Å |
| 37 | V | 76.6 | Confident | 81.5 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -41.5 | 170.1 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | V35 V41 E43 | V35-V37 PolarHBondContact O-N 2.95Å; V37-V41 PolarHBondContact N-O 3.11Å; V37-E43 HydrophobicContact CG2-CB 3.55Å |
| 38 | V | 73.8 | Confident | 82 | Confident | 97 Ų | 97 | 67.5 Ų | 67.5 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 163.8 | 173.7 | -171 | 0 | 0 | 0 | 0 | 108.1 | H40 V41 | V38-H40 PolarHBondContact O-N 2.84Å; V38-V41 HydrophobicContact CB-CB 4.43Å; V38-V41 PolarHBondContact N-O 2.84Å; V38-V41 CarbonylContact O-C 3.54Å; V38-V41 PolarHBondContact O-N 3.02Å |
| 39 | A | 63.4 | Low | 82.5 | Confident | 74 Ų | 74 | 61.5 Ų | 61.5 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 128.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V41 | A39-V41 PolarHBondContact O-N 2.8Š|
| 40 | H | 63.8 | Low | 82.7 | Confident | 142 Ų | 142 | 62 Ų | 62 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 4.6 | -176.3 | -44.5 | -78.7 | 0 | 0 | 0 | 116.5 | P17 V38 | P17-H40 VanDerWaalsContact CD-C 3.46Å; P17-H40 VanDerWaalsContact CD-O 3.28Å; P17-H40 WeakPolarHBondContact CD-O 2.98Å; V38-H40 PolarHBondContact O-N 2.84Å |
| 41 | V | 70.6 | Confident | 82.4 | Confident | 58 Ų | 58 | 65 Ų | 65 | 35% | 0.352 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 112.8 | 176.6 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | L14 V37 V38 A39 | L14-V41 HydrophobicContact CD1-CG1 4.31Å; L14-V41 HydrophobicContact CD2-CG1 3.95Å; V37-V41 PolarHBondContact N-O 3.11Å; V38-V41 HydrophobicContact CB-CB 4.43Å; V38-V41 PolarHBondContact N-O 2.84Å; V38-V41 CarbonylContact O-C 3.54Å; V38-V41 PolarHBondContact O-N 3.02Å; A39-V41 PolarHBondContact O-N 2.8Å |
| 42 | G | 80.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 176.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | L14 C15 V35 | L14-G42 CarbonylContact C-O 3.51Å; L14-G42 WeakPolarHBondContact CA-O 3.25Å; C15-G42 PolarHBondContact N-O 2.68Å; C15-G42 PolarHBondContact O-N 2.03Å; V35-G42 CarbonylContact O-C 3.41Å; V35-G42 WeakPolarHBondContact O-CA 3.24Å |
| 43 | E | 82.9 | Confident | 82.3 | Confident | 71 Ų | 71 | 68 Ų | 68 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 137.3 | 173.2 | -177.2 | -175.7 | 160.6 | 0 | 0 | 108.9 | S12 S13 C15 V35 V37 A45 | S12-E43 VanDerWaalsContact CA-OE1 3.29Å; S12-E43 WeakPolarHBondContact CA-OE1 3.29Å; S12-E43 WeakPolarHBondContact CB-OE1 3.26Å; S12-E43 PolarHBondContact OG-OE1 3.3Å; S13-E43 WeakPolarHBondContact O-CA 3.02Å; C15-E43 PolarHBondContact SG-N 2.99Å; C15-E43 VanDerWaalsContact SG-N 3.41Å; V35-E43 PolarHBondContact N-O 3.12Å; V35-E43 PolarHBondContact O-N 3.41Å; V37-E43 HydrophobicContact CG2-CB 3.55Å; E43-A45 PolarHBondContact O-N 2.83Å |
| 44 | W | 84.3 | Confident | 82.3 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 6% | 0.057 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 111.8 | 178 | -78.9 | 112.5 | 0 | 0 | 0 | 111.1 | A10 E11 S12 S13 C15 E19 Y20 K22 F32 Q33 C34 | A10-W44 WeakPolarHBondContact O-CB 3.32Å; E11-W44 WeakPolarHBondContact CA-O 3.35Å; S12-W44 PolarHBondContact N-O 2.84Å; S13-W44 PolarHBondContact O-N 2.89Å; S13-W44 VanDerWaalsContact OG-CD1 3.29Å; C15-W44 HydrophobicContact CB-CD2 4.06Å; C15-W44 HydrophobicContact CB-CG 4.17Å; C15-W44 HydrophobicContact CB-CZ2 3.88Å; E19-W44 HydrophobicContact CB-CH2 3.83Å; E19-W44 HydrophobicContact CB-CZ2 3.91Å; E19-W44 HydrophobicContact CG-CZ2 4.47Å; Y20-W44 WeakPolarHBondContact O-CH2 3.04Å; K22-W44 HydrophobicContact CD-CH2 3.98Å; K22-W44 HydrophobicContact CD-CZ2 4.16Å; K22-W44 HydrophobicContact CG-CH2 4.3Å; K22-W44 VanDerWaalsContact NZ-CZ2 3.27Å; F32-W44 HydrophobicContact CB-CD2 4.33Å; F32-W44 HydrophobicContact CB-CE3 3.61Å; F32-W44 HydrophobicContact CB-CZ3 4.11Å; Q33-W44 VanDerWaalsContact C-CE3 3.49Å; C34-W44 HydrophobicContact CB-CE3 4.29Å; C34-W44 HydrophobicContact CB-CH2 4.3Å; C34-W44 HydrophobicContact CB-CZ3 4.12Å |
| 45 | A | 85.5 | Confident | 82.5 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q33 V35 E43 | Q33-A45 PolarHBondContact N-O 3.39Å; Q33-A45 PolarHBondContact O-N 2.83Å; V35-A45 HydrophobicContact CG2-CB 3.75Å; E43-A45 PolarHBondContact O-N 2.83Å |
| 46 | I | 88.6 | Confident | 82.4 | Confident | 32 Ų | 32 | 64 Ų | 64 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 133.1 | 170.8 | -66.7 | -179.8 | 0 | 0 | 0 | 110.5 | E11 R30 F32 | E11-I46 HydrophobicContact CB-CD1 4.33Å; E11-I46 HydrophobicContact CB-CG1 4.31Å; E11-I46 HydrophobicContact CG-CD1 4.44Å; E11-I46 HydrophobicContact CG-CG1 4.24Å; E11-I46 VanDerWaalsContact OE1-CB 3.24Å; E11-I46 WeakPolarHBondContact OE1-CB 3.37Å; E11-I46 VanDerWaalsContact OE1-CG1 3.24Å; E11-I46 WeakPolarHBondContact OE1-CG1 3.3Å; E11-I46 PolarHBondContact OE1-N 2.04Å; E11-I46 WeakPolarHBondContact OE2-CD1 3.19Å; R30-I46 HydrophobicContact CB-CG2 4.26Å; R30-I46 HydrophobicContact CG-CG2 4.17Å; F32-I46 HydrophobicContact CD1-CD1 4.39Å; F32-I46 HydrophobicContact CD1-CG1 3.61Å; F32-I46 HydrophobicContact CE1-CD1 3.72Å; F32-I46 HydrophobicContact CE1-CG1 3.45Å; F32-I46 VanDerWaalsContact CE1-CG1 3.45Å; F32-I46 HydrophobicContact CZ-CD1 4.38Å; F32-I46 HydrophobicContact CZ-CG1 4.43Å |
| 47 | R | 90.1 | Very high | 82.1 | Confident | 99 Ų | 99 | 61 Ų | 61 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 157.6 | 168.8 | -57.9 | -55.4 | -167.2 | -154.3 | 0.9 | 110 | R30 F31 Q33 | R30-R47 VanDerWaalsContact CA-O 3.29Å; R30-R47 WeakPolarHBondContact CA-O 3.48Å; F31-R47 HydrophobicContact CD1-CB 3.99Å; F31-R47 HydrophobicContact CD2-CB 3.85Å; F31-R47 HydrophobicContact CD2-CG 4.21Å; F31-R47 HydrophobicContact CE1-CB 3.59Å; F31-R47 HydrophobicContact CE2-CB 3.47Å; F31-R47 VanDerWaalsContact CE2-CB 3.47Å; F31-R47 HydrophobicContact CE2-CG 3.69Å; F31-R47 HydrophobicContact CG-CB 4.12Å; F31-R47 HydrophobicContact CZ-CB 3.34Å; F31-R47 HydrophobicContact CZ-CG 3.93Å; F31-R47 PolarHBondContact N-O 3.23Å; F31-R47 PolarHBondContact O-N 3.21Å; Q33-R47 HydrophobicContact CB-CG 3.8Å |
| 48 | K | 91.4 | Very high | 81.7 | Confident | 161 Ų | 161 | 63 Ų | 63 | 70% | 0.7 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.2 | 171.8 | -51 | -151.6 | 178 | -170.5 | 0 | 110 | S29 R30 | S29-K48 CarbonylContact O-C 3.48Å; S29-K48 WeakPolarHBondContact O-CA 3.45Å; R30-K48 HydrophobicContact CG-CD 4.39Å; R30-K48 HydrophobicContact CG-CG 4.05Å |
| 49 | C | 90.1 | Very high | 81.9 | Confident | 12 Ų | 12 | 63.2 Ų | 63.2 | 8% | 0.081 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 159.8 | 165.3 | -72.7 | 0 | 0 | 0 | 0 | 111.3 | S29 F53 C62 | S29-C49 PolarHBondContact O-N 2.78Å; C49-F53 HydrophobicContact CB-CB 3.99Å; C49-F53 WeakPolarHBondContact CB-O 2.96Å; C49-C62 WeakPolarHBondContact CA-SG 3.3Å; C49-C62 HydrophobicContact CB-CB 3.69Å; C49-C62 WeakPolarHBondContact CB-SG 3.33Å; C49-C62 WeakPolarHBondContact SG-CB 3.19Å; C49-C62 CovalentContact SG-SG 2.04Å; C49-C62 PolarHBondContact SG-SG 2.85Å |
| 50 | P | 88.8 | Confident | 82.9 | Confident | 58 Ų | 58 | 63.2 Ų | 63.2 | 38% | 0.377 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 153.6 | 170.4 | -24.2 | 34.2 | 0 | 0 | 0 | 112.2 | G52 F53 | P50-G52 PolarHBondContact O-N 2.87Å; P50-F53 HydrophobicContact CB-CB 4.44Å; P50-F53 HydrophobicContact CB-CD2 3.94Å; P50-F53 HydrophobicContact CB-CG 4.22Å; P50-F53 HydrophobicContact CG-CG 4.44Å; P50-F53 WeakPolarHBondContact O-CB 3.34Å; P50-F53 PolarHBondContact O-N 3.08Å |
| 51 | P | 84.8 | Confident | 84 | Confident | 134 Ų | 134 | 62.5 Ų | 62.5 | 87% | 0.87 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 129.3 | 175.1 | -26.6 | 35.5 | 0 | 0 | 0 | 111.9 | ||
| 52 | G | 83.3 | Confident | 84.8 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 59% | 0.588 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 6.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P50 S64 A65 | P50-G52 PolarHBondContact O-N 2.87Å; G52-S64 WeakPolarHBondContact O-CA 3.29Å; G52-A65 WeakPolarHBondContact O-CB 3.23Å; G52-A65 PolarHBondContact O-N 3.1Å |
| 53 | F | 90.4 | Very high | 85 | Confident | 45 Ų | 45 | 63 Ų | 63 | 20% | 0.197 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 146.9 | 176.6 | -69.6 | -121.2 | 0 | 0 | 0 | 111.6 | C49 P50 C62 K63 S64 | C49-F53 HydrophobicContact CB-CB 3.99Å; C49-F53 WeakPolarHBondContact CB-O 2.96Å; P50-F53 HydrophobicContact CB-CB 4.44Å; P50-F53 HydrophobicContact CB-CD2 3.94Å; P50-F53 HydrophobicContact CB-CG 4.22Å; P50-F53 HydrophobicContact CG-CG 4.44Å; P50-F53 WeakPolarHBondContact O-CB 3.34Å; P50-F53 PolarHBondContact O-N 3.08Å; F53-C62 HydrophobicContact CB-CB 4.16Å; F53-C62 HydrophobicContact CD1-CB 4.42Å; F53-K63 CarbonylContact C-O 3.49Å; F53-K63 WeakPolarHBondContact CA-O 2.97Å; F53-K63 WeakPolarHBondContact CB-O 3.36Å; F53-S64 VanDerWaalsContact CD1-N 3.27Å |
| 54 | V | 89.1 | Confident | 85.1 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 13% | 0.127 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 154.9 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 110.6 | Q28 E56 C62 K63 A65 V68 | Q28-V54 HydrophobicContact CB-CB 4.01Å; Q28-V54 HydrophobicContact CB-CG1 3.74Å; Q28-V54 CarbonylContact O-C 3.48Å; Q28-V54 VanDerWaalsContact O-CA 3.23Å; Q28-V54 WeakPolarHBondContact O-CA 3.23Å; V54-E56 PolarHBondContact O-N 2.03Å; V54-C62 CarbonylContact O-C 3.5Å; V54-C62 WeakPolarHBondContact O-CA 3.4Å; V54-K63 PolarHBondContact N-O 3.36Å; V54-K63 PolarHBondContact O-N 2.98Å; V54-A65 HydrophobicContact CG1-CB 4.18Å; V54-V68 HydrophobicContact CG2-CB 4.31Å; V54-V68 HydrophobicContact CG2-CG2 3.79Å |
| 55 | F | 87.4 | Confident | 84.9 | Confident | 18 Ų | 18 | 62.5 Ų | 62.5 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 112.2 | -178.4 | -172.3 | -106.7 | 0 | 0 | 0 | 112.4 | A21 A23 Q28 F31 A57 | A21-F55 HydrophobicContact CB-CE1 4.38Å; A21-F55 HydrophobicContact CB-CE2 4.39Å; A21-F55 HydrophobicContact CB-CZ 3.68Å; A21-F55 WeakPolarHBondContact O-CE1 3.47Å; A23-F55 HydrophobicContact CB-CD1 4.17Å; Q28-F55 PolarHBondContact O-N 2.03Å; F31-F55 HydrophobicContact CB-CB 4.14Å; F31-F55 HydrophobicContact CB-CD1 3.71Å; F31-F55 HydrophobicContact CB-CD2 3.78Å; F31-F55 HydrophobicContact CB-CE1 4.01Å; F31-F55 HydrophobicContact CB-CE2 4.08Å; F31-F55 HydrophobicContact CB-CG 3.59Å; F31-F55 HydrophobicContact CB-CZ 4.2Å; F31-F55 HydrophobicContact CD1-CB 4.25Å; F31-F55 AromaticContact CD1-CD2 3.54Å; F31-F55 HydrophobicContact CD1-CD2 3.54Å; F31-F55 HydrophobicContact CD1-CE2 4.11Å; F31-F55 HydrophobicContact CD1-CG 4Å; F31-F55 HydrophobicContact CD2-CD2 4.09Å; F31-F55 AromaticContact CD2-CE2 3.82Å; F31-F55 HydrophobicContact CD2-CE2 3.82Å; F31-F55 HydrophobicContact CD2-CZ 4.24Å; F31-F55 HydrophobicContact CE1-CD2 4.06Å; F31-F55 HydrophobicContact CE1-CE2 4.48Å; F31-F55 HydrophobicContact CE2-CE2 4.18Å; F31-F55 HydrophobicContact CG-CD1 4.4Å; F31-F55 AromaticContact CG-CD2 3.55Å; F31-F55 HydrophobicContact CG-CD2 3.55Å; F31-F55 AromaticContact CG-CE2 3.76Å; F31-F55 HydrophobicContact CG-CE2 3.76Å; F31-F55 AromaticContact CG-CG 3.91Å; F31-F55 HydrophobicContact CG-CG 3.91Å; F31-F55 HydrophobicContact CG-CZ 4.28Å; F31-F55 HydrophobicContact CZ-CE2 4.49Å; F55-A57 HydrophobicContact CD1-CB 4.09Å; F55-A57 HydrophobicContact CE1-CB 3.86Å; F55-A57 PolarHBondContact O-N 2.83Å |
| 56 | E | 83.4 | Confident | 84.7 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 84.9 | 175.8 | -174.8 | -179.5 | -137.4 | 0 | 0 | 108.7 | V54 T58 K59 Q60 R61 K63 | V54-E56 PolarHBondContact O-N 2.03Å; E56-T58 VanDerWaalsContact C-N 3.29Å; E56-T58 PolarHBondContact O-N 3.42Å; E56-K59 HydrophobicContact CG-CB 4Å; E56-K59 HydrophobicContact CG-CD 4.47Å; E56-K59 HydrophobicContact CG-CG 3.91Å; E56-K59 CarbonylContact O-C 3.55Å; E56-K59 WeakPolarHBondContact O-CA 3.32Å; E56-K59 PolarHBondContact O-N 3.37Å; E56-K59 WeakPolarHBondContact OE1-CE 3.43Å; E56-K59 WeakPolarHBondContact OE2-CB 3.44Å; E56-K59 WeakPolarHBondContact OE2-CD 3.37Å; E56-Q60 PolarHBondContact O-N 3.09Å; E56-R61 PolarHBondContact N-O 3Å; E56-R61 IonicContact OE2-CZ 2.68Å; E56-R61 IonicContact OE2-NE 3.04Å; E56-R61 PolarHBondContact OE2-NE 3.46Å; E56-R61 IonicContact OE2-NH2 3.22Å; E56-R61 PolarHBondContact OE2-NH2 2.94Å; E56-K63 HydrophobicContact CB-CB 4.29Å; E56-K63 HydrophobicContact CB-CD 4.5Å; E56-K63 VanDerWaalsContact CD-CD 3.44Å; E56-K63 HydrophobicContact CG-CD 4.45Å; E56-K63 WeakPolarHBondContact OE1-CD 3.06Å; E56-K63 IonicContact OE1-NZ 2.69Å; E56-K63 PolarHBondContact OE1-NZ 2.8Å; E56-K63 VanDerWaalsContact OE2-CD 3.26Å; E56-K63 WeakPolarHBondContact OE2-CD 3.01Å; E56-K63 IonicContact OE2-NZ 3.82Å |
| 57 | A | 74.3 | Confident | 84.2 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 38% | 0.38 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -56.8 | -36.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F55 K59 Q60 | F55-A57 HydrophobicContact CD1-CB 4.09Å; F55-A57 HydrophobicContact CE1-CB 3.86Å; F55-A57 PolarHBondContact O-N 2.83Å; A57-K59 PolarHBondContact O-N 3.06Å; A57-Q60 PolarHBondContact O-N 3.32Å; A57-Q60 PolarHBondContact O-NE2 3.17Å |
| 58 | T | 68.6 | Low | 83.3 | Confident | 133 Ų | 133 | 63.5 Ų | 63.5 | 82% | 0.816 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -64.2 | -18 | 174.6 | 46.5 | 0 | 0 | 0 | 0 | 114 | E56 | E56-T58 VanDerWaalsContact C-N 3.29Å; E56-T58 PolarHBondContact O-N 3.42Å |
| 59 | K | 77.6 | Confident | 82.6 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -120.5 | 13 | 176.9 | -48.6 | -159 | -164.9 | -151.1 | 0 | 112.9 | E56 A57 R61 | E56-K59 HydrophobicContact CG-CB 4Å; E56-K59 HydrophobicContact CG-CD 4.47Å; E56-K59 HydrophobicContact CG-CG 3.91Å; E56-K59 CarbonylContact O-C 3.55Å; E56-K59 WeakPolarHBondContact O-CA 3.32Å; E56-K59 PolarHBondContact O-N 3.37Å; E56-K59 WeakPolarHBondContact OE1-CE 3.43Å; E56-K59 WeakPolarHBondContact OE2-CB 3.44Å; E56-K59 WeakPolarHBondContact OE2-CD 3.37Å; A57-K59 PolarHBondContact O-N 3.06Å; K59-R61 HydrophobicContact CB-CG 4.08Å; K59-R61 WeakPolarHBondContact O-CB 3.48Å; K59-R61 WeakPolarHBondContact O-CD 3.03Å; K59-R61 VanDerWaalsContact O-CG 3.29Å; K59-R61 WeakPolarHBondContact O-CG 3.36Å; K59-R61 PolarHBondContact O-N 2.87Å; K59-R61 VanDerWaalsContact O-N 3.1Å |
| 60 | Q | 84.1 | Confident | 81.8 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 35.2 | 173.5 | -70 | -67.4 | -67.7 | 0 | 0 | 114.8 | Y20 A21 E56 A57 | Y20-Q60 HydrophobicContact CD1-CG 3.81Å; Y20-Q60 HydrophobicContact CE1-CG 4.47Å; A21-Q60 PolarHBondContact O-NE2 3.4Å; E56-Q60 PolarHBondContact O-N 3.09Å; A57-Q60 PolarHBondContact O-N 3.32Å; A57-Q60 PolarHBondContact O-NE2 3.17Å |
| 61 | R | 86.8 | Confident | 80.8 | Confident | 127 Ų | 127 | 70.7 Ų | 70.7 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 158.5 | -170.7 | 70.2 | -166.5 | -175.6 | 163 | 4.5 | 113.3 | E56 K59 | E56-R61 PolarHBondContact N-O 3Å; E56-R61 IonicContact OE2-CZ 2.68Å; E56-R61 IonicContact OE2-NE 3.04Å; E56-R61 PolarHBondContact OE2-NE 3.46Å; E56-R61 IonicContact OE2-NH2 3.22Å; E56-R61 PolarHBondContact OE2-NH2 2.94Å; K59-R61 HydrophobicContact CB-CG 4.08Å; K59-R61 WeakPolarHBondContact O-CB 3.48Å; K59-R61 WeakPolarHBondContact O-CD 3.03Å; K59-R61 VanDerWaalsContact O-CG 3.29Å; K59-R61 WeakPolarHBondContact O-CG 3.36Å; K59-R61 PolarHBondContact O-N 2.87Å; K59-R61 VanDerWaalsContact O-N 3.1Å |
| 62 | C | 88.5 | Confident | 80 | Confident | 37 Ų | 37 | 70 Ų | 70 | 25% | 0.25 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 138.8 | 167.3 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | F31 C49 F53 V54 | F31-C62 VanDerWaalsContact CE1-SG 3.59Å; C49-C62 WeakPolarHBondContact CA-SG 3.3Å; C49-C62 HydrophobicContact CB-CB 3.69Å; C49-C62 WeakPolarHBondContact CB-SG 3.33Å; C49-C62 WeakPolarHBondContact SG-CB 3.19Å; C49-C62 CovalentContact SG-SG 2.04Å; C49-C62 PolarHBondContact SG-SG 2.85Å; F53-C62 HydrophobicContact CB-CB 4.16Å; F53-C62 HydrophobicContact CD1-CB 4.42Å; V54-C62 CarbonylContact O-C 3.5Å; V54-C62 WeakPolarHBondContact O-CA 3.4Å |
| 63 | K | 85.8 | Confident | 79.4 | Confident | 31 Ų | 31 | 69.9 Ų | 69.9 | 14% | 0.135 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.6 | 179.8 | -178.1 | 172.3 | 176.1 | -170.2 | 0 | 109.7 | F53 V54 E56 A65 A67 V68 | F53-K63 CarbonylContact C-O 3.49Å; F53-K63 WeakPolarHBondContact CA-O 2.97Å; F53-K63 WeakPolarHBondContact CB-O 3.36Å; V54-K63 PolarHBondContact N-O 3.36Å; V54-K63 PolarHBondContact O-N 2.98Å; E56-K63 HydrophobicContact CB-CB 4.29Å; E56-K63 HydrophobicContact CB-CD 4.5Å; E56-K63 VanDerWaalsContact CD-CD 3.44Å; E56-K63 HydrophobicContact CG-CD 4.45Å; E56-K63 WeakPolarHBondContact OE1-CD 3.06Å; E56-K63 IonicContact OE1-NZ 2.69Å; E56-K63 PolarHBondContact OE1-NZ 2.8Å; E56-K63 VanDerWaalsContact OE2-CD 3.26Å; E56-K63 WeakPolarHBondContact OE2-CD 3.01Å; E56-K63 IonicContact OE2-NZ 3.82Å; K63-A65 PolarHBondContact O-N 2.88Å; K63-A67 HydrophobicContact CG-CB 4.35Å; K63-V68 HydrophobicContact CB-CG2 4.27Å; K63-V68 HydrophobicContact CD-CG2 3.87Å; K63-V68 HydrophobicContact CG-CG2 3.97Å |
| 64 | S | 84.8 | Confident | 78.2 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 28% | 0.28 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 134.5 | -176.9 | 60.6 | 0 | 0 | 0 | 0 | 110.7 | G52 F53 E66 A67 V68 | G52-S64 WeakPolarHBondContact O-CA 3.29Å; F53-S64 VanDerWaalsContact CD1-N 3.27Å; S64-E66 PolarHBondContact O-N 2.85Å; S64-A67 PolarHBondContact O-N 3.09Å; S64-A67 WeakPolarHBondContact OG-CB 3.46Å; S64-A67 PolarHBondContact OG-N 2.03Å; S64-V68 PolarHBondContact O-N 2.03Å |
| 65 | A | 80.1 | Confident | 77 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.6 | -31.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G52 V54 K63 R69 | G52-A65 WeakPolarHBondContact O-CB 3.23Å; G52-A65 PolarHBondContact O-N 3.1Å; V54-A65 HydrophobicContact CG1-CB 4.18Å; K63-A65 PolarHBondContact O-N 2.88Å; A65-R69 VanDerWaalsContact O-CB 3.31Å; A65-R69 WeakPolarHBondContact O-CB 3.41Å; A65-R69 PolarHBondContact O-N 2.81Å |
| 66 | E | 80.5 | Confident | 76 | Confident | 116 Ų | 116 | 80 Ų | 80 | 54% | 0.542 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 173.7 | -167.8 | 175.5 | 170.7 | 0 | 0 | 113 | S64 V68 R69 R70 | S64-E66 PolarHBondContact O-N 2.85Å; E66-V68 VanDerWaalsContact C-N 3.33Å; E66-V68 PolarHBondContact O-N 2.92Å; E66-R69 PolarHBondContact O-N 2.04Å; E66-R70 HydrophobicContact CG-CG 4.22Å; E66-R70 VanDerWaalsContact O-CB 3.3Å; E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 VanDerWaalsContact O-CG 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3Å; E66-R70 PolarHBondContact O-N 2.93Å; E66-R70 IonicContact OE1-CZ 3.2Å; E66-R70 IonicContact OE1-NE 2.94Å; E66-R70 PolarHBondContact OE1-NE 3.48Å; E66-R70 IonicContact OE1-NH2 2.66Å; E66-R70 PolarHBondContact OE1-NH2 3.47Å |
| 67 | A | 78.1 | Confident | 75.5 | Confident | 35 Ų | 35 | 86.2 Ų | 86.2 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K63 S64 Q71 | K63-A67 HydrophobicContact CG-CB 4.35Å; S64-A67 PolarHBondContact O-N 3.09Å; S64-A67 WeakPolarHBondContact OG-CB 3.46Å; S64-A67 PolarHBondContact OG-N 2.03Å; A67-Q71 WeakPolarHBondContact O-CB 3.05Å; A67-Q71 PolarHBondContact O-N 3.27Å |
| 68 | V | 71.6 | Confident | 75.1 | Confident | 28 Ų | 28 | 87.5 Ų | 87.5 | 17% | 0.17 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64 | -46.6 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | V54 K63 S64 E66 Q71 Q72 | V54-V68 HydrophobicContact CG2-CB 4.31Å; V54-V68 HydrophobicContact CG2-CG2 3.79Å; K63-V68 HydrophobicContact CB-CG2 4.27Å; K63-V68 HydrophobicContact CD-CG2 3.87Å; K63-V68 HydrophobicContact CG-CG2 3.97Å; S64-V68 PolarHBondContact O-N 2.03Å; E66-V68 VanDerWaalsContact C-N 3.33Å; E66-V68 PolarHBondContact O-N 2.92Å; V68-Q71 PolarHBondContact O-N 2.85Å; V68-Q72 HydrophobicContact CG1-CG 4.5Å; V68-Q72 WeakPolarHBondContact O-CB 3.47Å; V68-Q72 VanDerWaalsContact O-CG 3.32Å; V68-Q72 WeakPolarHBondContact O-CG 3.42Å; V68-Q72 PolarHBondContact O-N 3.08Å |
| 69 | R | 75.9 | Confident | 74.7 | Confident | 187 Ų | 187 | 85.2 Ų | 85.2 | 71% | 0.706 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.2 | -43.2 | 179.2 | -168.9 | -178.6 | -68.3 | 179.2 | -2.6 | 112.6 | A65 E66 Q72 S73 | A65-R69 VanDerWaalsContact O-CB 3.31Å; A65-R69 WeakPolarHBondContact O-CB 3.41Å; A65-R69 PolarHBondContact O-N 2.81Å; E66-R69 PolarHBondContact O-N 2.04Å; R69-Q72 PolarHBondContact O-N 3.47Å; R69-S73 PolarHBondContact O-N 3.41Å; R69-S73 PolarHBondContact O-OG 2.81Å |
| 70 | R | 74.2 | Confident | 74.2 | Confident | 154 Ų | 154 | 85.9 Ų | 85.9 | 58% | 0.581 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.3 | -44.1 | 174.7 | -73.4 | 178.5 | -175.2 | -154.5 | 6.6 | 111.3 | E66 S73 L74 | E66-R70 HydrophobicContact CG-CG 4.22Å; E66-R70 VanDerWaalsContact O-CB 3.3Å; E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 VanDerWaalsContact O-CG 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3Å; E66-R70 PolarHBondContact O-N 2.93Å; E66-R70 IonicContact OE1-CZ 3.2Å; E66-R70 IonicContact OE1-NE 2.94Å; E66-R70 PolarHBondContact OE1-NE 3.48Å; E66-R70 IonicContact OE1-NH2 2.66Å; E66-R70 PolarHBondContact OE1-NH2 3.47Å; R70-S73 WeakPolarHBondContact CA-OG 3.18Å; R70-S73 PolarHBondContact O-N 3.2Å; R70-S73 PolarHBondContact O-OG 3.28Å; R70-L74 PolarHBondContact O-N 3.15Å |
| 71 | Q | 67.6 | Low | 73.2 | Confident | 40 Ų | 40 | 83.2 Ų | 83.2 | 19% | 0.187 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.3 | -176.4 | -167.9 | 1.9 | 0 | 0 | 111.3 | A67 V68 S73 L74 C75 G83 | A67-Q71 WeakPolarHBondContact O-CB 3.05Å; A67-Q71 PolarHBondContact O-N 3.27Å; V68-Q71 PolarHBondContact O-N 2.85Å; Q71-S73 VanDerWaalsContact C-N 3.34Å; Q71-S73 PolarHBondContact O-N 2.78Å; Q71-L74 WeakPolarHBondContact O-CB 3.16Å; Q71-L74 PolarHBondContact O-N 3.12Å; Q71-L74 VanDerWaalsContact O-N 3.11Å; Q71-C75 PolarHBondContact O-N 2.88Å; Q71-C75 PolarHBondContact O-SG 3.13Å; Q71-G83 PolarHBondContact NE2-O 2.94Å |
| 72 | Q | 67.3 | Low | 71.8 | Confident | 119 Ų | 119 | 86 Ų | 86 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -57 | -45.2 | 174.5 | -76.9 | 170.4 | -26.6 | 0 | 0 | 111.9 | V68 R69 C75 Q76 | V68-Q72 HydrophobicContact CG1-CG 4.5Å; V68-Q72 WeakPolarHBondContact O-CB 3.47Å; V68-Q72 VanDerWaalsContact O-CG 3.32Å; V68-Q72 WeakPolarHBondContact O-CG 3.42Å; V68-Q72 PolarHBondContact O-N 3.08Å; R69-Q72 PolarHBondContact O-N 3.47Å; Q72-C75 PolarHBondContact O-N 2.98Å; Q72-Q76 WeakPolarHBondContact O-CG 3.23Å; Q72-Q76 PolarHBondContact O-N 2.82Å |
| 73 | S | 72 | Confident | 70.1 | Confident | 56 Ų | 56 | 86.1 Ų | 86.1 | 39% | 0.392 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 174.4 | 50.4 | 0 | 0 | 0 | 0 | 113.5 | R69 R70 Q71 Q76 L77 | R69-S73 PolarHBondContact O-N 3.41Å; R69-S73 PolarHBondContact O-OG 2.81Å; R70-S73 WeakPolarHBondContact CA-OG 3.18Å; R70-S73 PolarHBondContact O-N 3.2Å; R70-S73 PolarHBondContact O-OG 3.28Å; Q71-S73 VanDerWaalsContact C-N 3.34Å; Q71-S73 PolarHBondContact O-N 2.78Å; S73-Q76 PolarHBondContact O-N 3.26Å; S73-L77 WeakPolarHBondContact O-CG 2.95Å; S73-L77 PolarHBondContact O-N 2.93Å |
| 74 | L | 65.4 | Low | 68.7 | Low | 96 Ų | 96 | 85.2 Ų | 85.2 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 173.5 | -98.4 | 137.4 | 0 | 0 | 0 | 111.4 | R70 Q71 Q76 L77 D78 A81 | R70-L74 PolarHBondContact O-N 3.15Å; Q71-L74 WeakPolarHBondContact O-CB 3.16Å; Q71-L74 PolarHBondContact O-N 3.12Å; Q71-L74 VanDerWaalsContact O-N 3.11Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 3Å; L74-L77 PolarHBondContact O-N 2.76Å; L74-D78 PolarHBondContact O-N 2.03Å; L74-A81 HydrophobicContact CD2-CB 4.45Å |
| 75 | C | 62.4 | Low | 67.1 | Low | 30 Ų | 30 | 87.4 Ų | 87.4 | 20% | 0.203 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -74.6 | -16 | 179.8 | -49.7 | 0 | 0 | 0 | 0 | 114 | Q71 Q72 C84 | Q71-C75 PolarHBondContact O-N 2.88Å; Q71-C75 PolarHBondContact O-SG 3.13Å; Q72-C75 PolarHBondContact O-N 2.98Å; C75-C84 WeakPolarHBondContact CA-SG 3.44Å; C75-C84 HydrophobicContact CB-CB 3.92Å; C75-C84 WeakPolarHBondContact CB-SG 3.41Å; C75-C84 WeakPolarHBondContact SG-CA 3.42Å; C75-C84 WeakPolarHBondContact SG-CB 3.29Å; C75-C84 CovalentContact SG-SG 2.03Å; C75-C84 PolarHBondContact SG-SG 2.9Å |
| 76 | Q | 67.5 | Low | 65.4 | Low | 170 Ų | 170 | 90.9 Ų | 90.9 | 79% | 0.794 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -79.4 | -19.8 | 166.4 | -75.9 | -177.4 | -44.9 | 0 | 0 | 113 | Q72 S73 L74 | Q72-Q76 WeakPolarHBondContact O-CG 3.23Å; Q72-Q76 PolarHBondContact O-N 2.82Å; S73-Q76 PolarHBondContact O-N 3.26Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 3Å |
| 77 | L | 72 | Confident | 63.6 | Low | 153 Ų | 153 | 90.3 Ų | 90.3 | 80% | 0.801 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -95.9 | -41.1 | 178 | -69.6 | 167.3 | 0 | 0 | 0 | 112.2 | S73 L74 | S73-L77 WeakPolarHBondContact O-CG 2.95Å; S73-L77 PolarHBondContact O-N 2.93Å; L74-L77 PolarHBondContact O-N 2.76Å |
| 78 | D | 67.3 | Low | 61.9 | Low | 72 Ų | 72 | 91.5 Ų | 91.5 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | trans | -142.9 | 104.8 | 175.6 | 176.8 | 16.1 | 0 | 0 | 0 | 110.6 | L74 N80 A81 | L74-D78 PolarHBondContact O-N 2.03Å; D78-N80 PolarHBondContact O-N 3.47Å; D78-N80 WeakPolarHBondContact OD1-CA 3.32Å; D78-N80 WeakPolarHBondContact OD1-CB 2.97Å; D78-N80 PolarHBondContact OD1-N 2.84Å; D78-A81 HydrophobicContact CB-CB 4.14Å; D78-A81 WeakPolarHBondContact O-CB 3.49Å; D78-A81 PolarHBondContact O-N 3.1Å; D78-A81 PolarHBondContact OD2-N 2.9Å | ||
| 79 | P | 60.1 | Low | 60.9 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -18.3 | 174.4 | -24.8 | 35.5 | 0 | 0 | 0 | 114.7 | Q86 | P79-Q86 PolarHBondContact O-NE2 2.04Å; P79-Q86 VanDerWaalsContact O-NE2 3.16Å |
| 80 | N | 65.3 | Low | 59.8 | Low | 116 Ų | 116 | 86.8 Ų | 86.8 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -2 | -179 | -60.9 | -42.6 | 0 | 0 | 0 | 113.7 | D78 Q86 | D78-N80 PolarHBondContact O-N 3.47Å; D78-N80 WeakPolarHBondContact OD1-CA 3.32Å; D78-N80 WeakPolarHBondContact OD1-CB 2.97Å; D78-N80 PolarHBondContact OD1-N 2.84Å; N80-Q86 PolarHBondContact OD1-NE2 3.1Å |
| 81 | A | 63.6 | Low | 58.8 | Low | 19 Ų | 19 | 83.2 Ų | 83.2 | 16% | 0.157 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -61.3 | 139.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L74 D78 G83 C84 | L74-A81 HydrophobicContact CD2-CB 4.45Å; D78-A81 HydrophobicContact CB-CB 4.14Å; D78-A81 WeakPolarHBondContact O-CB 3.49Å; D78-A81 PolarHBondContact O-N 3.1Å; D78-A81 PolarHBondContact OD2-N 2.9Å; A81-G83 PolarHBondContact O-N 3.47Å; A81-G83 VanDerWaalsContact O-N 3.13Å; A81-C84 VanDerWaalsContact O-CB 3.28Å; A81-C84 WeakPolarHBondContact O-CB 3.06Å; A81-C84 PolarHBondContact O-N 3.31Å |
| 82 | I | 58.6 | Low | 58.1 | Low | 185 Ų | 185 | 85 Ų | 85 | 95% | 0.949 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 120.8 | -176.9 | -63 | 174.4 | 0 | 0 | 0 | 110.4 | ||
| 83 | G | 52.4 | Low | 57.1 | Low | 40 Ų | 40 | 87 Ų | 87 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -9.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q71 A81 | Q71-G83 PolarHBondContact NE2-O 2.94Å; A81-G83 PolarHBondContact O-N 3.47Å; A81-G83 VanDerWaalsContact O-N 3.13Å |
| 84 | C | 56.2 | Low | 55.9 | Low | 12 Ų | 12 | 89.6 Ų | 89.6 | 8% | 0.081 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -59.6 | 145.9 | 157.7 | -70.8 | 0 | 0 | 0 | 0 | 109.8 | C75 A81 Q86 | C75-C84 WeakPolarHBondContact CA-SG 3.44Å; C75-C84 HydrophobicContact CB-CB 3.92Å; C75-C84 WeakPolarHBondContact CB-SG 3.41Å; C75-C84 WeakPolarHBondContact SG-CA 3.42Å; C75-C84 WeakPolarHBondContact SG-CB 3.29Å; C75-C84 CovalentContact SG-SG 2.03Å; C75-C84 PolarHBondContact SG-SG 2.9Å; A81-C84 VanDerWaalsContact O-CB 3.28Å; A81-C84 WeakPolarHBondContact O-CB 3.06Å; A81-C84 PolarHBondContact O-N 3.31Å; C84-Q86 VanDerWaalsContact C-N 3.33Å; C84-Q86 PolarHBondContact O-N 2.8Å |
| 85 | P | 50.2 | Low | 55.4 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | trans | -63.1 | 104.4 | 166.6 | 28.2 | -30.8 | 0 | 0 | 0 | 106.3 | V87 | P85-V87 VanDerWaalsContact C-N 3.32Å; P85-V87 PolarHBondContact O-N 3.28Å | ||
| 86 | Q | 45.2 | Very low | 55.6 | Low | 109 Ų | 109 | 95.8 Ų | 95.8 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | trans | -57.2 | 106.8 | 163.7 | -78.5 | -79.6 | -85.3 | 0 | 0 | 105.6 | P79 N80 C84 S88 Q131 | P79-Q86 PolarHBondContact O-NE2 2.04Å; P79-Q86 VanDerWaalsContact O-NE2 3.16Å; N80-Q86 PolarHBondContact OD1-NE2 3.1Å; C84-Q86 VanDerWaalsContact C-N 3.33Å; C84-Q86 PolarHBondContact O-N 2.8Å; Q86-S88 PolarHBondContact O-N 3Å; Q86-Q131 PolarHBondContact O-NE2 2.81Å | ||
| 87 | V | 42.9 | Very low | 55.6 | Low | 105 Ų | 105 | 89.4 Ų | 89.4 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | trans | -72.9 | 83.2 | 170.9 | -173 | 0 | 0 | 0 | 0 | 104.8 | P85 V89 | P85-V87 VanDerWaalsContact C-N 3.32Å; P85-V87 PolarHBondContact O-N 3.28Å; V87-V89 HydrophobicContact CG1-CG2 3.79Å; V87-V89 PolarHBondContact O-N 3.26Å | ||
| 88 | S | 42.5 | Very low | 55.9 | Low | 59 Ų | 59 | 85.6 Ų | 85.6 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | trans | -63.4 | 82.1 | 160.2 | 37.8 | 0 | 0 | 0 | 0 | 105.9 | Q86 C90 | Q86-S88 PolarHBondContact O-N 3Å; S88-C90 VanDerWaalsContact C-N 3.3Å; S88-C90 PolarHBondContact O-N 3.27Å | ||
| 89 | V | 50.1 | Low | 56.5 | Low | 113 Ų | 113 | 84.7 Ų | 84.7 | 69% | 0.685 | 50% | 0.503 | S | S | * | . | trans | -54.8 | 98.9 | 179 | 179.2 | 0 | 0 | 0 | 0 | 106.4 | V87 P91 | V87-V89 HydrophobicContact CG1-CG2 3.79Å; V87-V89 PolarHBondContact O-N 3.26Å; V89-P91 WeakPolarHBondContact O-CD 2.99Å | ||
| 90 | C | 52.7 | Low | 57.4 | Low | 4 Ų | 4 | 83.2 Ų | 83.2 | 3% | 0.027 | 50% | 0.504 | C | S | . | . | trans | -52.9 | 128.6 | 176.2 | -56.2 | 0 | 0 | 0 | 0 | 106.2 | S88 T92 H104 Q131 C132 | S88-C90 VanDerWaalsContact C-N 3.3Å; S88-C90 PolarHBondContact O-N 3.27Å; C90-T92 HydrophobicContact CB-CG2 4.18Å; C90-T92 PolarHBondContact O-N 3.42Å; C90-T92 PolarHBondContact O-OG1 2.76Å; C90-H104 HydrophobicContact CB-CB 4.38Å; C90-H104 VanDerWaalsContact SG-CD2 3.56Å; C90-Q131 VanDerWaalsContact SG-C 3.53Å; C90-Q131 PolarHBondContact SG-O 3.32Å; C90-Q131 VanDerWaalsContact SG-O 3.41Å; C90-C132 WeakPolarHBondContact CA-SG 2.97Å; C90-C132 HydrophobicContact CB-CB 3.94Å; C90-C132 WeakPolarHBondContact CB-SG 3.27Å; C90-C132 WeakPolarHBondContact SG-CA 3.35Å; C90-C132 WeakPolarHBondContact SG-CB 3.03Å; C90-C132 CovalentContact SG-SG 2.04Å; C90-C132 PolarHBondContact SG-SG 3.21Å | ||
| 91 | P | 54 | Low | 58 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 51% | 0.506 | 48% | 0.479 | S | S | . | . | trans | -70.3 | 63.7 | -175.2 | -23.9 | 35.6 | 0 | 0 | 0 | 113.3 | V89 L93 | V89-P91 WeakPolarHBondContact O-CD 2.99Å; P91-L93 PolarHBondContact O-N 3.11Å | ||
| 92 | T | 52.5 | Low | 58.5 | Low | 77 Ų | 77 | 80.9 Ų | 80.9 | 47% | 0.472 | 49% | 0.491 | S | S | . | . | trans | -78.5 | 47 | 175.4 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | C90 M94 H104 | C90-T92 HydrophobicContact CB-CG2 4.18Å; C90-T92 PolarHBondContact O-N 3.42Å; C90-T92 PolarHBondContact O-OG1 2.76Å; T92-M94 PolarHBondContact O-N 2.94Å; T92-H104 HydrophobicContact CG2-CB 4.17Å | ||
| 93 | L | 46 | Very low | 59 | Low | 163 Ų | 163 | 72.2 Ų | 72.2 | 85% | 0.853 | 45% | 0.446 | S | S | * | . | trans | -75.3 | -5.5 | 171 | -86.2 | 161.9 | 0 | 0 | 0 | 112.2 | P91 | P91-L93 PolarHBondContact O-N 3.11Š| ||
| 94 | M | 47.1 | Very low | 59.7 | Low | 110 Ų | 110 | 73 Ų | 73 | 54% | 0.542 | 44% | 0.439 | S | S | . | . | trans | -97.5 | 110.3 | 167.9 | -59 | -145.7 | -57.7 | 0 | 0 | 110.1 | T92 N96 V98 | T92-M94 PolarHBondContact O-N 2.94Å; M94-N96 PolarHBondContact O-N 2.99Å; M94-V98 HydrophobicContact CE-CB 4Å; M94-V98 HydrophobicContact CE-CG2 4.09Å | ||
| 95 | T | 55.6 | Low | 60.3 | Low | 140 Ų | 140 | 77.3 Ų | 77.3 | 86% | 0.859 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -70.8 | -12.7 | 172.5 | 41.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 96 | N | 65.3 | Low | 60.6 | Low | 116 Ų | 116 | 76.8 Ų | 76.8 | 62% | 0.62 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -110.5 | 134 | 173 | -73.9 | -38.1 | 0 | 0 | 0 | 110.6 | M94 | M94-N96 PolarHBondContact O-N 2.99Š|
| 97 | P | 67.8 | Low | 61.3 | Low | 35 Ų | 35 | 75.9 Ų | 75.9 | 23% | 0.227 | 45% | 0.454 | C | S | . | . | trans | -74.2 | 134.3 | 174.1 | 31.7 | -33.6 | 0 | 0 | 0 | 110.6 | A111 L121 W135 | P97-A111 HydrophobicContact CB-CB 4.02Å; P97-A111 HydrophobicContact CG-CB 3.39Å; P97-L121 VanDerWaalsContact C-CD1 3.47Å; P97-L121 HydrophobicContact CB-CD1 3.84Å; P97-L121 HydrophobicContact CG-CD1 4.32Å; P97-L121 WeakPolarHBondContact O-CD1 3.44Å; P97-W135 HydrophobicContact CB-CD2 3.87Å; P97-W135 VanDerWaalsContact CB-CE2 3.43Å; P97-W135 HydrophobicContact CB-CE3 4.36Å; P97-W135 HydrophobicContact CB-CG 4.37Å; P97-W135 HydrophobicContact CB-CH2 4.09Å; P97-W135 HydrophobicContact CB-CZ2 3.59Å; P97-W135 HydrophobicContact CB-CZ3 4.45Å | ||
| 98 | V | 79.4 | Confident | 62.1 | Low | 74 Ų | 74 | 72.2 Ų | 72.2 | 45% | 0.448 | 44% | 0.435 | S | S | . | . | trans | -142.4 | 138.2 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | M94 G100 G101 W135 | M94-V98 HydrophobicContact CE-CB 4Å; M94-V98 HydrophobicContact CE-CG2 4.09Å; V98-G100 PolarHBondContact O-N 3.46Å; V98-G101 WeakPolarHBondContact O-CA 3.35Å; V98-G101 PolarHBondContact O-N 2.82Å; V98-W135 VanDerWaalsContact O-CB 3.28Å; V98-W135 WeakPolarHBondContact O-CB 3.39Å | ||
| 99 | A | 79.6 | Confident | 62.9 | Low | 52 Ų | 52 | 71.1 Ų | 71.1 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 136.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G101 L121 W135 | A99-G101 PolarHBondContact O-N 2.91Å; A99-L121 HydrophobicContact CB-CD2 3.9Å; A99-W135 CarbonylContact C-O 3.5Å; A99-W135 WeakPolarHBondContact CA-O 3.33Å |
| 100 | G | 78.4 | Confident | 63.9 | Low | 55 Ų | 55 | 68.1 Ų | 68.1 | 57% | 0.567 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -10.6 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | V98 W135 | V98-G100 PolarHBondContact O-N 3.46Å; G100-W135 PolarHBondContact N-O 3.32Å |
| 101 | G | 78 | Confident | 64.7 | Low | 10 Ų | 10 | 68.5 Ų | 68.5 | 10% | 0.103 | 42% | 0.416 | C | S | . | . | trans | -77.5 | 151.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V98 A99 I134 W135 | V98-G101 WeakPolarHBondContact O-CA 3.35Å; V98-G101 PolarHBondContact O-N 2.82Å; A99-G101 PolarHBondContact O-N 2.91Å; G101-I134 WeakPolarHBondContact O-CA 3Å; G101-W135 VanDerWaalsContact O-CD1 3.26Å; G101-W135 PolarHBondContact O-N 2.04Å | ||
| 102 | N | 75.1 | Confident | 65.6 | Low | 76 Ų | 76 | 68.4 Ų | 68.4 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 142.6 | 176.3 | -68.5 | -17.7 | 0 | 0 | 0 | 112.1 | ||
| 103 | C | 68.3 | Low | 66.8 | Low | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.014 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.4 | 174 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | A108 C123 G133 I134 W135 | C103-A108 HydrophobicContact CB-CB 4.03Å; C103-C123 HydrophobicContact CB-CB 3.84Å; C103-C123 WeakPolarHBondContact CB-SG 3.46Å; C103-C123 WeakPolarHBondContact SG-CA 3.33Å; C103-C123 WeakPolarHBondContact SG-CB 3.2Å; C103-C123 CovalentContact SG-SG 2.02Å; C103-C123 PolarHBondContact SG-SG 3.28Å; C103-G133 PolarHBondContact N-O 3.02Å; C103-G133 PolarHBondContact O-N 3.28Å; C103-G133 PolarHBondContact SG-O 2.81Å; C103-G133 VanDerWaalsContact SG-O 3.41Å; C103-I134 PolarHBondContact SG-N 3.35Å; C103-I134 VanDerWaalsContact SG-N 3.36Å; C103-W135 HydrophobicContact CB-CD2 3.98Å; C103-W135 HydrophobicContact CB-CG 4.18Å; C103-W135 HydrophobicContact CB-CZ2 4.01Å |
| 104 | H | 68.1 | Low | 68 | Low | 58 Ų | 58 | 63 Ų | 63 | 27% | 0.269 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 108.8 | 173.9 | -176.6 | -88.2 | 0 | 0 | 0 | 108.1 | C90 T92 S106 T107 A108 Q131 | C90-H104 HydrophobicContact CB-CB 4.38Å; C90-H104 VanDerWaalsContact SG-CD2 3.56Å; T92-H104 HydrophobicContact CG2-CB 4.17Å; H104-S106 VanDerWaalsContact C-N 3.34Å; H104-S106 PolarHBondContact CE1-OG 3.01Å; H104-S106 PolarHBondContact ND1-OG 2.77Å; H104-S106 PolarHBondContact O-N 2.03Å; H104-T107 PolarHBondContact ND1-OG1 2.13Å; H104-T107 PolarHBondContact O-N 2.91Å; H104-T107 VanDerWaalsContact O-N 3.08Å; H104-T107 PolarHBondContact O-OG1 3.37Å; H104-A108 VanDerWaalsContact O-CB 3.29Å; H104-A108 WeakPolarHBondContact O-CB 3.48Å; H104-A108 PolarHBondContact O-N 3.3Å; H104-Q131 CarbonylContact C-O 3.56Å; H104-Q131 WeakPolarHBondContact CA-O 3.24Å |
| 105 | W | 67 | Low | 69.4 | Low | 101 Ų | 101 | 62 Ų | 62 | 38% | 0.383 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -39.6 | -160.1 | 158 | -97.6 | 0 | 0 | 0 | 113.5 | T107 C123 P125 Q131 | W105-T107 VanDerWaalsContact C-N 3.3Å; W105-T107 PolarHBondContact O-N 3.05Å; W105-C123 WeakPolarHBondContact CZ3-O 3.5Å; W105-P125 HydrophobicContact CB-CB 4.49Å; W105-P125 HydrophobicContact CD2-CB 3.85Å; W105-P125 HydrophobicContact CD2-CG 4.1Å; W105-P125 HydrophobicContact CE3-CB 4.03Å; W105-P125 HydrophobicContact CE3-CG 4.02Å; W105-P125 HydrophobicContact CG-CB 4.07Å; W105-P125 HydrophobicContact CH2-CG 4.18Å; W105-P125 HydrophobicContact CZ2-CG 4.25Å; W105-P125 VanDerWaalsContact CZ3-CD 3.47Å; W105-P125 HydrophobicContact CZ3-CG 4.08Å; W105-Q131 PolarHBondContact N-O 2.95Å |
| 106 | S | 57 | Low | 70.4 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 53% | 0.531 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.4 | -178.5 | 57.5 | 0 | 0 | 0 | 0 | 115.1 | H104 | H104-S106 VanDerWaalsContact C-N 3.34Å; H104-S106 PolarHBondContact CE1-OG 3.01Å; H104-S106 PolarHBondContact ND1-OG 2.77Å; H104-S106 PolarHBondContact O-N 2.03Å |
| 107 | T | 59.2 | Low | 70.7 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | -15.7 | -177.3 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | H104 W105 G109 | H104-T107 PolarHBondContact ND1-OG1 2.13Å; H104-T107 PolarHBondContact O-N 2.91Å; H104-T107 VanDerWaalsContact O-N 3.08Å; H104-T107 PolarHBondContact O-OG1 3.37Å; W105-T107 VanDerWaalsContact C-N 3.3Å; W105-T107 PolarHBondContact O-N 3.05Å; T107-G109 PolarHBondContact O-N 3.47Å; T107-G109 VanDerWaalsContact O-N 3.12Å |
| 108 | A | 59.8 | Low | 71 | Confident | 27 Ų | 27 | 59.5 Ų | 59.5 | 22% | 0.223 | 39% | 0.394 | C | S | . | . | trans | -74.7 | 95.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C103 H104 C123 W135 | C103-A108 HydrophobicContact CB-CB 4.03Å; H104-A108 VanDerWaalsContact O-CB 3.29Å; H104-A108 WeakPolarHBondContact O-CB 3.48Å; H104-A108 PolarHBondContact O-N 3.3Å; A108-C123 HydrophobicContact CB-CB 3.53Å; A108-W135 HydrophobicContact CB-CH2 3.65Å; A108-W135 HydrophobicContact CB-CZ2 3.93Å; A108-W135 HydrophobicContact CB-CZ3 4.27Å | ||
| 109 | G | 60.5 | Low | 70.7 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 38% | 0.381 | 37% | 0.373 | S | S | . | . | trans | -71.8 | 162.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T107 W135 | T107-G109 PolarHBondContact O-N 3.47Å; T107-G109 VanDerWaalsContact O-N 3.12Å; G109-W135 VanDerWaalsContact O-CH2 3.28Å; G109-W135 WeakPolarHBondContact O-CH2 3.23Å; G109-W135 WeakPolarHBondContact O-CZ3 3.32Å | ||
| 110 | L | 71.5 | Confident | 70.7 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | trans | -61.6 | 136.4 | 178.5 | -54.7 | -178.1 | 0 | 0 | 0 | 111.5 | F120 L121 Q122 F146 I151 I181 | L110-F120 HydrophobicContact CB-CD2 4.44Å; L110-F120 HydrophobicContact CD1-CD2 4.19Å; L110-F120 HydrophobicContact CD1-CE2 4.11Å; L110-F120 HydrophobicContact CD2-CD2 3.97Å; L110-F120 HydrophobicContact CD2-CE2 3.97Å; L110-F120 HydrophobicContact CG-CD2 4.43Å; L110-L121 WeakPolarHBondContact CA-O 3.24Å; L110-Q122 HydrophobicContact CD2-CB 3.85Å; L110-Q122 HydrophobicContact CD2-CG 3.84Å; L110-F146 HydrophobicContact CB-CE2 3.89Å; L110-F146 HydrophobicContact CB-CZ 3.78Å; L110-F146 HydrophobicContact CD1-CE2 4.16Å; L110-I151 HydrophobicContact CB-CD1 4.04Å; L110-I151 HydrophobicContact CD1-CD1 4.39Å; L110-I181 HydrophobicContact CD1-CD1 4.09Å; L110-I181 HydrophobicContact CD1-CG1 4.46Å; L110-I181 HydrophobicContact CD1-CG2 3.64Å | ||
| 111 | A | 68.3 | Low | 70.7 | Confident | 12 Ų | 12 | 52.1 Ų | 52.1 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 150.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P97 F120 L121 | P97-A111 HydrophobicContact CB-CB 4.02Å; P97-A111 HydrophobicContact CG-CB 3.39Å; A111-F120 CarbonylContact O-C 3.44Å; A111-F120 WeakPolarHBondContact O-CA 2.98Å; A111-F120 WeakPolarHBondContact O-CB 3.45Å; A111-L121 HydrophobicContact CB-CB 4.35Å; A111-L121 PolarHBondContact N-O 3.02Å; A111-L121 VanDerWaalsContact N-O 3.1Å; A111-L121 PolarHBondContact O-N 3.01Å |
| 112 | P | 72.1 | Confident | 70.6 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 143.1 | 176 | 30.2 | -34.1 | 0 | 0 | 0 | 110.5 | F146 | P112-F146 HydrophobicContact CB-CD1 4.01Å; P112-F146 HydrophobicContact CB-CE1 4.03Å |
| 113 | V | 77.8 | Confident | 70.4 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.1 | 169 | -171.8 | 0 | 0 | 0 | 0 | 109 | G115 M116 L121 Q137 | V113-G115 PolarHBondContact O-N 3.07Å; V113-G115 VanDerWaalsContact O-N 3.13Å; V113-M116 HydrophobicContact CB-CB 4.25Å; V113-M116 HydrophobicContact CB-CE 4.39Å; V113-M116 HydrophobicContact CG1-CB 4.43Å; V113-M116 HydrophobicContact CG1-CE 3.55Å; V113-M116 PolarHBondContact O-N 3.43Å; V113-M116 VanDerWaalsContact O-N 3.16Å; V113-L121 HydrophobicContact CG2-CD2 3.85Å; V113-L121 HydrophobicContact CG2-CG 3.9Å; V113-Q137 HydrophobicContact CG2-CG 4.12Å |
| 114 | P | 73 | Confident | 70.8 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 71% | 0.714 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 120.2 | 174.9 | -26.4 | 35.8 | 0 | 0 | 0 | 111.6 | ||
| 115 | G | 74.7 | Confident | 70.7 | Confident | 87 Ų | 87 | 54.3 Ų | 54.3 | 90% | 0.897 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -8.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | V113 | V113-G115 PolarHBondContact O-N 3.07Å; V113-G115 VanDerWaalsContact O-N 3.13Å |
| 116 | M | 77 | Confident | 70.8 | Confident | 74 Ų | 74 | 53.3 Ų | 53.3 | 37% | 0.365 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 94.8 | -179.9 | -69.9 | -174.4 | -70 | 0 | 0 | 111.6 | V113 N118 S119 Q137 | V113-M116 HydrophobicContact CB-CB 4.25Å; V113-M116 HydrophobicContact CB-CE 4.39Å; V113-M116 HydrophobicContact CG1-CB 4.43Å; V113-M116 HydrophobicContact CG1-CE 3.55Å; V113-M116 PolarHBondContact O-N 3.43Å; V113-M116 VanDerWaalsContact O-N 3.16Å; M116-N118 PolarHBondContact O-N 3.32Å; M116-S119 PolarHBondContact O-N 3.28Å; M116-S119 VanDerWaalsContact O-O 3.12Å; M116-Q137 VanDerWaalsContact CE-NE2 3.25Å; M116-Q137 VanDerWaalsContact CE-OE1 3.31Å |
| 117 | S | 72.3 | Confident | 70.9 | Confident | 83 Ų | 83 | 51.7 Ų | 51.7 | 58% | 0.58 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -20.2 | 179.1 | 54.7 | 0 | 0 | 0 | 0 | 114 | S119 T145 F146 | S117-S119 VanDerWaalsContact C-N 3.29Å; S117-T145 CarbonylContact O-C 3.59Å; S117-T145 WeakPolarHBondContact O-CA 3.47Å; S117-T145 WeakPolarHBondContact O-CB 3.03Å; S117-F146 PolarHBondContact O-N 3.02Å |
| 118 | N | 73.9 | Confident | 70.5 | Confident | 83 Ų | 83 | 53.5 Ų | 53.5 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 18.7 | 173.4 | 67.4 | -30.2 | 0 | 0 | 0 | 112.7 | M116 C140 | M116-N118 PolarHBondContact O-N 3.32Å; N118-C140 PolarHBondContact O-N 3.08Å |
| 119 | S | 73.5 | Confident | 70.2 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 153.6 | 178.1 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | M116 S117 Q137 M138 | M116-S119 PolarHBondContact O-N 3.28Å; M116-S119 VanDerWaalsContact O-O 3.12Å; S117-S119 VanDerWaalsContact C-N 3.29Å; S119-Q137 PolarHBondContact OG-NE2 2.73Å; S119-M138 CarbonylContact C-O 3.6Å; S119-M138 VanDerWaalsContact CA-O 3.24Å; S119-M138 WeakPolarHBondContact CA-O 3.44Å |
| 120 | F | 79.3 | Confident | 70 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 9% | 0.088 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 157.4 | 174.7 | 61.3 | -86.4 | 0 | 0 | 0 | 111.4 | L110 A111 Q122 M138 F146 I181 | L110-F120 HydrophobicContact CB-CD2 4.44Å; L110-F120 HydrophobicContact CD1-CD2 4.19Å; L110-F120 HydrophobicContact CD1-CE2 4.11Å; L110-F120 HydrophobicContact CD2-CD2 3.97Å; L110-F120 HydrophobicContact CD2-CE2 3.97Å; L110-F120 HydrophobicContact CG-CD2 4.43Å; A111-F120 CarbonylContact O-C 3.44Å; A111-F120 WeakPolarHBondContact O-CA 2.98Å; A111-F120 WeakPolarHBondContact O-CB 3.45Å; F120-Q122 HydrophobicContact CD2-CB 4.38Å; F120-Q122 HydrophobicContact CE2-CB 4.22Å; F120-M138 HydrophobicContact CD1-CB 4.14Å; F120-M138 HydrophobicContact CD2-CB 3.9Å; F120-M138 HydrophobicContact CD2-CG 4.25Å; F120-M138 HydrophobicContact CE1-CB 3.76Å; F120-M138 HydrophobicContact CE2-CB 3.51Å; F120-M138 HydrophobicContact CE2-CG 3.76Å; F120-M138 HydrophobicContact CG-CB 4.2Å; F120-M138 HydrophobicContact CZ-CB 3.44Å; F120-M138 VanDerWaalsContact CZ-CB 3.44Å; F120-M138 HydrophobicContact CZ-CG 4.08Å; F120-M138 PolarHBondContact N-O 3.35Å; F120-M138 PolarHBondContact O-N 3.09Å; F120-F146 HydrophobicContact CB-CB 4.16Å; F120-F146 HydrophobicContact CB-CD1 3.89Å; F120-F146 HydrophobicContact CB-CD2 3.51Å; F120-F146 HydrophobicContact CB-CE1 4.1Å; F120-F146 HydrophobicContact CB-CE2 3.73Å; F120-F146 HydrophobicContact CB-CG 3.59Å; F120-F146 HydrophobicContact CB-CZ 4.03Å; F120-F146 HydrophobicContact CD1-CB 4.46Å; F120-F146 AromaticContact CD1-CD2 3.93Å; F120-F146 HydrophobicContact CD1-CD2 3.93Å; F120-F146 HydrophobicContact CD1-CG 4.41Å; F120-F146 AromaticContact CG-CD2 3.82Å; F120-F146 HydrophobicContact CG-CD2 3.82Å; F120-F146 HydrophobicContact CG-CE2 4.06Å; F120-F146 HydrophobicContact CG-CG 4.31Å; F120-I181 HydrophobicContact CE1-CG2 4.49Å |
| 121 | L | 77.5 | Confident | 69.6 | Low | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.5 | 171.1 | -61.1 | 177.8 | 0 | 0 | 0 | 109.4 | P97 A99 L110 A111 V113 W135 S136 Q137 | P97-L121 VanDerWaalsContact C-CD1 3.47Å; P97-L121 HydrophobicContact CB-CD1 3.84Å; P97-L121 HydrophobicContact CG-CD1 4.32Å; P97-L121 WeakPolarHBondContact O-CD1 3.44Å; A99-L121 HydrophobicContact CB-CD2 3.9Å; L110-L121 WeakPolarHBondContact CA-O 3.24Å; A111-L121 HydrophobicContact CB-CB 4.35Å; A111-L121 PolarHBondContact N-O 3.02Å; A111-L121 VanDerWaalsContact N-O 3.1Å; A111-L121 PolarHBondContact O-N 3.01Å; V113-L121 HydrophobicContact CG2-CD2 3.85Å; V113-L121 HydrophobicContact CG2-CG 3.9Å; L121-W135 HydrophobicContact CB-CD2 4.42Å; L121-W135 HydrophobicContact CB-CE3 3.75Å; L121-W135 HydrophobicContact CB-CZ3 4.28Å; L121-S136 WeakPolarHBondContact CA-O 3.38Å; L121-Q137 HydrophobicContact CD2-CB 4.32Å |
| 122 | Q | 77.8 | Confident | 69.4 | Low | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.9 | 173.4 | -179.5 | 172.4 | -5.1 | 0 | 0 | 108.8 | L110 F120 S136 M138 | L110-Q122 HydrophobicContact CD2-CB 3.85Å; L110-Q122 HydrophobicContact CD2-CG 3.84Å; F120-Q122 HydrophobicContact CD2-CB 4.38Å; F120-Q122 HydrophobicContact CE2-CB 4.22Å; Q122-S136 PolarHBondContact N-O 3.04Å; Q122-S136 PolarHBondContact O-N 3.03Å; Q122-M138 HydrophobicContact CB-CG 3.78Å |
| 123 | C | 70.7 | Confident | 69.4 | Low | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 134.9 | 171.3 | -170.2 | 0 | 0 | 0 | 0 | 109.6 | C103 W105 A108 W135 | C103-C123 HydrophobicContact CB-CB 3.84Å; C103-C123 WeakPolarHBondContact CB-SG 3.46Å; C103-C123 WeakPolarHBondContact SG-CA 3.33Å; C103-C123 WeakPolarHBondContact SG-CB 3.2Å; C103-C123 CovalentContact SG-SG 2.02Å; C103-C123 PolarHBondContact SG-SG 3.28Å; W105-C123 WeakPolarHBondContact CZ3-O 3.5Å; A108-C123 HydrophobicContact CB-CB 3.53Å; C123-W135 HydrophobicContact CB-CE3 4.32Å; C123-W135 HydrophobicContact CB-CZ3 4.35Å |
| 124 | I | 75.3 | Confident | 69.3 | Low | 74 Ų | 74 | 58.7 Ų | 58.7 | 38% | 0.379 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 132.2 | 174.5 | -61.8 | -171.7 | 0 | 0 | 0 | 107.8 | G133 I134 | I124-G133 CarbonylContact O-C 3.6Å; I124-G133 WeakPolarHBondContact O-CA 3.4Å; I124-I134 PolarHBondContact N-O 2.93Å; I124-I134 PolarHBondContact O-N 3.11Å |
| 125 | P | 67 | Low | 69.6 | Low | 47 Ų | 47 | 54.8 Ų | 54.8 | 31% | 0.305 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 138.8 | -170.7 | 30.8 | -28.1 | 0 | 0 | 0 | 110.7 | W105 | W105-P125 HydrophobicContact CB-CB 4.49Å; W105-P125 HydrophobicContact CD2-CB 3.85Å; W105-P125 HydrophobicContact CD2-CG 4.1Å; W105-P125 HydrophobicContact CE3-CB 4.03Å; W105-P125 HydrophobicContact CE3-CG 4.02Å; W105-P125 HydrophobicContact CG-CB 4.07Å; W105-P125 HydrophobicContact CH2-CG 4.18Å; W105-P125 HydrophobicContact CZ2-CG 4.25Å; W105-P125 VanDerWaalsContact CZ3-CD 3.47Å; W105-P125 HydrophobicContact CZ3-CG 4.08Å |
| 126 | T | 68.5 | Low | 69.8 | Low | 80 Ų | 80 | 52.8 Ų | 52.8 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | trans | -124.3 | 3.4 | -177 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | C132 G133 I134 | T126-C132 PolarHBondContact N-O 3.39Å; T126-C132 PolarHBondContact OG1-O 2.04Å; T126-G133 WeakPolarHBondContact OG1-CA 2.95Å; T126-I134 HydrophobicContact CG2-CB 4.17Å; T126-I134 HydrophobicContact CG2-CD1 3.94Å; T126-I134 HydrophobicContact CG2-CG1 3.83Å | ||
| 127 | T | 59.3 | Low | 70.1 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -125.7 | 138.6 | -178.3 | 50.7 | 0 | 0 | 0 | 0 | 110.6 | D129 N130 Q131 C132 | T127-D129 PolarHBondContact O-N 3.5Å; T127-N130 PolarHBondContact O-N 3.01Å; T127-Q131 PolarHBondContact OG1-N 2.89Å; T127-C132 HydrophobicContact CG2-CB 3.95Å; T127-C132 PolarHBondContact N-O 3.1Å; T127-C132 PolarHBondContact OG1-N 2.92Å; T127-C132 PolarHBondContact OG1-O 2.03Å |
| 128 | P | 50.6 | Low | 70.3 | Confident | 128 Ų | 128 | 52.1 Ų | 52.1 | 83% | 0.831 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29.9 | -179.4 | -27.4 | 35.9 | 0 | 0 | 0 | 114.6 | N130 | P128-N130 PolarHBondContact O-N 2.8Š|
| 129 | D | 54.5 | Low | 70.4 | Confident | 126 Ų | 126 | 52.4 Ų | 52.4 | 67% | 0.674 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 1.1 | 176.7 | -63.4 | -63.9 | 0 | 0 | 0 | 114 | T127 Q131 | T127-D129 PolarHBondContact O-N 3.5Å; D129-Q131 HydrophobicContact CB-CG 4.23Å; D129-Q131 PolarHBondContact O-N 2.96Å; D129-Q131 VanDerWaalsContact O-N 3.13Å |
| 130 | N | 56.8 | Low | 70 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 53.7 | 27.5 | -177.4 | -65.6 | -56 | 0 | 0 | 0 | 114.6 | T127 P128 | T127-N130 PolarHBondContact O-N 3.01Å; P128-N130 PolarHBondContact O-N 2.8Å |
| 131 | Q | 61.7 | Low | 69.3 | Low | 48 Ų | 48 | 56.1 Ų | 56.1 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -82.7 | -50.2 | 175.5 | -64.7 | -169.8 | 62.9 | 0 | 0 | 110.7 | Q86 C90 H104 W105 T127 D129 | Q86-Q131 PolarHBondContact O-NE2 2.81Å; C90-Q131 VanDerWaalsContact SG-C 3.53Å; C90-Q131 PolarHBondContact SG-O 3.32Å; C90-Q131 VanDerWaalsContact SG-O 3.41Å; H104-Q131 CarbonylContact C-O 3.56Å; H104-Q131 WeakPolarHBondContact CA-O 3.24Å; W105-Q131 PolarHBondContact N-O 2.95Å; T127-Q131 PolarHBondContact OG1-N 2.89Å; D129-Q131 HydrophobicContact CB-CG 4.23Å; D129-Q131 PolarHBondContact O-N 2.96Å; D129-Q131 VanDerWaalsContact O-N 3.13Å |
| 132 | C | 64.2 | Low | 68.6 | Low | 18 Ų | 18 | 65.6 Ų | 65.6 | 12% | 0.122 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.9 | -177.4 | -47.4 | 0 | 0 | 0 | 0 | 112.8 | C90 T126 T127 | C90-C132 WeakPolarHBondContact CA-SG 2.97Å; C90-C132 HydrophobicContact CB-CB 3.94Å; C90-C132 WeakPolarHBondContact CB-SG 3.27Å; C90-C132 WeakPolarHBondContact SG-CA 3.35Å; C90-C132 WeakPolarHBondContact SG-CB 3.03Å; C90-C132 CovalentContact SG-SG 2.04Å; C90-C132 PolarHBondContact SG-SG 3.21Å; T126-C132 PolarHBondContact N-O 3.39Å; T126-C132 PolarHBondContact OG1-O 2.04Å; T127-C132 HydrophobicContact CG2-CB 3.95Å; T127-C132 PolarHBondContact N-O 3.1Å; T127-C132 PolarHBondContact OG1-N 2.92Å; T127-C132 PolarHBondContact OG1-O 2.03Å |
| 133 | G | 71.8 | Confident | 67.7 | Low | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | -175.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C103 I124 T126 | C103-G133 PolarHBondContact N-O 3.02Å; C103-G133 PolarHBondContact O-N 3.28Å; C103-G133 PolarHBondContact SG-O 2.81Å; C103-G133 VanDerWaalsContact SG-O 3.41Å; I124-G133 CarbonylContact O-C 3.6Å; I124-G133 WeakPolarHBondContact O-CA 3.4Å; T126-G133 WeakPolarHBondContact OG1-CA 2.95Å |
| 134 | I | 76.9 | Confident | 67.3 | Low | 66 Ų | 66 | 65.2 Ų | 65.2 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.7 | 173.7 | -68 | 175.8 | 0 | 0 | 0 | 109.5 | G101 C103 I124 T126 S136 | G101-I134 WeakPolarHBondContact O-CA 3Å; C103-I134 PolarHBondContact SG-N 3.35Å; C103-I134 VanDerWaalsContact SG-N 3.36Å; I124-I134 PolarHBondContact N-O 2.93Å; I124-I134 PolarHBondContact O-N 3.11Å; T126-I134 HydrophobicContact CG2-CB 4.17Å; T126-I134 HydrophobicContact CG2-CD1 3.94Å; T126-I134 HydrophobicContact CG2-CG1 3.83Å; I134-S136 PolarHBondContact O-N 2.85Å |
| 135 | W | 78.2 | Confident | 66.9 | Low | 29 Ų | 29 | 63.3 Ų | 63.3 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 118.2 | 171.1 | -69.9 | 112.8 | 0 | 0 | 0 | 110.6 | P97 V98 A99 G100 G101 C103 A108 G109 L121 C123 | P97-W135 HydrophobicContact CB-CD2 3.87Å; P97-W135 VanDerWaalsContact CB-CE2 3.43Å; P97-W135 HydrophobicContact CB-CE3 4.36Å; P97-W135 HydrophobicContact CB-CG 4.37Å; P97-W135 HydrophobicContact CB-CH2 4.09Å; P97-W135 HydrophobicContact CB-CZ2 3.59Å; P97-W135 HydrophobicContact CB-CZ3 4.45Å; V98-W135 VanDerWaalsContact O-CB 3.28Å; V98-W135 WeakPolarHBondContact O-CB 3.39Å; A99-W135 CarbonylContact C-O 3.5Å; A99-W135 WeakPolarHBondContact CA-O 3.33Å; G100-W135 PolarHBondContact N-O 3.32Å; G101-W135 VanDerWaalsContact O-CD1 3.26Å; G101-W135 PolarHBondContact O-N 2.04Å; C103-W135 HydrophobicContact CB-CD2 3.98Å; C103-W135 HydrophobicContact CB-CG 4.18Å; C103-W135 HydrophobicContact CB-CZ2 4.01Å; A108-W135 HydrophobicContact CB-CH2 3.65Å; A108-W135 HydrophobicContact CB-CZ2 3.93Å; A108-W135 HydrophobicContact CB-CZ3 4.27Å; G109-W135 VanDerWaalsContact O-CH2 3.28Å; G109-W135 WeakPolarHBondContact O-CH2 3.23Å; G109-W135 WeakPolarHBondContact O-CZ3 3.32Å; L121-W135 HydrophobicContact CB-CD2 4.42Å; L121-W135 HydrophobicContact CB-CE3 3.75Å; L121-W135 HydrophobicContact CB-CZ3 4.28Å; C123-W135 HydrophobicContact CB-CE3 4.32Å; C123-W135 HydrophobicContact CB-CZ3 4.35Å |
| 136 | S | 79.5 | Confident | 66.9 | Low | 45 Ų | 45 | 61.9 Ų | 61.9 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 150.7 | 169.4 | -168.1 | 0 | 0 | 0 | 0 | 110.8 | L121 Q122 I134 | L121-S136 WeakPolarHBondContact CA-O 3.38Å; Q122-S136 PolarHBondContact N-O 3.04Å; Q122-S136 PolarHBondContact O-N 3.03Å; I134-S136 PolarHBondContact O-N 2.85Å |
| 137 | Q | 83 | Confident | 66.8 | Low | 74 Ų | 74 | 62 Ų | 62 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.4 | 171.5 | 176 | 173.1 | -17.3 | 0 | 0 | 110.2 | V113 M116 S119 L121 | V113-Q137 HydrophobicContact CG2-CG 4.12Å; M116-Q137 VanDerWaalsContact CE-NE2 3.25Å; M116-Q137 VanDerWaalsContact CE-OE1 3.31Å; S119-Q137 PolarHBondContact OG-NE2 2.73Å; L121-Q137 HydrophobicContact CD2-CB 4.32Å |
| 138 | M | 76.2 | Confident | 66.9 | Low | 68 Ų | 68 | 61.9 Ų | 61.9 | 34% | 0.335 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.5 | 176.1 | -56.2 | -61.4 | -73.5 | 0 | 0 | 109 | S119 F120 Q122 | S119-M138 CarbonylContact C-O 3.6Å; S119-M138 VanDerWaalsContact CA-O 3.24Å; S119-M138 WeakPolarHBondContact CA-O 3.44Å; F120-M138 HydrophobicContact CD1-CB 4.14Å; F120-M138 HydrophobicContact CD2-CB 3.9Å; F120-M138 HydrophobicContact CD2-CG 4.25Å; F120-M138 HydrophobicContact CE1-CB 3.76Å; F120-M138 HydrophobicContact CE2-CB 3.51Å; F120-M138 HydrophobicContact CE2-CG 3.76Å; F120-M138 HydrophobicContact CG-CB 4.2Å; F120-M138 HydrophobicContact CZ-CB 3.44Å; F120-M138 VanDerWaalsContact CZ-CB 3.44Å; F120-M138 HydrophobicContact CZ-CG 4.08Å; F120-M138 PolarHBondContact N-O 3.35Å; F120-M138 PolarHBondContact O-N 3.09Å; Q122-M138 HydrophobicContact CB-CG 3.78Å |
| 139 | S | 76.6 | Confident | 67 | Low | 90 Ų | 90 | 58.7 Ų | 58.7 | 63% | 0.629 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 139.4 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 140 | C | 64.5 | Low | 66.7 | Low | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 151.4 | 164.4 | -74.6 | 0 | 0 | 0 | 0 | 110.9 | N118 F146 C182 | N118-C140 PolarHBondContact O-N 3.08Å; C140-F146 PolarHBondContact SG-N 3.45Å; C140-C182 WeakPolarHBondContact CA-SG 3.42Å; C140-C182 HydrophobicContact CB-CB 3.62Å; C140-C182 WeakPolarHBondContact CB-SG 3.46Å; C140-C182 WeakPolarHBondContact SG-CB 3.45Å; C140-C182 CovalentContact SG-SG 2.04Å; C140-C182 PolarHBondContact SG-SG 2.79Å |
| 141 | P | 64.8 | Low | 66.3 | Low | 88 Ų | 88 | 56 Ų | 56 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 151 | 168.1 | -25.6 | 34.6 | 0 | 0 | 0 | 112.8 | T144 | P141-T144 WeakPolarHBondContact CD-OG1 2.97Å; P141-T144 PolarHBondContact O-N 3.4Å; P141-T144 PolarHBondContact O-OG1 2.76Å |
| 142 | E | 62.1 | Low | 65 | Low | 201 Ų | 201 | 61.7 Ų | 61.7 | 94% | 0.939 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 141.5 | 178.3 | -63.2 | -166.7 | 149.2 | 0 | 0 | 112.1 | T144 | E142-T144 PolarHBondContact O-N 3.22Š|
| 143 | G | 59.4 | Low | 63.4 | Low | 39 Ų | 39 | 64.7 Ų | 64.7 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -3.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 144 | T | 63.1 | Low | 61.4 | Low | 24 Ų | 24 | 72.4 Ų | 72.4 | 15% | 0.147 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 152.9 | 179.2 | 71.6 | 0 | 0 | 0 | 0 | 113.6 | P141 E142 C182 V183 T184 | P141-T144 WeakPolarHBondContact CD-OG1 2.97Å; P141-T144 PolarHBondContact O-N 3.4Å; P141-T144 PolarHBondContact O-OG1 2.76Å; E142-T144 PolarHBondContact O-N 3.22Å; T144-C182 WeakPolarHBondContact OG1-CB 3.39Å; T144-V183 CarbonylContact C-O 3.51Å; T144-V183 WeakPolarHBondContact CA-O 3.36Å; T144-V183 VanDerWaalsContact CB-O 3.3Å; T144-V183 WeakPolarHBondContact CB-O 3.36Å; T144-T184 HydrophobicContact CG2-CG2 4.34Å |
| 145 | T | 66.8 | Low | 59.1 | Low | 33 Ų | 33 | 78.5 Ų | 78.5 | 20% | 0.202 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 143.9 | 179.7 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | S117 C182 V183 V185 | S117-T145 CarbonylContact O-C 3.59Å; S117-T145 WeakPolarHBondContact O-CA 3.47Å; S117-T145 WeakPolarHBondContact O-CB 3.03Å; T145-C182 WeakPolarHBondContact O-CA 3.45Å; T145-V183 PolarHBondContact N-O 3.35Å; T145-V183 PolarHBondContact O-N 2.03Å; T145-V185 HydrophobicContact CG2-CG2 3.99Å |
| 146 | F | 67.4 | Low | 56.8 | Low | 18 Ų | 18 | 80.6 Ų | 80.6 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.3 | 176.3 | 175.7 | -105.2 | 0 | 0 | 0 | 110.9 | L110 P112 S117 F120 C140 A148 I151 I181 | L110-F146 HydrophobicContact CB-CE2 3.89Å; L110-F146 HydrophobicContact CB-CZ 3.78Å; L110-F146 HydrophobicContact CD1-CE2 4.16Å; P112-F146 HydrophobicContact CB-CD1 4.01Å; P112-F146 HydrophobicContact CB-CE1 4.03Å; S117-F146 PolarHBondContact O-N 3.02Å; F120-F146 HydrophobicContact CB-CB 4.16Å; F120-F146 HydrophobicContact CB-CD1 3.89Å; F120-F146 HydrophobicContact CB-CD2 3.51Å; F120-F146 HydrophobicContact CB-CE1 4.1Å; F120-F146 HydrophobicContact CB-CE2 3.73Å; F120-F146 HydrophobicContact CB-CG 3.59Å; F120-F146 HydrophobicContact CB-CZ 4.03Å; F120-F146 HydrophobicContact CD1-CB 4.46Å; F120-F146 AromaticContact CD1-CD2 3.93Å; F120-F146 HydrophobicContact CD1-CD2 3.93Å; F120-F146 HydrophobicContact CD1-CG 4.41Å; F120-F146 AromaticContact CG-CD2 3.82Å; F120-F146 HydrophobicContact CG-CD2 3.82Å; F120-F146 HydrophobicContact CG-CE2 4.06Å; F120-F146 HydrophobicContact CG-CG 4.31Å; C140-F146 PolarHBondContact SG-N 3.45Å; F146-A148 HydrophobicContact CE1-CB 3.76Å; F146-A148 HydrophobicContact CZ-CB 4.17Å; F146-I151 HydrophobicContact CE2-CD1 3.9Å; F146-I151 HydrophobicContact CZ-CD1 3.81Å; F146-I181 HydrophobicContact CD2-CG2 3.79Å; F146-I181 HydrophobicContact CE2-CG2 3.79Å |
| 147 | Q | 65.6 | Low | 54.3 | Low | 81 Ų | 81 | 84.9 Ų | 84.9 | 38% | 0.379 | 46% | 0.458 | S | S | . | . | trans | -124.2 | 89.7 | -178.7 | -147.5 | -171 | 15.6 | 0 | 0 | 111.7 | S149 L150 V183 | Q147-S149 WeakPolarHBondContact CG-OG 3.28Å; Q147-S149 PolarHBondContact O-N 3.45Å; Q147-L150 HydrophobicContact CB-CD1 4.03Å; Q147-L150 HydrophobicContact CB-CG 4.26Å; Q147-L150 PolarHBondContact O-N 3.34Å; Q147-V183 HydrophobicContact CB-CG2 3.92Å | ||
| 148 | A | 60.3 | Low | 51.8 | Low | 42 Ų | 42 | 86.8 Ų | 86.8 | 35% | 0.347 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -22 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F146 | F146-A148 HydrophobicContact CE1-CB 3.76Å; F146-A148 HydrophobicContact CZ-CB 4.17Å |
| 149 | S | 54.5 | Low | 49.7 | Very low | 60 Ų | 60 | 91.7 Ų | 91.7 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -36.7 | 174.7 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | Q147 I151 K152 T153 | Q147-S149 WeakPolarHBondContact CG-OG 3.28Å; Q147-S149 PolarHBondContact O-N 3.45Å; S149-I151 PolarHBondContact O-N 3.3Å; S149-K152 PolarHBondContact O-N 3.07Å; S149-T153 WeakPolarHBondContact O-CG2 3.46Å; S149-T153 PolarHBondContact O-N 2.91Å; S149-T153 PolarHBondContact O-OG1 3.41Å |
| 150 | L | 47.7 | Very low | 47.6 | Very low | 68 Ų | 68 | 95.2 Ų | 95.2 | 36% | 0.356 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -24.4 | -177.2 | -66 | 176.1 | 0 | 0 | 0 | 113.3 | Q147 K152 T153 V183 | Q147-L150 HydrophobicContact CB-CD1 4.03Å; Q147-L150 HydrophobicContact CB-CG 4.26Å; Q147-L150 PolarHBondContact O-N 3.34Å; L150-K152 PolarHBondContact O-N 3.36Å; L150-T153 WeakPolarHBondContact CA-OG1 3.05Å; L150-V183 HydrophobicContact CD1-CB 4.25Å; L150-V183 HydrophobicContact CD1-CG1 3.3Å; L150-V183 HydrophobicContact CD1-CG2 3.93Å |
| 151 | I | 48.2 | Very low | 45.9 | Very low | 70 Ų | 70 | 102.1 Ų | 102.1 | 36% | 0.359 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -18.9 | 174.5 | -54.1 | 178.1 | 0 | 0 | 0 | 111.2 | L110 F146 S149 | L110-I151 HydrophobicContact CB-CD1 4.04Å; L110-I151 HydrophobicContact CD1-CD1 4.39Å; F146-I151 HydrophobicContact CE2-CD1 3.9Å; F146-I151 HydrophobicContact CZ-CD1 3.81Å; S149-I151 PolarHBondContact O-N 3.3Å |
| 152 | K | 34.5 | Very low | 44.2 | Very low | 169 Ų | 169 | 102 Ų | 102 | 74% | 0.735 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -111.3 | -23.2 | 179.8 | -65 | -174.4 | 177.6 | -178 | 0 | 114.9 | S149 L150 S156 | S149-K152 PolarHBondContact O-N 3.07Å; L150-K152 PolarHBondContact O-N 3.36Å; K152-S156 PolarHBondContact O-OG 2.96Å |
| 153 | T | 31.3 | Very low | 42.5 | Very low | 80 Ų | 80 | 102.5 Ų | 102.5 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -92.7 | -7.8 | -164.4 | 51 | 0 | 0 | 0 | 0 | 116.5 | S149 L150 F155 | S149-T153 WeakPolarHBondContact O-CG2 3.46Å; S149-T153 PolarHBondContact O-N 2.91Å; S149-T153 PolarHBondContact O-OG1 3.41Å; L150-T153 WeakPolarHBondContact CA-OG1 3.05Å; T153-F155 VanDerWaalsContact C-N 3.28Å; T153-F155 PolarHBondContact O-N 3.11Å |
| 154 | K | 28.4 | Very low | 41 | Very low | 163 Ų | 163 | 108.5 Ų | 108.5 | 71% | 0.709 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -2.2 | 172.6 | -121.8 | -178.8 | -176.2 | -178.7 | 0 | 114.5 | ||
| 155 | F | 29.8 | Very low | 39.4 | Very low | 194 Ų | 194 | 113.9 Ų | 113.9 | 85% | 0.851 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 8.7 | 178.6 | -85.1 | -81.7 | 0 | 0 | 0 | 114.2 | T153 | T153-F155 VanDerWaalsContact C-N 3.28Å; T153-F155 PolarHBondContact O-N 3.11Å |
| 156 | S | 29.1 | Very low | 37.6 | Very low | 72 Ų | 72 | 119 Ų | 119 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | trans | -129.2 | 93.2 | -175 | 33.3 | 0 | 0 | 0 | 0 | 112.2 | K152 | K152-S156 PolarHBondContact O-OG 2.96Š| ||
| 157 | N | 27.1 | Very low | 35.7 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | trans | -72.8 | 133.4 | 165.6 | -168.1 | 37.1 | 0 | 0 | 0 | 109 | E159 | N157-E159 VanDerWaalsContact C-N 3.34Å; N157-E159 PolarHBondContact O-N 3.38Å | ||
| 158 | P | 30.3 | Very low | 34 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 3.5 | -154.8 | -21.8 | 35.9 | 0 | 0 | 0 | 118.9 | ||
| 159 | E | 33.1 | Very low | 32.6 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -17.6 | -161.2 | -68.4 | -165.2 | 122.9 | 0 | 0 | 117 | N157 | N157-E159 VanDerWaalsContact C-N 3.34Å; N157-E159 PolarHBondContact O-N 3.38Å |
| 160 | I | 31.2 | Very low | 31.4 | Very low | 163 Ų | 163 | 136 Ų | 136 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | trans | -124.8 | 96.7 | -175.6 | -53.4 | -177.3 | 0 | 0 | 0 | 111.3 | ||||
| 161 | N | 28.4 | Very low | 30.5 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | trans | -110.2 | 99.2 | 178.7 | -143.4 | -9.8 | 0 | 0 | 0 | 109.5 | ||||
| 162 | S | 29.4 | Very low | 29.6 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | trans | 167.5 | 154.2 | 150.4 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 163 | Y | 27 | Very low | 29.4 | Very low | 213 Ų | 213 | 136.7 Ų | 136.7 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | trans | 56.5 | 90.7 | 171.7 | -51.5 | -77.5 | 0 | 0 | 0 | 117.9 | ||||
| 164 | L | 27.4 | Very low | 29.2 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | 168.8 | 148.2 | 116.6 | -88.7 | 159.6 | 0 | 0 | 0 | 111.4 | |||||
| 165 | T | 29.5 | Very low | 29.3 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | trans | -124.7 | 103.2 | -177.1 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 166 | I | 29.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | trans | -140.7 | 131.5 | 173.8 | -51.9 | -179.7 | 0 | 0 | 0 | 108.9 | ||||
| 167 | P | 27.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -108.8 | 90.6 | -170.3 | 38 | -30.5 | 0 | 0 | 0 | 114.4 | ||||
| 168 | E | 30.2 | Very low | 29.3 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -151.4 | 54.1 | -173.9 | -141.5 | 167.3 | -134.6 | 0 | 0 | 115 | ||||
| 169 | L | 30 | Very low | 29.7 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 83% | 0.832 | 70% | 0.7 | S | S | * | * | trans | -130.1 | 5.3 | -167.2 | -99.1 | 169.3 | 0 | 0 | 0 | 118.8 | ||||
| 170 | N | 30.2 | Very low | 30.3 | Very low | 92 Ų | 92 | 131 Ų | 131 | 49% | 0.492 | 69% | 0.692 | S | S | . | * | trans | -95.6 | 16.1 | -170.5 | -74.1 | -2.6 | 0 | 0 | 0 | 116.2 | I172 | N170-I172 PolarHBondContact O-N 3.22Š| ||
| 171 | S | 28.3 | Very low | 31.6 | Very low | 93 Ų | 93 | 126 Ų | 126 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | trans | -91.6 | 13.1 | -168.9 | 57.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 172 | I | 29.1 | Very low | 33.1 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 52% | 0.518 | 63% | 0.631 | S | S | . | * | trans | -135.5 | 98.6 | 170.2 | -54.8 | 89.4 | 0 | 0 | 0 | 110.6 | N170 I175 | N170-I172 PolarHBondContact O-N 3.22Å; I172-I175 HydrophobicContact CG2-CD1 4.26Å; I172-I175 HydrophobicContact CG2-CG1 4.2Å | ||
| 173 | F | 29.9 | Very low | 34.2 | Very low | 128 Ų | 128 | 116.2 Ų | 116.2 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | trans | -144 | 70.9 | 164.9 | -92.1 | -74.4 | 0 | 0 | 0 | 111.9 | L179 | F173-L179 HydrophobicContact CE1-CD2 3.76Å; F173-L179 HydrophobicContact CZ-CD2 4.26Å | ||
| 174 | N | 28.1 | Very low | 35.5 | Very low | 88 Ų | 88 | 110.3 Ų | 110.3 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | trans | -140 | 51.6 | 152.1 | -164.5 | 21.8 | 0 | 0 | 0 | 109.9 | Q176 | N174-Q176 PolarHBondContact O-N 3.17Š| ||
| 175 | I | 30.8 | Very low | 36.7 | Very low | 101 Ų | 101 | 104.8 Ų | 104.8 | 52% | 0.518 | 57% | 0.568 | S | S | . | * | trans | -85.4 | 98.2 | 176.2 | -57.7 | 176.8 | 0 | 0 | 0 | 107.4 | I172 | I172-I175 HydrophobicContact CG2-CD1 4.26Å; I172-I175 HydrophobicContact CG2-CG1 4.2Å | ||
| 176 | Q | 29.5 | Very low | 37.4 | Very low | 165 Ų | 165 | 105.4 Ų | 105.4 | 77% | 0.771 | 57% | 0.566 | S | S | * | * | trans | -67.1 | 149.4 | 158.6 | -75.4 | -174.1 | -74.3 | 0 | 0 | 109.3 | N174 | N174-Q176 PolarHBondContact O-N 3.17Š| ||
| 177 | S | 27.1 | Very low | 38.3 | Very low | 97 Ų | 97 | 100.2 Ų | 100.2 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | S | Bend | trans | 68.6 | 123.2 | -169 | 62.6 | 0 | 0 | 0 | 0 | 116.6 | L179 | S177-L179 PolarHBondContact O-N 2.82Š|
| 178 | D | 29.8 | Very low | 39.4 | Very low | 145 Ų | 145 | 102 Ų | 102 | 78% | 0.775 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 67.1 | 28.1 | 154.5 | -57.7 | -1.9 | 0 | 0 | 0 | 121 | ||
| 179 | L | 38.5 | Very low | 40.6 | Very low | 83 Ų | 83 | 98 Ų | 98 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | trans | -109.6 | 94.4 | 156.4 | -126.2 | 77.9 | 0 | 0 | 0 | 112.2 | F173 S177 I181 | F173-L179 HydrophobicContact CE1-CD2 3.76Å; F173-L179 HydrophobicContact CZ-CD2 4.26Å; S177-L179 PolarHBondContact O-N 2.82Å; L179-I181 PolarHBondContact O-N 2.88Å | ||
| 180 | Q | 44.5 | Very low | 42.3 | Very low | 132 Ų | 132 | 92.9 Ų | 92.9 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | trans | -72.5 | 89.3 | 172.2 | -75 | -174.8 | -9.5 | 0 | 0 | 111.1 | C182 V183 | Q180-C182 VanDerWaalsContact C-N 3.32Å; Q180-V183 HydrophobicContact CB-CG1 4.02Å | ||
| 181 | I | 58.5 | Low | 44.1 | Very low | 56 Ų | 56 | 88.8 Ų | 88.8 | 29% | 0.287 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -64.9 | -38.4 | 172.8 | -68.6 | 165.3 | 0 | 0 | 0 | 111 | L110 F120 F146 L179 | L110-I181 HydrophobicContact CD1-CD1 4.09Å; L110-I181 HydrophobicContact CD1-CG1 4.46Å; L110-I181 HydrophobicContact CD1-CG2 3.64Å; F120-I181 HydrophobicContact CE1-CG2 4.49Å; F146-I181 HydrophobicContact CD2-CG2 3.79Å; F146-I181 HydrophobicContact CE2-CG2 3.79Å; L179-I181 PolarHBondContact O-N 2.88Å |
| 182 | C | 59.5 | Low | 45.8 | Very low | 19 Ų | 19 | 90.1 Ų | 90.1 | 13% | 0.128 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.7 | 164.9 | -54.9 | 0 | 0 | 0 | 0 | 107.8 | C140 T144 T145 Q180 | C140-C182 WeakPolarHBondContact CA-SG 3.42Å; C140-C182 HydrophobicContact CB-CB 3.62Å; C140-C182 WeakPolarHBondContact CB-SG 3.46Å; C140-C182 WeakPolarHBondContact SG-CB 3.45Å; C140-C182 CovalentContact SG-SG 2.04Å; C140-C182 PolarHBondContact SG-SG 2.79Å; T144-C182 WeakPolarHBondContact OG1-CB 3.39Å; T145-C182 WeakPolarHBondContact O-CA 3.45Å; Q180-C182 VanDerWaalsContact C-N 3.32Å |
| 183 | V | 54.1 | Low | 47.1 | Very low | 20 Ų | 20 | 92.2 Ų | 92.2 | 12% | 0.121 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 152.1 | 176.9 | -77.2 | 0 | 0 | 0 | 0 | 110.7 | T144 T145 Q147 L150 Q180 | T144-V183 CarbonylContact C-O 3.51Å; T144-V183 WeakPolarHBondContact CA-O 3.36Å; T144-V183 VanDerWaalsContact CB-O 3.3Å; T144-V183 WeakPolarHBondContact CB-O 3.36Å; T145-V183 PolarHBondContact N-O 3.35Å; T145-V183 PolarHBondContact O-N 2.03Å; Q147-V183 HydrophobicContact CB-CG2 3.92Å; L150-V183 HydrophobicContact CD1-CB 4.25Å; L150-V183 HydrophobicContact CD1-CG1 3.3Å; L150-V183 HydrophobicContact CD1-CG2 3.93Å; Q180-V183 HydrophobicContact CB-CG1 4.02Å |
| 184 | T | 54.2 | Low | 48.1 | Very low | 89 Ų | 89 | 90 Ų | 90 | 55% | 0.546 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 142.7 | 161.8 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | T144 N186 | T144-T184 HydrophobicContact CG2-CG2 4.34Å; T184-N186 PolarHBondContact O-N 3.25Å; T184-N186 VanDerWaalsContact O-N 3.15Å |
| 185 | V | 51.1 | Low | 49 | Very low | 47 Ų | 47 | 91.7 Ų | 91.7 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 125.8 | 179.1 | -170.8 | 0 | 0 | 0 | 0 | 107.9 | T145 V187 P204 | T145-V185 HydrophobicContact CG2-CG2 3.99Å; V185-V187 HydrophobicContact CB-CG2 3.78Å; V185-V187 HydrophobicContact CG1-CG2 3.71Å; V185-V187 WeakPolarHBondContact O-CG2 3.36Å; V185-V187 PolarHBondContact O-N 2.84Å; V185-P204 HydrophobicContact CG1-CG 4.28Å |
| 186 | N | 45.2 | Very low | 50 | Low | 152 Ų | 152 | 90 Ų | 90 | 81% | 0.813 | 50% | 0.503 | S | S | * | . | trans | -78.1 | 67.5 | -179.3 | -166.3 | 5 | 0 | 0 | 0 | 109.9 | T184 | T184-N186 PolarHBondContact O-N 3.25Å; T184-N186 VanDerWaalsContact O-N 3.15Å | ||
| 187 | V | 48.1 | Very low | 51.1 | Low | 30 Ų | 30 | 85.1 Ų | 85.1 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | trans | -74.4 | 127.8 | -176.5 | -165.4 | 0 | 0 | 0 | 0 | 109 | V185 N189 P201 V221 | V185-V187 HydrophobicContact CB-CG2 3.78Å; V185-V187 HydrophobicContact CG1-CG2 3.71Å; V185-V187 WeakPolarHBondContact O-CG2 3.36Å; V185-V187 PolarHBondContact O-N 2.84Å; V187-N189 PolarHBondContact O-N 2.85Å; V187-P201 HydrophobicContact CB-CB 4.2Å; V187-P201 HydrophobicContact CG1-CB 4.49Å; V187-V221 HydrophobicContact CB-CG1 4.49Å; V187-V221 HydrophobicContact CG1-CB 4.12Å; V187-V221 HydrophobicContact CG1-CG1 3.66Å; V187-V221 HydrophobicContact CG1-CG2 3.33Å | ||
| 188 | Q | 51.2 | Low | 52.3 | Low | 168 Ų | 168 | 85.3 Ų | 85.3 | 79% | 0.785 | 47% | 0.474 | S | S | * | . | trans | -55.7 | 132.8 | 169.8 | -68.5 | -176.4 | -60.5 | 0 | 0 | 109.2 | T190 | Q188-T190 VanDerWaalsContact C-N 3.29Å; Q188-T190 PolarHBondContact O-N 2.88Å | ||
| 189 | N | 55.1 | Low | 53.9 | Low | 93 Ų | 93 | 79 Ų | 79 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | trans | -73.9 | 84.1 | -176.6 | -169.3 | 6.8 | 0 | 0 | 0 | 111.2 | V187 C191 | V187-N189 PolarHBondContact O-N 2.85Å; N189-C191 VanDerWaalsContact C-N 3.28Å; N189-C191 VanDerWaalsContact OD1-CB 3.25Å; N189-C191 WeakPolarHBondContact OD1-CB 3.36Å; N189-C191 PolarHBondContact OD1-N 3.27Å | ||
| 190 | T | 65.6 | Low | 55.2 | Low | 52 Ų | 52 | 80.2 Ų | 80.2 | 32% | 0.319 | 44% | 0.442 | S | S | . | . | trans | -84.2 | -1.8 | 172.6 | 55.4 | 0 | 0 | 0 | 0 | 112.6 | Q188 H192 Y218 V221 | Q188-T190 VanDerWaalsContact C-N 3.29Å; Q188-T190 PolarHBondContact O-N 2.88Å; T190-H192 PolarHBondContact O-N 2.91Å; T190-H192 VanDerWaalsContact O-N 3.11Å; T190-Y218 VanDerWaalsContact O-CD1 3.26Å; T190-Y218 WeakPolarHBondContact O-CD1 3.45Å; T190-Y218 WeakPolarHBondContact O-CE1 3.06Å; T190-V221 VanDerWaalsContact OG1-CG2 3.24Å; T190-V221 WeakPolarHBondContact OG1-CG2 3.45Å | ||
| 191 | C | 67.4 | Low | 56.2 | Low | 6 Ų | 6 | 75.8 Ų | 75.8 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | trans | -67.5 | 110 | -179.2 | -58 | 0 | 0 | 0 | 0 | 110.4 | N189 Q193 A199 C223 | N189-C191 VanDerWaalsContact C-N 3.28Å; N189-C191 VanDerWaalsContact OD1-CB 3.25Å; N189-C191 WeakPolarHBondContact OD1-CB 3.36Å; N189-C191 PolarHBondContact OD1-N 3.27Å; C191-Q193 PolarHBondContact O-N 2.04Å; C191-A199 HydrophobicContact CB-CB 3.76Å; C191-C223 WeakPolarHBondContact CA-SG 3.44Å; C191-C223 HydrophobicContact CB-CB 3.77Å; C191-C223 WeakPolarHBondContact CB-SG 3.34Å; C191-C223 WeakPolarHBondContact SG-CB 3Å; C191-C223 CovalentContact SG-SG 2.03Å; C191-C223 PolarHBondContact SG-SG 3.23Å | ||
| 192 | H | 64.1 | Low | 56.5 | Low | 120 Ų | 120 | 75.9 Ų | 75.9 | 56% | 0.556 | 43% | 0.425 | S | S | * | . | trans | -65.4 | 119.8 | -172.3 | -159.3 | -59.7 | 0 | 0 | 0 | 111.4 | T190 T194 Y218 | T190-H192 PolarHBondContact O-N 2.91Å; T190-H192 VanDerWaalsContact O-N 3.11Å; H192-T194 PolarHBondContact O-N 3.17Å; H192-Y218 HydrophobicContact CB-CE1 3.97Å | ||
| 193 | Q | 57.2 | Low | 56.6 | Low | 145 Ų | 145 | 75.9 Ų | 75.9 | 68% | 0.678 | 43% | 0.425 | S | S | * | . | trans | -71.1 | 126.6 | 171.2 | -65.3 | -177.9 | 3.5 | 0 | 0 | 109.4 | C191 | C191-Q193 PolarHBondContact O-N 2.04Š| ||
| 194 | T | 51.2 | Low | 57.6 | Low | 83 Ų | 83 | 78.2 Ų | 78.2 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | B | Isolated β-bridge | trans | -131.7 | 118.6 | 169.8 | 46.8 | 0 | 0 | 0 | 0 | 109.5 | H192 G196 N197 | H192-T194 PolarHBondContact O-N 3.17Å; T194-G196 PolarHBondContact O-N 2.82Å; T194-N197 PolarHBondContact O-N 3.35Å |
| 195 | S | 45.9 | Very low | 58.7 | Low | 123 Ų | 123 | 75.3 Ų | 75.3 | 86% | 0.86 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 31 | 78.3 | 165.6 | 57.3 | 0 | 0 | 0 | 0 | 116.3 | ||
| 196 | G | 53 | Low | 59.7 | Low | 66 Ų | 66 | 74.6 Ų | 74.6 | 68% | 0.68 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -17.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | T194 | T194-G196 PolarHBondContact O-N 2.82Š|
| 197 | N | 51.7 | Low | 60.9 | Low | 62 Ų | 62 | 72.6 Ų | 72.6 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -94.2 | 123.8 | 180 | -77.2 | -43.6 | 0 | 0 | 0 | 112.1 | T194 A199 V225 | T194-N197 PolarHBondContact O-N 3.35Å; N197-A199 PolarHBondContact O-N 2.66Å; N197-V225 HydrophobicContact CB-CG1 3.78Å |
| 198 | I | 53.6 | Low | 62.1 | Low | 101 Ų | 101 | 78.5 Ų | 78.5 | 52% | 0.518 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 107.8 | 173.5 | -57.4 | 178.8 | 0 | 0 | 0 | 108.5 | V226 I228 | I198-V226 PolarHBondContact O-N 3.18Å; I198-I228 HydrophobicContact CD1-CD1 4.2Å; I198-I228 HydrophobicContact CG1-CD1 4.41Å |
| 199 | A | 63.2 | Low | 63.3 | Low | 11 Ų | 11 | 76.2 Ų | 76.2 | 9% | 0.091 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 139.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C191 N197 A224 V225 | C191-A199 HydrophobicContact CB-CB 3.76Å; N197-A199 PolarHBondContact O-N 2.66Å; A199-A224 CarbonylContact C-O 3.55Å; A199-A224 VanDerWaalsContact CA-O 3.25Å; A199-A224 WeakPolarHBondContact CA-O 3.29Å; A199-V225 HydrophobicContact CB-CG2 4.37Å |
| 200 | Y | 65.3 | Low | 64 | Low | 110 Ų | 110 | 77.5 Ų | 77.5 | 43% | 0.431 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 146 | 178.8 | 65.9 | -81.5 | 0 | 0 | 0 | 111.5 | I202 C223 A224 V226 | Y200-I202 HydrophobicContact CE2-CG1 4.22Å; Y200-C223 WeakPolarHBondContact O-CA 3.49Å; Y200-A224 HydrophobicContact CD1-CB 4.31Å; Y200-A224 WeakPolarHBondContact CD1-O 3.31Å; Y200-A224 HydrophobicContact CE1-CB 3.65Å; Y200-A224 HydrophobicContact CE2-CB 4.13Å; Y200-A224 PolarHBondContact N-O 2.94Å; Y200-A224 PolarHBondContact O-N 2.8Å; Y200-V226 HydrophobicContact CD1-CG2 3.78Å; Y200-V226 HydrophobicContact CE1-CG2 3.56Å |
| 201 | P | 65.7 | Low | 63.7 | Low | 38 Ų | 38 | 76.4 Ų | 76.4 | 25% | 0.247 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 139.2 | 179 | 32.9 | -35.2 | 0 | 0 | 0 | 110.8 | V187 V221 | V187-P201 HydrophobicContact CB-CB 4.2Å; V187-P201 HydrophobicContact CG1-CB 4.49Å; P201-V221 HydrophobicContact CB-CG1 3.49Å; P201-V221 VanDerWaalsContact CB-CG1 3.49Å |
| 202 | I | 64.4 | Low | 63.4 | Low | 59 Ų | 59 | 79.7 Ų | 79.7 | 30% | 0.303 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -56.5 | 173.3 | -54.3 | -175.3 | 0 | 0 | 0 | 110.4 | Y200 A215 C222 A224 | Y200-I202 HydrophobicContact CE2-CG1 4.22Å; I202-A215 HydrophobicContact CD1-CB 3.67Å; I202-C222 PolarHBondContact N-O 2.89Å; I202-A224 HydrophobicContact CD1-CB 3.79Å; I202-A224 HydrophobicContact CG1-CB 4.15Å |
| 203 | C | 62.4 | Low | 63.4 | Low | 19 Ų | 19 | 78 Ų | 78 | 13% | 0.128 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 167.8 | -172.3 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | C222 | C203-C222 WeakPolarHBondContact O-CB 3.4Å; C203-C222 PolarHBondContact O-N 3.34Å; C203-C222 VanDerWaalsContact SG-SG 3.65Å |
| 204 | P | 73.1 | Confident | 63.9 | Low | 68 Ų | 68 | 77 Ų | 77 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 152.9 | 162.5 | -20.7 | 33.7 | 0 | 0 | 0 | 111.2 | V185 G220 | V185-P204 HydrophobicContact CG1-CG 4.28Å; P204-G220 CarbonylContact C-O 3.55Å; P204-G220 WeakPolarHBondContact CA-O 3.44Å |
| 205 | C | 78.5 | Confident | 64.8 | Low | 29 Ų | 29 | 73.6 Ų | 73.6 | 20% | 0.196 | 47% | 0.47 | C | S | . | . | trans | -67.8 | 141 | 173.2 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | C217 G220 V221 | C205-C217 HydrophobicContact CB-CB 3.98Å; C205-C217 WeakPolarHBondContact CB-SG 3.46Å; C205-C217 WeakPolarHBondContact SG-CA 3.03Å; C205-C217 WeakPolarHBondContact SG-CB 3.46Å; C205-C217 CovalentContact SG-SG 2.03Å; C205-C217 PolarHBondContact SG-SG 2.89Å; C205-G220 PolarHBondContact N-O 3.25Å; C205-V221 VanDerWaalsContact SG-C 3.51Å; C205-V221 PolarHBondContact SG-N 2.96Å | ||
| 206 | G | 71.1 | Confident | 66.3 | Low | 31 Ų | 31 | 71.9 Ų | 71.9 | 32% | 0.32 | 46% | 0.458 | S | S | . | . | trans | -72.3 | 176.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | N209 L210 | G206-N209 PolarHBondContact O-N 2.98Å; G206-N209 VanDerWaalsContact O-N 3.16Å; G206-L210 PolarHBondContact N-O 2.95Å | ||
| 207 | P | 70.4 | Confident | 67.4 | Low | 111 Ų | 111 | 70.5 Ų | 70.5 | 72% | 0.721 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -48.6 | 143.5 | 168.6 | -25.6 | 34.9 | 0 | 0 | 0 | 111.4 | N209 L210 | P207-N209 VanDerWaalsContact C-N 3.25Å; P207-N209 PolarHBondContact O-N 3.49Å; P207-L210 PolarHBondContact O-N 2.85Å |
| 208 | N | 73.1 | Confident | 68.7 | Low | 153 Ų | 153 | 72.9 Ų | 72.9 | 82% | 0.818 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | 58.7 | 29.3 | -176.3 | -52.4 | -29.3 | 0 | 0 | 0 | 114.8 | L210 | N208-L210 PolarHBondContact O-N 3.05Š|
| 209 | N | 78 | Confident | 69.9 | Low | 120 Ų | 120 | 73 Ų | 73 | 64% | 0.642 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | 60.1 | 24.7 | 179.9 | -60.8 | -26.9 | 0 | 0 | 0 | 114.1 | G206 P207 C217 | G206-N209 PolarHBondContact O-N 2.98Å; G206-N209 VanDerWaalsContact O-N 3.16Å; P207-N209 VanDerWaalsContact C-N 3.25Å; P207-N209 PolarHBondContact O-N 3.49Å; N209-C217 HydrophobicContact CB-CB 3.84Å; N209-C217 VanDerWaalsContact O-CB 3.23Å; N209-C217 WeakPolarHBondContact O-CB 3.46Å |
| 210 | L | 69.9 | Low | 70.5 | Confident | 120 Ų | 120 | 74.5 Ų | 74.5 | 63% | 0.628 | 47% | 0.469 | S | S | * | . | trans | -72.7 | 143 | 178.6 | -74 | 166.4 | 0 | 0 | 0 | 111.7 | G206 P207 N208 | G206-L210 PolarHBondContact N-O 2.95Å; P207-L210 PolarHBondContact O-N 2.85Å; N208-L210 PolarHBondContact O-N 3.05Å | ||
| 211 | C | 58.9 | Low | 70.9 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 20% | 0.196 | 45% | 0.451 | C | S | . | . | trans | -136 | 148.8 | -179.9 | -72.8 | 0 | 0 | 0 | 0 | 110.7 | A215 C217 C222 | C211-A215 HydrophobicContact CB-CB 4.19Å; C211-A215 VanDerWaalsContact CB-O 3.24Å; C211-A215 WeakPolarHBondContact CB-O 3.46Å; C211-C217 PolarHBondContact SG-N 2.86Å; C211-C222 WeakPolarHBondContact CA-SG 3.45Å; C211-C222 HydrophobicContact CB-CB 3.7Å; C211-C222 WeakPolarHBondContact CB-SG 3.46Å; C211-C222 WeakPolarHBondContact SG-CA 3.29Å; C211-C222 WeakPolarHBondContact SG-CB 2.99Å; C211-C222 CovalentContact SG-SG 2.03Å; C211-C222 PolarHBondContact SG-SG 2.9Å | ||
| 212 | P | 60.8 | Low | 71.5 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 49% | 0.494 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -73.5 | 142 | 178.1 | 29.9 | -34.2 | 0 | 0 | 0 | 111.8 | ||
| 213 | G | 65 | Low | 72 | Confident | 84 Ų | 84 | 65.7 Ų | 65.7 | 87% | 0.866 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | -135.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 214 | S | 67.2 | Low | 72.3 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 86% | 0.86 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 12.6 | -179.4 | 52.9 | 0 | 0 | 0 | 0 | 114 | ||
| 215 | A | 69.4 | Low | 71.8 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 11% | 0.107 | 43% | 0.427 | C | S | . | . | trans | -77.9 | 146 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I202 C211 C222 C223 A224 | I202-A215 HydrophobicContact CD1-CB 3.67Å; C211-A215 HydrophobicContact CB-CB 4.19Å; C211-A215 VanDerWaalsContact CB-O 3.24Å; C211-A215 WeakPolarHBondContact CB-O 3.46Å; A215-C222 HydrophobicContact CB-CB 4.29Å; A215-C223 WeakPolarHBondContact CA-O 3.04Å; A215-A224 HydrophobicContact CB-CB 4.37Å | ||
| 216 | S | 76.8 | Confident | 70.6 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 60% | 0.601 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.4 | 178.8 | -68.8 | 0 | 0 | 0 | 0 | 111 | Y218 C223 | S216-Y218 PolarHBondContact O-N 3.37Å; S216-C223 PolarHBondContact N-O 3.34Å; S216-C223 PolarHBondContact O-N 3.16Å |
| 217 | C | 77.3 | Confident | 69.2 | Low | 37 Ų | 37 | 70.8 Ų | 70.8 | 25% | 0.25 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 121.8 | 172.9 | -178.2 | 0 | 0 | 0 | 0 | 111 | C205 N209 C211 | C205-C217 HydrophobicContact CB-CB 3.98Å; C205-C217 WeakPolarHBondContact CB-SG 3.46Å; C205-C217 WeakPolarHBondContact SG-CA 3.03Å; C205-C217 WeakPolarHBondContact SG-CB 3.46Å; C205-C217 CovalentContact SG-SG 2.03Å; C205-C217 PolarHBondContact SG-SG 2.89Å; N209-C217 HydrophobicContact CB-CB 3.84Å; N209-C217 VanDerWaalsContact O-CB 3.23Å; N209-C217 WeakPolarHBondContact O-CB 3.46Å; C211-C217 PolarHBondContact SG-N 2.86Å |
| 218 | Y | 79.6 | Confident | 67.7 | Low | 113 Ų | 113 | 70.3 Ų | 70.3 | 44% | 0.443 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 121.1 | 176.3 | -169 | -94.5 | 0 | 0 | 0 | 110.1 | T190 H192 S216 G220 V221 | T190-Y218 VanDerWaalsContact O-CD1 3.26Å; T190-Y218 WeakPolarHBondContact O-CD1 3.45Å; T190-Y218 WeakPolarHBondContact O-CE1 3.06Å; H192-Y218 HydrophobicContact CB-CE1 3.97Å; S216-Y218 PolarHBondContact O-N 3.37Å; Y218-G220 VanDerWaalsContact C-N 3.27Å; Y218-G220 PolarHBondContact O-N 3.13Å; Y218-V221 PolarHBondContact N-O 3.24Å; Y218-V221 PolarHBondContact O-N 2.03Å; Y218-V221 VanDerWaalsContact O-O 3.12Å |
| 219 | S | 78.4 | Confident | 65.8 | Low | 102 Ų | 102 | 71.6 Ų | 71.6 | 71% | 0.713 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 43.3 | 179.6 | -136.4 | 0 | 0 | 0 | 0 | 114.2 | V221 | S219-V221 VanDerWaalsContact C-N 3.31Å; S219-V221 PolarHBondContact O-N 2.93Å |
| 220 | G | 74.9 | Confident | 63.9 | Low | 43 Ų | 43 | 71 Ų | 71 | 44% | 0.443 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 5.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P204 C205 Y218 | P204-G220 CarbonylContact C-O 3.55Å; P204-G220 WeakPolarHBondContact CA-O 3.44Å; C205-G220 PolarHBondContact N-O 3.25Å; Y218-G220 VanDerWaalsContact C-N 3.27Å; Y218-G220 PolarHBondContact O-N 3.13Å |
| 221 | V | 74.7 | Confident | 62.2 | Low | 9 Ų | 9 | 71.7 Ų | 71.7 | 6% | 0.055 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132 | -176.7 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | V187 T190 P201 C205 Y218 S219 C223 | V187-V221 HydrophobicContact CB-CG1 4.49Å; V187-V221 HydrophobicContact CG1-CB 4.12Å; V187-V221 HydrophobicContact CG1-CG1 3.66Å; V187-V221 HydrophobicContact CG1-CG2 3.33Å; T190-V221 VanDerWaalsContact OG1-CG2 3.24Å; T190-V221 WeakPolarHBondContact OG1-CG2 3.45Å; P201-V221 HydrophobicContact CB-CG1 3.49Å; P201-V221 VanDerWaalsContact CB-CG1 3.49Å; C205-V221 VanDerWaalsContact SG-C 3.51Å; C205-V221 PolarHBondContact SG-N 2.96Å; Y218-V221 PolarHBondContact N-O 3.24Å; Y218-V221 PolarHBondContact O-N 2.03Å; Y218-V221 VanDerWaalsContact O-O 3.12Å; S219-V221 VanDerWaalsContact C-N 3.31Å; S219-V221 PolarHBondContact O-N 2.93Å; V221-C223 PolarHBondContact O-N 3.24Å |
| 222 | C | 77 | Confident | 61.2 | Low | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 113.1 | 171.3 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | I202 C203 C211 A215 | I202-C222 PolarHBondContact N-O 2.89Å; C203-C222 WeakPolarHBondContact O-CB 3.4Å; C203-C222 PolarHBondContact O-N 3.34Å; C203-C222 VanDerWaalsContact SG-SG 3.65Å; C211-C222 WeakPolarHBondContact CA-SG 3.45Å; C211-C222 HydrophobicContact CB-CB 3.7Å; C211-C222 WeakPolarHBondContact CB-SG 3.46Å; C211-C222 WeakPolarHBondContact SG-CA 3.29Å; C211-C222 WeakPolarHBondContact SG-CB 2.99Å; C211-C222 CovalentContact SG-SG 2.03Å; C211-C222 PolarHBondContact SG-SG 2.9Å; A215-C222 HydrophobicContact CB-CB 4.29Å |
| 223 | C | 75.2 | Confident | 60.1 | Low | 13 Ų | 13 | 80.4 Ų | 80.4 | 9% | 0.088 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123 | -178.6 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | C191 Y200 A215 S216 V221 | C191-C223 WeakPolarHBondContact CA-SG 3.44Å; C191-C223 HydrophobicContact CB-CB 3.77Å; C191-C223 WeakPolarHBondContact CB-SG 3.34Å; C191-C223 WeakPolarHBondContact SG-CB 3Å; C191-C223 CovalentContact SG-SG 2.03Å; C191-C223 PolarHBondContact SG-SG 3.23Å; Y200-C223 WeakPolarHBondContact O-CA 3.49Å; A215-C223 WeakPolarHBondContact CA-O 3.04Å; S216-C223 PolarHBondContact N-O 3.34Å; S216-C223 PolarHBondContact O-N 3.16Å; V221-C223 PolarHBondContact O-N 3.24Å |
| 224 | A | 69.9 | Low | 58.7 | Low | 10 Ų | 10 | 82.2 Ų | 82.2 | 8% | 0.083 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 148 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A199 Y200 I202 A215 | A199-A224 CarbonylContact C-O 3.55Å; A199-A224 VanDerWaalsContact CA-O 3.25Å; A199-A224 WeakPolarHBondContact CA-O 3.29Å; Y200-A224 HydrophobicContact CD1-CB 4.31Å; Y200-A224 WeakPolarHBondContact CD1-O 3.31Å; Y200-A224 HydrophobicContact CE1-CB 3.65Å; Y200-A224 HydrophobicContact CE2-CB 4.13Å; Y200-A224 PolarHBondContact N-O 2.94Å; Y200-A224 PolarHBondContact O-N 2.8Å; I202-A224 HydrophobicContact CD1-CB 3.79Å; I202-A224 HydrophobicContact CG1-CB 4.15Å; A215-A224 HydrophobicContact CB-CB 4.37Å |
| 225 | V | 61.8 | Low | 57.4 | Low | 73 Ų | 73 | 82.3 Ų | 82.3 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.1 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | N197 A199 I227 | N197-V225 HydrophobicContact CB-CG1 3.78Å; A199-V225 HydrophobicContact CB-CG2 4.37Å; V225-I227 HydrophobicContact CG1-CG1 4.39Å; V225-I227 PolarHBondContact O-N 3.48Å |
| 226 | V | 52.4 | Low | 56 | Low | 70 Ų | 70 | 88.2 Ų | 88.2 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 104.8 | 164.2 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | I198 Y200 I228 | I198-V226 PolarHBondContact O-N 3.18Å; Y200-V226 HydrophobicContact CD1-CG2 3.78Å; Y200-V226 HydrophobicContact CE1-CG2 3.56Å; V226-I228 HydrophobicContact CG1-CG1 4.24Å; V226-I228 PolarHBondContact O-N 2.97Å |
| 227 | I | 43.3 | Very low | 54 | Low | 102 Ų | 102 | 91.2 Ų | 91.2 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | trans | -74.5 | 91.8 | 179.4 | -55.2 | 176.6 | 0 | 0 | 0 | 108.8 | V225 F229 | V225-I227 HydrophobicContact CG1-CG1 4.39Å; V225-I227 PolarHBondContact O-N 3.48Å; I227-F229 HydrophobicContact CG2-CD1 3.82Å; I227-F229 HydrophobicContact CG2-CD2 4.13Å; I227-F229 HydrophobicContact CG2-CE1 3.89Å; I227-F229 HydrophobicContact CG2-CE2 4.2Å; I227-F229 HydrophobicContact CG2-CG 3.95Å; I227-F229 HydrophobicContact CG2-CZ 4.09Å; I227-F229 WeakPolarHBondContact O-CD2 3.43Å; I227-F229 PolarHBondContact O-N 2.03Å | ||
| 228 | I | 37.2 | Very low | 52.3 | Low | 100 Ų | 100 | 94.7 Ų | 94.7 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | trans | -80 | 78.4 | 168.7 | -50.7 | 175 | 0 | 0 | 0 | 107.3 | I198 V226 P230 | I198-I228 HydrophobicContact CD1-CD1 4.2Å; I198-I228 HydrophobicContact CG1-CD1 4.41Å; V226-I228 HydrophobicContact CG1-CG1 4.24Å; V226-I228 PolarHBondContact O-N 2.97Å; I228-P230 WeakPolarHBondContact O-CD 3.37Å; I228-P230 VanDerWaalsContact O-N 3.12Å | ||
| 229 | F | 33.6 | Very low | 50.2 | Low | 180 Ų | 180 | 94.9 Ų | 94.9 | 79% | 0.789 | 55% | 0.551 | S | S | * | * | trans | -42.6 | 110.1 | -169 | -71.5 | -87.7 | 0 | 0 | 0 | 114.9 | I227 | I227-F229 HydrophobicContact CG2-CD1 3.82Å; I227-F229 HydrophobicContact CG2-CD2 4.13Å; I227-F229 HydrophobicContact CG2-CE1 3.89Å; I227-F229 HydrophobicContact CG2-CE2 4.2Å; I227-F229 HydrophobicContact CG2-CG 3.95Å; I227-F229 HydrophobicContact CG2-CZ 4.09Å; I227-F229 WeakPolarHBondContact O-CD2 3.43Å; I227-F229 PolarHBondContact O-N 2.03Å | ||
| 230 | P | 37.8 | Very low | 48.2 | Very low | 107 Ų | 107 | 98.1 Ų | 98.1 | 70% | 0.695 | 56% | 0.56 | S | S | * | * | trans | -85 | 145.2 | 158.4 | -1.3 | 23.2 | 0 | 0 | 0 | 109.2 | I228 | I228-P230 WeakPolarHBondContact O-CD 3.37Å; I228-P230 VanDerWaalsContact O-N 3.12Å | ||
| 231 | V | 35 | Very low | 46.9 | Very low | 136 Ų | 136 | 101 Ų | 101 | 82% | 0.824 | 57% | 0.57 | S | S | * | * | trans | -75.1 | 167.1 | 171.5 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 232 | V | 37.5 | Very low | 45.6 | Very low | 119 Ų | 119 | 107 Ų | 107 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | trans | 86.6 | 129.3 | 176.1 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 233 | Q | 38.3 | Very low | 44.5 | Very low | 168 Ų | 168 | 117 Ų | 117 | 79% | 0.785 | 65% | 0.647 | S | S | * | * | cis | -150.6 | 144.1 | 19.2 | -149.1 | 154.8 | -25.1 | 0 | 0 | 112.6 | ||||
| 234 | P | 35.8 | Very low | 44.3 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | trans | -100.2 | 145.7 | 168.3 | 36 | -31.1 | 0 | 0 | 0 | 113 | ||||
| 235 | T | 40.1 | Very low | 44.3 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 76% | 0.761 | 69% | 0.693 | S | S | * | * | trans | -114.7 | 99.3 | -167.3 | -36.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 236 | I | 38.8 | Very low | 44.9 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | trans | 64.4 | 103.3 | 139 | -58.4 | 176.4 | 0 | 0 | 0 | 119.8 | ||||
| 237 | L | 35.6 | Very low | 46.3 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | trans | 65.5 | 166.8 | 139 | -91.3 | 64.5 | 0 | 0 | 0 | 120.2 | ||||
| 238 | P | 41.4 | Very low | 48 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 71% | 0.708 | 67% | 0.667 | S | S | * | * | cis | -124.6 | 144.1 | 9.1 | 36.8 | -19.1 | 0 | 0 | 0 | 119 | ||||
| 239 | T | 35.5 | Very low | 49.7 | Very low | 118 Ų | 118 | 119 Ų | 119 | 72% | 0.724 | 66% | 0.663 | S | S | * | * | trans | 45.1 | 115.4 | 142.3 | 61.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 240 | L | 36.3 | Very low | 51.6 | Low | 170 Ų | 170 | 113.9 Ų | 113.9 | 89% | 0.89 | 64% | 0.644 | S | S | * | * | trans | -154.7 | 174.3 | 149.3 | -103.6 | 151.4 | 0 | 0 | 0 | 108.1 | ||||
| 241 | P | 46.8 | Very low | 53.4 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 66% | 0.662 | 64% | 0.64 | S | S | * | * | S | Bend | -80.2 | 173.7 | -129 | 39.5 | -40.5 | 0 | 0 | 0 | 114.8 | R243 | P241-R243 PolarHBondContact O-N 3.41Å; P241-R243 VanDerWaalsContact O-N 3.15Å | |
| 242 | P | 47.1 | Very low | 55.6 | Low | 135 Ų | 135 | 110.4 Ų | 110.4 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 119.7 | -159.5 | 25.8 | -34.5 | 0 | 0 | 0 | 112.7 | ||
| 243 | R | 54.1 | Low | 57.6 | Low | 212 Ų | 212 | 109 Ų | 109 | 80% | 0.8 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 133.1 | -178 | -149.1 | 171.7 | -162.4 | -115.8 | 4.8 | 109.7 | P241 | P241-R243 PolarHBondContact O-N 3.41Å; P241-R243 VanDerWaalsContact O-N 3.15Å |
| 244 | P | 71 | Confident | 59.7 | Low | 111 Ų | 111 | 101.1 Ų | 101.1 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 150 | 174.7 | 25.6 | -34.1 | 0 | 0 | 0 | 111 | ||
| 245 | L | 70.9 | Confident | 62.1 | Low | 76 Ų | 76 | 98.7 Ų | 98.7 | 40% | 0.398 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 140 | 174.1 | -76.3 | 155.7 | 0 | 0 | 0 | 110 | F257 | L245-F257 HydrophobicContact CD2-CD2 3.71Å; L245-F257 HydrophobicContact CD2-CE2 3.63Å; L245-F257 HydrophobicContact CD2-CG 4.29Å; L245-F257 HydrophobicContact CD2-CZ 4.16Å; L245-F257 HydrophobicContact CG-CE2 4.2Å |
| 246 | P | 74.3 | Confident | 64.3 | Low | 30 Ų | 30 | 94.8 Ų | 94.8 | 20% | 0.195 | 54% | 0.543 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 149.1 | -179.6 | 29.1 | -35.3 | 0 | 0 | 0 | 110.6 | A254 F257 | P246-A254 HydrophobicContact CG-CB 3.97Å; P246-A254 VanDerWaalsContact O-CB 3.26Å; P246-A254 WeakPolarHBondContact O-CB 3.31Å; P246-A254 PolarHBondContact O-N 3.39Å; P246-F257 HydrophobicContact CG-CE1 4.46Å |
| 247 | I | 81.2 | Confident | 66.5 | Low | 121 Ų | 121 | 93.6 Ų | 93.6 | 62% | 0.621 | 53% | 0.533 | S | S | * | . | B | Isolated β-bridge | trans | -85.2 | 128.6 | 176 | -60.8 | 169.8 | 0 | 0 | 0 | 108.4 | ||
| 248 | C | 79.9 | Confident | 68.9 | Low | 4 Ų | 4 | 87 Ų | 87 | 3% | 0.027 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 158.8 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 112 | N250 G251 M252 C276 | C248-N250 WeakPolarHBondContact CB-OD1 3.07Å; C248-N250 PolarHBondContact O-N 3.33Å; C248-G251 PolarHBondContact O-N 2.78Å; C248-M252 VanDerWaalsContact CB-O 3.24Å; C248-M252 WeakPolarHBondContact CB-O 3.11Å; C248-M252 PolarHBondContact N-O 2.91Å; C248-C276 WeakPolarHBondContact CA-SG 3.35Å; C248-C276 HydrophobicContact CB-CB 3.7Å; C248-C276 WeakPolarHBondContact CB-SG 3.34Å; C248-C276 WeakPolarHBondContact SG-CA 2.99Å; C248-C276 WeakPolarHBondContact SG-CB 2.97Å; C248-C276 CovalentContact SG-SG 2.03Å; C248-C276 PolarHBondContact SG-SG 2.74Å |
| 249 | P | 73.3 | Confident | 71 | Confident | 67 Ų | 67 | 90 Ų | 90 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -4.6 | -177.4 | -22.9 | 34.7 | 0 | 0 | 0 | 115.9 | L271 Y298 | P249-L271 HydrophobicContact CG-CB 4.48Å; P249-L271 HydrophobicContact CG-CD1 4.2Å; P249-Y298 HydrophobicContact CB-CE2 4.49Å; P249-Y298 VanDerWaalsContact CB-OH 3.28Å; P249-Y298 WeakPolarHBondContact CB-OH 3.47Å; P249-Y298 PolarHBondContact O-OH 2.88Å |
| 250 | N | 72.9 | Confident | 73.3 | Confident | 73 Ų | 73 | 89.5 Ų | 89.5 | 39% | 0.39 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 6.5 | 173.7 | 67 | -11.1 | 0 | 0 | 0 | 113.9 | C248 M252 | C248-N250 WeakPolarHBondContact CB-OD1 3.07Å; C248-N250 PolarHBondContact O-N 3.33Å; N250-M252 VanDerWaalsContact C-N 3.35Å; N250-M252 PolarHBondContact O-N 3Å; N250-M252 WeakPolarHBondContact OD1-CB 3.49Å; N250-M252 PolarHBondContact OD1-N 3.39Å |
| 251 | G | 76.6 | Confident | 75.5 | Confident | 59 Ų | 59 | 84.5 Ų | 84.5 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 85 | -5.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | C248 | C248-G251 PolarHBondContact O-N 2.78Š|
| 252 | M | 80 | Confident | 77.3 | Confident | 110 Ų | 110 | 84.8 Ų | 84.8 | 54% | 0.542 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 146.5 | 175.7 | -61.9 | -80.8 | -86.3 | 0 | 0 | 110.5 | C248 N250 | C248-M252 VanDerWaalsContact CB-O 3.24Å; C248-M252 WeakPolarHBondContact CB-O 3.11Å; C248-M252 PolarHBondContact N-O 2.91Å; N250-M252 VanDerWaalsContact C-N 3.35Å; N250-M252 PolarHBondContact O-N 3Å; N250-M252 WeakPolarHBondContact OD1-CB 3.49Å; N250-M252 PolarHBondContact OD1-N 3.39Å |
| 253 | P | 79.4 | Confident | 79.1 | Confident | 91 Ų | 91 | 82.7 Ų | 82.7 | 59% | 0.591 | 46% | 0.459 | S | S | * | . | B | Isolated β-bridge | trans | -66.1 | 141.3 | 167.5 | 28.9 | -34 | 0 | 0 | 0 | 110.7 | ||
| 254 | A | 82.3 | Confident | 80.6 | Confident | 2 Ų | 2 | 73.5 Ų | 73.5 | 2% | 0.017 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 143.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P246 C275 | P246-A254 HydrophobicContact CG-CB 3.97Å; P246-A254 VanDerWaalsContact O-CB 3.26Å; P246-A254 WeakPolarHBondContact O-CB 3.31Å; P246-A254 PolarHBondContact O-N 3.39Å; A254-C275 WeakPolarHBondContact CA-O 3.42Å |
| 255 | V | 87 | Confident | 81.2 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 44% | 0.436 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -75.6 | -26.1 | -175.7 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | P265 Y268 C275 | V255-P265 HydrophobicContact CG2-CG 4.29Å; V255-Y268 HydrophobicContact CB-CE1 4.36Å; V255-Y268 HydrophobicContact CG1-CD1 4.3Å; V255-Y268 HydrophobicContact CG1-CE1 3.53Å; V255-Y268 HydrophobicContact CG2-CD1 3.77Å; V255-Y268 HydrophobicContact CG2-CE1 3.84Å; V255-Y268 HydrophobicContact CG2-CG 4.31Å; V255-C275 HydrophobicContact CG2-CB 3.81Å; V255-C275 PolarHBondContact N-O 3.24Å; V255-C275 VanDerWaalsContact N-O 3.12Å |
| 256 | C | 85 | Confident | 81.8 | Confident | 42 Ų | 42 | 73.6 Ų | 73.6 | 28% | 0.284 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -159.1 | 167.5 | 171.8 | 57 | 0 | 0 | 0 | 0 | 109.8 | G274 C275 | C256-G274 CarbonylContact O-C 3.56Å; C256-G274 VanDerWaalsContact O-CA 3.3Å; C256-G274 WeakPolarHBondContact O-CA 3.29Å; C256-C275 PolarHBondContact O-N 2.9Å; C256-C275 PolarHBondContact SG-SG 2.91Å |
| 257 | F | 86.1 | Confident | 82.1 | Confident | 113 Ų | 113 | 74.4 Ų | 74.4 | 50% | 0.496 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 154.4 | 169.2 | -68.1 | -84.3 | 0 | 0 | 0 | 111.4 | L245 P246 G273 | L245-F257 HydrophobicContact CD2-CD2 3.71Å; L245-F257 HydrophobicContact CD2-CE2 3.63Å; L245-F257 HydrophobicContact CD2-CG 4.29Å; L245-F257 HydrophobicContact CD2-CZ 4.16Å; L245-F257 HydrophobicContact CG-CE2 4.2Å; P246-F257 HydrophobicContact CG-CE1 4.46Å; F257-G273 CarbonylContact C-O 3.6Å; F257-G273 WeakPolarHBondContact CA-O 3.02Å |
| 258 | C | 86 | Confident | 82.4 | Confident | 11 Ų | 11 | 72.6 Ų | 72.6 | 7% | 0.074 | 43% | 0.432 | C | S | . | . | trans | -154.3 | 159.5 | 176.1 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | Q263 C270 G273 G274 C275 | C258-Q263 HydrophobicContact CB-CB 4.31Å; C258-C270 HydrophobicContact CB-CB 3.91Å; C258-C270 WeakPolarHBondContact CB-SG 3.45Å; C258-C270 PolarHBondContact O-SG 3.14Å; C258-C270 WeakPolarHBondContact SG-CA 3.34Å; C258-C270 WeakPolarHBondContact SG-CB 3.4Å; C258-C270 CovalentContact SG-SG 2.03Å; C258-C270 PolarHBondContact SG-SG 3.02Å; C258-G273 PolarHBondContact N-O 2.76Å; C258-G273 CarbonylContact O-C 3.54Å; C258-G273 WeakPolarHBondContact O-CA 3.46Å; C258-G274 PolarHBondContact SG-O 3.04Å; C258-C275 VanDerWaalsContact CB-SG 3.59Å | ||
| 259 | Q | 85.6 | Confident | 82.7 | Confident | 170 Ų | 170 | 73.8 Ų | 73.8 | 79% | 0.794 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -115.6 | -23.7 | 166.4 | -59.4 | -179.6 | -68.4 | 0 | 0 | 111.7 | ||
| 260 | L | 84.1 | Confident | 83.3 | Confident | 108 Ų | 108 | 71.8 Ų | 71.8 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -139.2 | 143.6 | -177.2 | -69.1 | 165.2 | 0 | 0 | 0 | 109.3 | S262 Q263 | L260-S262 PolarHBondContact O-N 3.29Å; L260-S262 VanDerWaalsContact O-N 3.12Å; L260-Q263 HydrophobicContact CB-CG 4.46Å; L260-Q263 WeakPolarHBondContact O-CB 3.21Å; L260-Q263 PolarHBondContact O-N 3.28Å |
| 261 | S | 81.5 | Confident | 83.7 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -63 | -18.8 | 179.2 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | Q263 C264 C270 | S261-Q263 PolarHBondContact O-N 3.46Å; S261-C264 WeakPolarHBondContact O-CB 3.5Å; S261-C264 PolarHBondContact O-N 3.44Å; S261-C270 PolarHBondContact OG-N 2.92Å |
| 262 | S | 85.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 73.6 Ų | 73.6 | 76% | 0.755 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -67.6 | -10.6 | 171.3 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | L260 | L260-S262 PolarHBondContact O-N 3.29Å; L260-S262 VanDerWaalsContact O-N 3.12Å |
| 263 | Q | 85.1 | Confident | 83.9 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -92.1 | -2.4 | 175.3 | -60.5 | 169.2 | -16.2 | 0 | 0 | 112.4 | C258 L260 S261 | C258-Q263 HydrophobicContact CB-CB 4.31Å; L260-Q263 HydrophobicContact CB-CG 4.46Å; L260-Q263 WeakPolarHBondContact O-CB 3.21Å; L260-Q263 PolarHBondContact O-N 3.28Å; S261-Q263 PolarHBondContact O-N 3.46Å |
| 264 | C | 84.6 | Confident | 84.2 | Confident | 20 Ų | 20 | 65.6 Ų | 65.6 | 14% | 0.135 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -96.2 | 150.4 | -177.3 | -63.2 | 0 | 0 | 0 | 0 | 113 | S261 C275 | S261-C264 WeakPolarHBondContact O-CB 3.5Å; S261-C264 PolarHBondContact O-N 3.44Å; C264-C275 WeakPolarHBondContact CA-SG 3.42Å; C264-C275 HydrophobicContact CB-CB 3.73Å; C264-C275 WeakPolarHBondContact CB-SG 3.47Å; C264-C275 VanDerWaalsContact SG-CA 3.53Å; C264-C275 WeakPolarHBondContact SG-CB 3.33Å; C264-C275 CovalentContact SG-SG 2.04Å; C264-C275 PolarHBondContact SG-SG 3.28Å |
| 265 | P | 84.6 | Confident | 84.6 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 154 | 169.2 | -22 | 33.5 | 0 | 0 | 0 | 112.1 | V255 G267 Y268 | V255-P265 HydrophobicContact CG2-CG 4.29Å; P265-G267 PolarHBondContact O-N 2.82Å; P265-Y268 HydrophobicContact CB-CD2 4.04Å; P265-Y268 WeakPolarHBondContact O-CB 3.39Å; P265-Y268 PolarHBondContact O-N 3.35Å |
| 266 | P | 82 | Confident | 84.5 | Confident | 132 Ų | 132 | 62.1 Ų | 62.1 | 86% | 0.857 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 134.1 | 174.1 | -27.2 | 35.5 | 0 | 0 | 0 | 112.4 | Y268 | P266-Y268 VanDerWaalsContact C-N 3.34Š|
| 267 | G | 82.2 | Confident | 84.4 | Confident | 47 Ų | 47 | 62 Ų | 62 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -0.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P265 Q278 | P265-G267 PolarHBondContact O-N 2.82Å; G267-Q278 WeakPolarHBondContact O-CB 3.31Å; G267-Q278 PolarHBondContact O-N 2.85Å |
| 268 | Y | 87.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 152.8 | 173.1 | -65.6 | -106.4 | 0 | 0 | 0 | 111 | V255 P265 P266 C276 P277 | V255-Y268 HydrophobicContact CB-CE1 4.36Å; V255-Y268 HydrophobicContact CG1-CD1 4.3Å; V255-Y268 HydrophobicContact CG1-CE1 3.53Å; V255-Y268 HydrophobicContact CG2-CD1 3.77Å; V255-Y268 HydrophobicContact CG2-CE1 3.84Å; V255-Y268 HydrophobicContact CG2-CG 4.31Å; P265-Y268 HydrophobicContact CB-CD2 4.04Å; P265-Y268 WeakPolarHBondContact O-CB 3.39Å; P265-Y268 PolarHBondContact O-N 3.35Å; P266-Y268 VanDerWaalsContact C-N 3.34Å; Y268-C276 CarbonylContact C-O 3.51Å; Y268-C276 VanDerWaalsContact CA-O 3.27Å; Y268-C276 WeakPolarHBondContact CA-O 3.43Å; Y268-C276 VanDerWaalsContact CD1-C 3.46Å; Y268-P277 HydrophobicContact CD1-CB 4.28Å; Y268-P277 HydrophobicContact CE1-CB 4.05Å; Y268-P277 HydrophobicContact CE1-CG 4.47Å |
| 269 | S | 85.4 | Confident | 82.1 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 20% | 0.196 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149.7 | 177.6 | -66.4 | 0 | 0 | 0 | 0 | 110 | L271 C276 | S269-L271 PolarHBondContact O-N 2.96Å; S269-C276 PolarHBondContact N-O 3.38Å; S269-C276 PolarHBondContact O-N 3.04Å |
| 270 | C | 85.3 | Confident | 80.4 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 18% | 0.176 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 113.3 | -178.5 | -168.4 | 0 | 0 | 0 | 0 | 110.9 | C258 S261 | C258-C270 HydrophobicContact CB-CB 3.91Å; C258-C270 WeakPolarHBondContact CB-SG 3.45Å; C258-C270 PolarHBondContact O-SG 3.14Å; C258-C270 WeakPolarHBondContact SG-CA 3.34Å; C258-C270 WeakPolarHBondContact SG-CB 3.4Å; C258-C270 CovalentContact SG-SG 2.03Å; C258-C270 PolarHBondContact SG-SG 3.02Å; S261-C270 PolarHBondContact OG-N 2.92Å |
| 271 | L | 82.7 | Confident | 78.7 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 41% | 0.414 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 129.9 | -178.7 | -64.8 | 175.6 | 0 | 0 | 0 | 109.5 | P249 S269 G273 G274 C276 | P249-L271 HydrophobicContact CG-CB 4.48Å; P249-L271 HydrophobicContact CG-CD1 4.2Å; S269-L271 PolarHBondContact O-N 2.96Å; L271-G273 PolarHBondContact O-N 2.74Å; L271-G274 PolarHBondContact N-O 3.48Å; L271-G274 PolarHBondContact O-N 2.69Å; L271-C276 HydrophobicContact CB-CB 4.15Å; L271-C276 HydrophobicContact CD1-CB 3.99Å; L271-C276 HydrophobicContact CG-CB 4.39Å |
| 272 | A | 78.9 | Confident | 77.2 | Confident | 91 Ų | 91 | 71.8 Ų | 71.8 | 75% | 0.752 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 29.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 273 | G | 80.8 | Confident | 76.1 | Confident | 32 Ų | 32 | 72.1 Ų | 72.1 | 33% | 0.33 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 9.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | F257 C258 L271 | F257-G273 CarbonylContact C-O 3.6Å; F257-G273 WeakPolarHBondContact CA-O 3.02Å; C258-G273 PolarHBondContact N-O 2.76Å; C258-G273 CarbonylContact O-C 3.54Å; C258-G273 WeakPolarHBondContact O-CA 3.46Å; L271-G273 PolarHBondContact O-N 2.74Å |
| 274 | G | 85.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | C256 C258 L271 C276 | C256-G274 CarbonylContact O-C 3.56Å; C256-G274 VanDerWaalsContact O-CA 3.3Å; C256-G274 WeakPolarHBondContact O-CA 3.29Å; C258-G274 PolarHBondContact SG-O 3.04Å; L271-G274 PolarHBondContact N-O 3.48Å; L271-G274 PolarHBondContact O-N 2.69Å; G274-C276 PolarHBondContact O-N 2.83Å |
| 275 | C | 90.3 | Very high | 74.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.9 | 174.5 | -68.6 | 0 | 0 | 0 | 0 | 110.5 | A254 V255 C256 C258 C264 | A254-C275 WeakPolarHBondContact CA-O 3.42Å; V255-C275 HydrophobicContact CG2-CB 3.81Å; V255-C275 PolarHBondContact N-O 3.24Å; V255-C275 VanDerWaalsContact N-O 3.12Å; C256-C275 PolarHBondContact O-N 2.9Å; C256-C275 PolarHBondContact SG-SG 2.91Å; C258-C275 VanDerWaalsContact CB-SG 3.59Å; C264-C275 WeakPolarHBondContact CA-SG 3.42Å; C264-C275 HydrophobicContact CB-CB 3.73Å; C264-C275 WeakPolarHBondContact CB-SG 3.47Å; C264-C275 VanDerWaalsContact SG-CA 3.53Å; C264-C275 WeakPolarHBondContact SG-CB 3.33Å; C264-C275 CovalentContact SG-SG 2.04Å; C264-C275 PolarHBondContact SG-SG 3.28Å |
| 276 | C | 86.3 | Confident | 74.5 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.014 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.8 | -172 | -68 | 0 | 0 | 0 | 0 | 110.9 | C248 Y268 S269 L271 G274 Q278 | C248-C276 WeakPolarHBondContact CA-SG 3.35Å; C248-C276 HydrophobicContact CB-CB 3.7Å; C248-C276 WeakPolarHBondContact CB-SG 3.34Å; C248-C276 WeakPolarHBondContact SG-CA 2.99Å; C248-C276 WeakPolarHBondContact SG-CB 2.97Å; C248-C276 CovalentContact SG-SG 2.03Å; C248-C276 PolarHBondContact SG-SG 2.74Å; Y268-C276 CarbonylContact C-O 3.51Å; Y268-C276 VanDerWaalsContact CA-O 3.27Å; Y268-C276 WeakPolarHBondContact CA-O 3.43Å; Y268-C276 VanDerWaalsContact CD1-C 3.46Å; S269-C276 PolarHBondContact N-O 3.38Å; S269-C276 PolarHBondContact O-N 3.04Å; L271-C276 HydrophobicContact CB-CB 4.15Å; L271-C276 HydrophobicContact CD1-CB 3.99Å; L271-C276 HydrophobicContact CG-CB 4.39Å; G274-C276 PolarHBondContact O-N 2.83Å; C276-Q278 PolarHBondContact O-N 3.31Å |
| 277 | P | 81.7 | Confident | 74.4 | Confident | 39 Ų | 39 | 69 Ų | 69 | 25% | 0.253 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 136.6 | -174.1 | 26.7 | -34.7 | 0 | 0 | 0 | 111.1 | Y268 V279 | Y268-P277 HydrophobicContact CD1-CB 4.28Å; Y268-P277 HydrophobicContact CE1-CB 4.05Å; Y268-P277 HydrophobicContact CE1-CG 4.47Å; P277-V279 VanDerWaalsContact C-N 3.28Å; P277-V279 PolarHBondContact O-N 2.84Å |
| 278 | Q | 66.6 | Low | 74.3 | Confident | 140 Ų | 140 | 71.6 Ų | 71.6 | 65% | 0.654 | 42% | 0.419 | S | S | * | . | trans | -76.7 | 75.6 | -175.4 | -167.1 | 179.7 | 6.3 | 0 | 0 | 111 | G267 C276 T280 | G267-Q278 WeakPolarHBondContact O-CB 3.31Å; G267-Q278 PolarHBondContact O-N 2.85Å; C276-Q278 PolarHBondContact O-N 3.31Å; Q278-T280 PolarHBondContact O-N 3.21Å | ||
| 279 | V | 57.4 | Low | 73.9 | Confident | 106 Ų | 106 | 71.8 Ų | 71.8 | 64% | 0.642 | 43% | 0.425 | S | S | * | . | trans | -58.9 | 127.4 | 173 | -90.2 | 0 | 0 | 0 | 0 | 110.7 | P277 | P277-V279 VanDerWaalsContact C-N 3.28Å; P277-V279 PolarHBondContact O-N 2.84Å | ||
| 280 | T | 50.9 | Low | 73.6 | Confident | 129 Ų | 129 | 73.2 Ų | 73.2 | 79% | 0.791 | 44% | 0.444 | S | S | * | . | trans | -52.5 | 135.8 | 173.1 | 47.8 | 0 | 0 | 0 | 0 | 110.5 | Q278 K282 | Q278-T280 PolarHBondContact O-N 3.21Å; T280-K282 PolarHBondContact O-N 2.99Å | ||
| 281 | P | 48.3 | Very low | 73.4 | Confident | 123 Ų | 123 | 77 Ų | 77 | 80% | 0.799 | 46% | 0.46 | S | S | * | . | trans | -64.1 | 111.9 | -167.9 | 24.8 | -34.2 | 0 | 0 | 0 | 111.6 | ||||
| 282 | K | 50.1 | Low | 73.3 | Confident | 176 Ų | 176 | 77.7 Ų | 77.7 | 77% | 0.765 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -60 | 134.1 | 161.8 | -172.1 | 178.5 | -177.7 | -178.7 | 0 | 107.5 | T280 F284 | T280-K282 PolarHBondContact O-N 2.99Å; K282-F284 PolarHBondContact O-N 2.81Å |
| 283 | P | 61.8 | Low | 73.3 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 74% | 0.74 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 134.2 | -179.6 | 22.6 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 284 | F | 67.1 | Low | 73.4 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 42% | 0.421 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 140.7 | 175.1 | -66.7 | -67.8 | 0 | 0 | 0 | 110 | K282 T292 A293 L296 | K282-F284 PolarHBondContact O-N 2.81Å; F284-T292 HydrophobicContact CB-CG2 3.68Å; F284-T292 HydrophobicContact CD2-CG2 4.4Å; F284-A293 HydrophobicContact CB-CB 4.38Å; F284-A293 WeakPolarHBondContact CB-O 3.32Å; F284-A293 WeakPolarHBondContact CG-O 3.34Å; F284-L296 HydrophobicContact CD1-CD2 4.04Å; F284-L296 HydrophobicContact CD1-CG 3.98Å; F284-L296 HydrophobicContact CE1-CG 4.1Å |
| 285 | P | 73 | Confident | 73.2 | Confident | 35 Ų | 35 | 76.7 Ų | 76.7 | 23% | 0.227 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 150.5 | 179.8 | 29 | -35.5 | 0 | 0 | 0 | 111.2 | A293 L296 | P285-A293 HydrophobicContact CG-CB 4.16Å; P285-A293 WeakPolarHBondContact O-CB 3.02Å; P285-A293 PolarHBondContact O-N 3.44Å; P285-L296 HydrophobicContact CG-CD2 4.47Å |
| 286 | T | 80.6 | Confident | 72.8 | Confident | 97 Ų | 97 | 80.7 Ų | 80.7 | 60% | 0.595 | 47% | 0.468 | S | S | * | . | B | Isolated β-bridge | trans | -78.9 | 129.5 | 174.5 | -43.3 | 0 | 0 | 0 | 0 | 110 | ||
| 287 | C | 79.2 | Confident | 72.4 | Confident | 6 Ų | 6 | 81 Ų | 81 | 4% | 0.041 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 159.6 | 176.6 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | N289 G290 Q291 C317 | C287-N289 VanDerWaalsContact CB-OD1 3.24Å; C287-N289 WeakPolarHBondContact CB-OD1 3.42Å; C287-N289 PolarHBondContact O-N 2.65Å; C287-G290 PolarHBondContact O-N 3.38Å; C287-Q291 VanDerWaalsContact CB-O 3.31Å; C287-Q291 WeakPolarHBondContact CB-O 3.41Å; C287-Q291 PolarHBondContact N-O 3.07Å; C287-C317 WeakPolarHBondContact CA-SG 3.46Å; C287-C317 HydrophobicContact CB-CB 3.67Å; C287-C317 WeakPolarHBondContact CB-SG 3.27Å; C287-C317 WeakPolarHBondContact SG-CA 3.37Å; C287-C317 WeakPolarHBondContact SG-CB 3.44Å; C287-C317 CovalentContact SG-SG 2.03Å; C287-C317 PolarHBondContact SG-SG 2.04Å |
| 288 | P | 80.7 | Confident | 72 | Confident | 101 Ų | 101 | 85.6 Ų | 85.6 | 66% | 0.656 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.5 | -179.6 | -25.2 | 34.9 | 0 | 0 | 0 | 114.8 | G290 I312 | P288-G290 VanDerWaalsContact C-N 3.32Å; P288-I312 HydrophobicContact CG-CD1 4.26Å; P288-I312 HydrophobicContact CG-CG2 3.81Å |
| 289 | N | 78.7 | Confident | 71.7 | Confident | 87 Ų | 87 | 81 Ų | 81 | 47% | 0.465 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 7.2 | 175.5 | 70.4 | -9 | 0 | 0 | 0 | 113.8 | C287 Q291 | C287-N289 VanDerWaalsContact CB-OD1 3.24Å; C287-N289 WeakPolarHBondContact CB-OD1 3.42Å; C287-N289 PolarHBondContact O-N 2.65Å; N289-Q291 VanDerWaalsContact C-N 3.31Å; N289-Q291 PolarHBondContact ND2-OE1 2.04Å; N289-Q291 PolarHBondContact O-N 2.85Å; N289-Q291 WeakPolarHBondContact OD1-CB 3.3Å; N289-Q291 PolarHBondContact OD1-N 3.39Å; N289-Q291 VanDerWaalsContact OD1-N 3.07Å |
| 290 | G | 79.7 | Confident | 71.5 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 60% | 0.598 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 82.5 | -5.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | C287 P288 | C287-G290 PolarHBondContact O-N 3.38Å; P288-G290 VanDerWaalsContact C-N 3.32Å |
| 291 | Q | 81.7 | Confident | 71.7 | Confident | 106 Ų | 106 | 80.5 Ų | 80.5 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 155.5 | 177.7 | -64 | 178.7 | -32.6 | 0 | 0 | 111.8 | C287 N289 | C287-Q291 VanDerWaalsContact CB-O 3.31Å; C287-Q291 WeakPolarHBondContact CB-O 3.41Å; C287-Q291 PolarHBondContact N-O 3.07Å; N289-Q291 VanDerWaalsContact C-N 3.31Å; N289-Q291 PolarHBondContact ND2-OE1 2.04Å; N289-Q291 PolarHBondContact O-N 2.85Å; N289-Q291 WeakPolarHBondContact OD1-CB 3.3Å; N289-Q291 PolarHBondContact OD1-N 3.39Å; N289-Q291 VanDerWaalsContact OD1-N 3.07Å |
| 292 | T | 79.8 | Confident | 72 | Confident | 94 Ų | 94 | 82 Ų | 82 | 58% | 0.577 | 48% | 0.481 | S | S | * | . | B | Isolated β-bridge | trans | -76.2 | 133.5 | 170.9 | -50.5 | 0 | 0 | 0 | 0 | 110 | F284 | F284-T292 HydrophobicContact CB-CG2 3.68Å; F284-T292 HydrophobicContact CD2-CG2 4.4Å |
| 293 | A | 78.5 | Confident | 72.5 | Confident | 2 Ų | 2 | 76.3 Ų | 76.3 | 2% | 0.017 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 140.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | F284 P285 C316 | F284-A293 HydrophobicContact CB-CB 4.38Å; F284-A293 WeakPolarHBondContact CB-O 3.32Å; F284-A293 WeakPolarHBondContact CG-O 3.34Å; P285-A293 HydrophobicContact CG-CB 4.16Å; P285-A293 WeakPolarHBondContact O-CB 3.02Å; P285-A293 PolarHBondContact O-N 3.44Å; A293-C316 WeakPolarHBondContact CA-O 3.36Å; A293-C316 WeakPolarHBondContact CB-O 3.04Å |
| 294 | V | 84 | Confident | 72.9 | Confident | 69 Ų | 69 | 78.1 Ų | 78.1 | 42% | 0.418 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -78.5 | -20.9 | -174.1 | -63.5 | 0 | 0 | 0 | 0 | 113.8 | P306 Y309 C316 | V294-P306 HydrophobicContact CG2-CG 4.1Å; V294-Y309 HydrophobicContact CB-CE1 4.12Å; V294-Y309 HydrophobicContact CG1-CD1 4.24Å; V294-Y309 HydrophobicContact CG1-CE1 3.43Å; V294-Y309 VanDerWaalsContact CG1-CE1 3.43Å; V294-Y309 HydrophobicContact CG2-CD1 3.5Å; V294-Y309 VanDerWaalsContact CG2-CD1 3.5Å; V294-Y309 HydrophobicContact CG2-CD2 4.47Å; V294-Y309 HydrophobicContact CG2-CE1 3.52Å; V294-Y309 HydrophobicContact CG2-CE2 4.49Å; V294-Y309 HydrophobicContact CG2-CG 4.03Å; V294-C316 HydrophobicContact CG2-CB 3.98Å; V294-C316 PolarHBondContact N-O 3.05Å; V294-C316 VanDerWaalsContact N-O 3.08Å |
| 295 | S | 80 | Confident | 73.3 | Confident | 31 Ų | 31 | 74.8 Ų | 74.8 | 22% | 0.217 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -158.1 | 167.8 | 175 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | G315 C316 | S295-G315 CarbonylContact O-C 3.58Å; S295-G315 WeakPolarHBondContact O-CA 3.49Å; S295-C316 PolarHBondContact O-N 3.05Å; S295-C316 WeakPolarHBondContact OG-CB 2.98Å; S295-C316 PolarHBondContact OG-SG 2.76Å |
| 296 | L | 81.7 | Confident | 73.3 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 44% | 0.44 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -85.7 | 150.7 | 171 | -65.2 | 174.9 | 0 | 0 | 0 | 110.8 | F284 P285 G314 | F284-L296 HydrophobicContact CD1-CD2 4.04Å; F284-L296 HydrophobicContact CD1-CG 3.98Å; F284-L296 HydrophobicContact CE1-CG 4.1Å; P285-L296 HydrophobicContact CG-CD2 4.47Å; L296-G314 WeakPolarHBondContact CA-O 3.31Å; L296-G314 WeakPolarHBondContact CD2-O 3.14Å |
| 297 | C | 79.4 | Confident | 72.8 | Confident | 9 Ų | 9 | 75.9 Ų | 75.9 | 6% | 0.061 | 46% | 0.462 | C | S | . | . | trans | -140.7 | 156.7 | -179.9 | 66.1 | 0 | 0 | 0 | 0 | 112.2 | C311 G314 G315 | C297-C311 HydrophobicContact CB-CB 3.71Å; C297-C311 WeakPolarHBondContact CB-SG 3.26Å; C297-C311 WeakPolarHBondContact SG-CA 3.3Å; C297-C311 WeakPolarHBondContact SG-CB 3.32Å; C297-C311 CovalentContact SG-SG 2.03Å; C297-C311 PolarHBondContact SG-SG 3.05Å; C297-G314 PolarHBondContact N-O 2.94Å; C297-G314 WeakPolarHBondContact O-CA 3.24Å; C297-G315 PolarHBondContact SG-N 2.79Å; C297-G315 VanDerWaalsContact SG-N 3.41Å; C297-G315 PolarHBondContact SG-O 2.69Å | ||
| 298 | Y | 73.4 | Confident | 72.5 | Confident | 135 Ų | 135 | 77.7 Ų | 77.7 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | trans | -122.1 | 83.6 | -171.8 | -67.5 | -94.2 | 0 | 0 | 0 | 111.2 | P249 | P249-Y298 HydrophobicContact CB-CE2 4.49Å; P249-Y298 VanDerWaalsContact CB-OH 3.28Å; P249-Y298 WeakPolarHBondContact CB-OH 3.47Å; P249-Y298 PolarHBondContact O-OH 2.88Å | ||
| 299 | G | 59.5 | Low | 72.4 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 45% | 0.454 | 45% | 0.454 | S | S | . | . | S | Bend | trans | 74.7 | 169.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | G301 | G299-G301 PolarHBondContact O-N 3.2Š|
| 300 | V | 53.2 | Low | 72.3 | Confident | 150 Ų | 150 | 75.5 Ų | 75.5 | 91% | 0.909 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 120.2 | 173.9 | -78 | 0 | 0 | 0 | 0 | 110 | ||
| 301 | G | 55.6 | Low | 72.3 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 75% | 0.753 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.5 | -8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | G299 | G299-G301 PolarHBondContact O-N 3.2Š|
| 302 | Q | 54.8 | Low | 72.2 | Confident | 155 Ų | 155 | 71.2 Ų | 71.2 | 72% | 0.724 | 42% | 0.415 | S | S | * | . | trans | -133.7 | 34.7 | 174.8 | -66.1 | -169.3 | -12.8 | 0 | 0 | 112.7 | N304 | Q302-N304 PolarHBondContact O-N 3.2Š| ||
| 303 | S | 59.4 | Low | 72 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 39% | 0.392 | 42% | 0.423 | S | S | . | . | trans | -80.1 | 98 | -177.9 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | C305 | S303-C305 PolarHBondContact O-N 2.92Š| ||
| 304 | N | 70.7 | Confident | 72 | Confident | 153 Ų | 153 | 74.6 Ų | 74.6 | 82% | 0.818 | 44% | 0.436 | S | S | * | . | trans | -71 | 43 | 165.5 | -67.7 | -7.9 | 0 | 0 | 0 | 112.1 | Q302 | Q302-N304 PolarHBondContact O-N 3.2Š| ||
| 305 | C | 75.1 | Confident | 72 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 17% | 0.169 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 146.2 | 179.5 | -67 | 0 | 0 | 0 | 0 | 110.9 | S303 Y309 C316 | S303-C305 PolarHBondContact O-N 2.92Å; C305-Y309 WeakPolarHBondContact CB-O 3.35Å; C305-C316 WeakPolarHBondContact CA-SG 2.98Å; C305-C316 HydrophobicContact CB-CB 3.71Å; C305-C316 WeakPolarHBondContact CB-SG 3.28Å; C305-C316 VanDerWaalsContact SG-CA 3.51Å; C305-C316 WeakPolarHBondContact SG-CB 3.33Å; C305-C316 CovalentContact SG-SG 2.04Å; C305-C316 PolarHBondContact SG-SG 2.56Å |
| 306 | P | 74.5 | Confident | 72.2 | Confident | 63 Ų | 63 | 69.9 Ų | 69.9 | 41% | 0.409 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 159.5 | 171.5 | -20 | 32.4 | 0 | 0 | 0 | 111.4 | V294 N308 Y309 | V294-P306 HydrophobicContact CG2-CG 4.1Å; P306-N308 PolarHBondContact O-N 2.79Å; P306-Y309 HydrophobicContact CB-CD2 3.85Å; P306-Y309 HydrophobicContact CB-CE2 4.27Å; P306-Y309 HydrophobicContact CG-CD2 4.3Å; P306-Y309 WeakPolarHBondContact O-CB 3.35Å; P306-Y309 PolarHBondContact O-N 3.44Å |
| 307 | V | 70 | Confident | 72.3 | Confident | 92 Ų | 92 | 66 Ų | 66 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 133.2 | 173.4 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | Y309 Q332 | V307-Y309 WeakPolarHBondContact O-CD2 3.45Å; V307-Q332 HydrophobicContact CG1-CB 3.76Å |
| 308 | N | 71.9 | Confident | 72.4 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.241 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 12.9 | -175.2 | -51.5 | -22.1 | 0 | 0 | 0 | 116.7 | P306 V319 Q332 L333 | P306-N308 PolarHBondContact O-N 2.79Å; N308-V319 PolarHBondContact O-N 2.81Å; N308-Q332 WeakPolarHBondContact OD1-CA 3.47Å; N308-Q332 WeakPolarHBondContact OD1-CB 3.4Å; N308-L333 PolarHBondContact OD1-N 3.24Å |
| 309 | Y | 78.9 | Confident | 72.6 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 132.2 | 171.9 | -62.7 | -104.9 | 0 | 0 | 0 | 111.4 | V294 C305 P306 V307 C317 P318 | V294-Y309 HydrophobicContact CB-CE1 4.12Å; V294-Y309 HydrophobicContact CG1-CD1 4.24Å; V294-Y309 HydrophobicContact CG1-CE1 3.43Å; V294-Y309 VanDerWaalsContact CG1-CE1 3.43Å; V294-Y309 HydrophobicContact CG2-CD1 3.5Å; V294-Y309 VanDerWaalsContact CG2-CD1 3.5Å; V294-Y309 HydrophobicContact CG2-CD2 4.47Å; V294-Y309 HydrophobicContact CG2-CE1 3.52Å; V294-Y309 HydrophobicContact CG2-CE2 4.49Å; V294-Y309 HydrophobicContact CG2-CG 4.03Å; C305-Y309 WeakPolarHBondContact CB-O 3.35Å; P306-Y309 HydrophobicContact CB-CD2 3.85Å; P306-Y309 HydrophobicContact CB-CE2 4.27Å; P306-Y309 HydrophobicContact CG-CD2 4.3Å; P306-Y309 WeakPolarHBondContact O-CB 3.35Å; P306-Y309 PolarHBondContact O-N 3.44Å; V307-Y309 WeakPolarHBondContact O-CD2 3.45Å; Y309-C317 CarbonylContact C-O 3.52Å; Y309-C317 VanDerWaalsContact CA-O 3.3Å; Y309-C317 WeakPolarHBondContact CA-O 3.18Å; Y309-P318 HydrophobicContact CD1-CB 3.89Å; Y309-P318 HydrophobicContact CD1-CG 4.28Å; Y309-P318 VanDerWaalsContact CD1-N 3.29Å; Y309-P318 HydrophobicContact CE1-CB 3.65Å; Y309-P318 HydrophobicContact CE1-CG 3.9Å |
| 310 | E | 77.4 | Confident | 73.5 | Confident | 69 Ų | 69 | 66 Ų | 66 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 158.1 | 170.1 | -71.6 | -165.2 | 150.6 | 0 | 0 | 111.5 | I312 C316 C317 V319 L333 R349 | E310-I312 PolarHBondContact O-N 3.13Å; E310-C316 WeakPolarHBondContact O-CA 3.04Å; E310-C317 PolarHBondContact N-O 3.07Å; E310-C317 PolarHBondContact O-N 2.79Å; E310-V319 HydrophobicContact CB-CG1 3.85Å; E310-V319 HydrophobicContact CG-CG1 4.01Å; E310-V319 HydrophobicContact CG-CG2 3.98Å; E310-L333 HydrophobicContact CG-CD1 4.24Å; E310-R349 IonicContact OE1-CZ 3.96Å; E310-R349 IonicContact OE1-NH1 2.7Å; E310-R349 PolarHBondContact OE1-NH1 2.75Å |
| 311 | C | 79.8 | Confident | 74.8 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 20% | 0.196 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 102.7 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | C297 | C297-C311 HydrophobicContact CB-CB 3.71Å; C297-C311 WeakPolarHBondContact CB-SG 3.26Å; C297-C311 WeakPolarHBondContact SG-CA 3.3Å; C297-C311 WeakPolarHBondContact SG-CB 3.32Å; C297-C311 CovalentContact SG-SG 2.03Å; C297-C311 PolarHBondContact SG-SG 3.05Å |
| 312 | I | 78.6 | Confident | 76 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.7 | -179.9 | -50.8 | -179.3 | 0 | 0 | 0 | 109 | P288 E310 G314 G315 C317 V319 | P288-I312 HydrophobicContact CG-CD1 4.26Å; P288-I312 HydrophobicContact CG-CG2 3.81Å; E310-I312 PolarHBondContact O-N 3.13Å; I312-G314 PolarHBondContact O-N 3.34Å; I312-G315 PolarHBondContact N-O 2.93Å; I312-G315 PolarHBondContact O-N 3.11Å; I312-G315 VanDerWaalsContact O-O 3.06Å; I312-C317 HydrophobicContact CB-CB 4.08Å; I312-C317 HydrophobicContact CD1-CB 3.89Å; I312-C317 HydrophobicContact CG1-CB 4.07Å; I312-V319 HydrophobicContact CD1-CG1 4.19Å |
| 313 | N | 76.6 | Confident | 77.4 | Confident | 139 Ų | 139 | 55.5 Ų | 55.5 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 30.4 | 179.3 | -61.9 | -26.2 | 0 | 0 | 0 | 114.9 | ||
| 314 | G | 77.6 | Confident | 78.5 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 7.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L296 C297 I312 | L296-G314 WeakPolarHBondContact CA-O 3.31Å; L296-G314 WeakPolarHBondContact CD2-O 3.14Å; C297-G314 PolarHBondContact N-O 2.94Å; C297-G314 WeakPolarHBondContact O-CA 3.24Å; I312-G314 PolarHBondContact O-N 3.34Å |
| 315 | G | 83 | Confident | 78.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S295 C297 I312 C317 | S295-G315 CarbonylContact O-C 3.58Å; S295-G315 WeakPolarHBondContact O-CA 3.49Å; C297-G315 PolarHBondContact SG-N 2.79Å; C297-G315 VanDerWaalsContact SG-N 3.41Å; C297-G315 PolarHBondContact SG-O 2.69Å; I312-G315 PolarHBondContact N-O 2.93Å; I312-G315 PolarHBondContact O-N 3.11Å; I312-G315 VanDerWaalsContact O-O 3.06Å; G315-C317 PolarHBondContact O-N 2.93Å |
| 316 | C | 85.7 | Confident | 78.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 110.2 | 168.2 | -65.5 | 0 | 0 | 0 | 0 | 109.4 | A293 V294 S295 C305 E310 | A293-C316 WeakPolarHBondContact CA-O 3.36Å; A293-C316 WeakPolarHBondContact CB-O 3.04Å; V294-C316 HydrophobicContact CG2-CB 3.98Å; V294-C316 PolarHBondContact N-O 3.05Å; V294-C316 VanDerWaalsContact N-O 3.08Å; S295-C316 PolarHBondContact O-N 3.05Å; S295-C316 WeakPolarHBondContact OG-CB 2.98Å; S295-C316 PolarHBondContact OG-SG 2.76Å; C305-C316 WeakPolarHBondContact CA-SG 2.98Å; C305-C316 HydrophobicContact CB-CB 3.71Å; C305-C316 WeakPolarHBondContact CB-SG 3.28Å; C305-C316 VanDerWaalsContact SG-CA 3.51Å; C305-C316 WeakPolarHBondContact SG-CB 3.33Å; C305-C316 CovalentContact SG-SG 2.04Å; C305-C316 PolarHBondContact SG-SG 2.56Å; E310-C316 WeakPolarHBondContact O-CA 3.04Å |
| 317 | C | 84.2 | Confident | 79 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134 | -173.1 | -73.6 | 0 | 0 | 0 | 0 | 110.5 | C287 Y309 E310 I312 G315 V319 | C287-C317 WeakPolarHBondContact CA-SG 3.46Å; C287-C317 HydrophobicContact CB-CB 3.67Å; C287-C317 WeakPolarHBondContact CB-SG 3.27Å; C287-C317 WeakPolarHBondContact SG-CA 3.37Å; C287-C317 WeakPolarHBondContact SG-CB 3.44Å; C287-C317 CovalentContact SG-SG 2.03Å; C287-C317 PolarHBondContact SG-SG 2.04Å; Y309-C317 CarbonylContact C-O 3.52Å; Y309-C317 VanDerWaalsContact CA-O 3.3Å; Y309-C317 WeakPolarHBondContact CA-O 3.18Å; E310-C317 PolarHBondContact N-O 3.07Å; E310-C317 PolarHBondContact O-N 2.79Å; I312-C317 HydrophobicContact CB-CB 4.08Å; I312-C317 HydrophobicContact CD1-CB 3.89Å; I312-C317 HydrophobicContact CG1-CB 4.07Å; G315-C317 PolarHBondContact O-N 2.93Å; C317-V319 PolarHBondContact O-N 2.04Å |
| 318 | P | 81.2 | Confident | 79.6 | Confident | 34 Ų | 34 | 53 Ų | 53 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 126.8 | -179 | 27.4 | -30.3 | 0 | 0 | 0 | 109 | Y309 | Y309-P318 HydrophobicContact CD1-CB 3.89Å; Y309-P318 HydrophobicContact CD1-CG 4.28Å; Y309-P318 VanDerWaalsContact CD1-N 3.29Å; Y309-P318 HydrophobicContact CE1-CB 3.65Å; Y309-P318 HydrophobicContact CE1-CG 3.9Å |
| 319 | V | 78.1 | Confident | 80 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -101 | 147.5 | 176.1 | -67.4 | 0 | 0 | 0 | 0 | 110.1 | N308 E310 I312 C317 L321 L333 | N308-V319 PolarHBondContact O-N 2.81Å; E310-V319 HydrophobicContact CB-CG1 3.85Å; E310-V319 HydrophobicContact CG-CG1 4.01Å; E310-V319 HydrophobicContact CG-CG2 3.98Å; I312-V319 HydrophobicContact CD1-CG1 4.19Å; C317-V319 PolarHBondContact O-N 2.04Å; V319-L321 PolarHBondContact O-N 3.1Å; V319-L333 HydrophobicContact CG2-CD1 3.64Å; V319-L333 HydrophobicContact CG2-CD2 4.22Å; V319-L333 HydrophobicContact CG2-CG 4.41Å |
| 320 | P | 77.6 | Confident | 80.3 | Confident | 123 Ų | 123 | 54.1 Ų | 54.1 | 80% | 0.799 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 128.9 | 171.5 | -22.4 | 33.8 | 0 | 0 | 0 | 110.5 | ||
| 321 | L | 80.4 | Confident | 80.6 | Confident | 39 Ų | 39 | 55 Ų | 55 | 20% | 0.204 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 134.5 | 174 | -76.3 | 158.3 | 0 | 0 | 0 | 109.6 | V319 A330 L333 | V319-L321 PolarHBondContact O-N 3.1Å; L321-A330 WeakPolarHBondContact CD1-O 3.5Å; L321-L333 HydrophobicContact CD2-CD2 4.36Å; L321-L333 HydrophobicContact CD2-CG 4.32Å |
| 322 | P | 81.6 | Confident | 80.9 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 21% | 0.214 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 153.5 | -179.8 | 28.8 | -35.8 | 0 | 0 | 0 | 110.7 | A330 N348 | P322-A330 HydrophobicContact CG-CB 4Å; P322-A330 WeakPolarHBondContact O-CB 3.34Å; P322-A330 PolarHBondContact O-N 3.46Å; P322-N348 WeakPolarHBondContact CG-O 3.36Å |
| 323 | V | 83.2 | Confident | 81.1 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 53% | 0.527 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 130.8 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 324 | C | 82.5 | Confident | 81.4 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 166 | 179.9 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | D326 G327 I328 A330 C352 | C324-D326 WeakPolarHBondContact CB-OD1 3.47Å; C324-D326 PolarHBondContact O-N 2.67Å; C324-D326 VanDerWaalsContact O-N 3.09Å; C324-G327 PolarHBondContact O-N 2.83Å; C324-I328 VanDerWaalsContact CB-O 3.29Å; C324-I328 WeakPolarHBondContact CB-O 3.26Å; C324-I328 PolarHBondContact N-O 2.88Å; C324-A330 VanDerWaalsContact SG-CA 3.56Å; C324-C352 WeakPolarHBondContact CA-SG 3.42Å; C324-C352 HydrophobicContact CB-CB 3.68Å; C324-C352 WeakPolarHBondContact CB-SG 3.39Å; C324-C352 WeakPolarHBondContact SG-CA 3.35Å; C324-C352 WeakPolarHBondContact SG-CB 3.48Å; C324-C352 CovalentContact SG-SG 2.03Å; C324-C352 PolarHBondContact SG-SG 2.83Å |
| 325 | P | 75.8 | Confident | 81.7 | Confident | 73 Ų | 73 | 53.4 Ų | 53.4 | 47% | 0.474 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -19 | -177.8 | -25.1 | 35.7 | 0 | 0 | 0 | 115.4 | F347 Y366 | P325-F347 HydrophobicContact CG-CD1 3.96Å; P325-F347 HydrophobicContact CG-CD2 4.41Å; P325-F347 HydrophobicContact CG-CE1 3.73Å; P325-F347 HydrophobicContact CG-CE2 4.22Å; P325-F347 HydrophobicContact CG-CG 4.29Å; P325-F347 HydrophobicContact CG-CZ 3.87Å; P325-Y366 HydrophobicContact CG-CE1 4.16Å |
| 326 | D | 76 | Confident | 81.5 | Confident | 89 Ų | 89 | 57 Ų | 57 | 48% | 0.476 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.6 | 175.6 | 60.1 | 0.5 | 0 | 0 | 0 | 113.7 | C324 I328 | C324-D326 WeakPolarHBondContact CB-OD1 3.47Å; C324-D326 PolarHBondContact O-N 2.67Å; C324-D326 VanDerWaalsContact O-N 3.09Å; D326-I328 WeakPolarHBondContact OD1-CB 3.17Å; D326-I328 PolarHBondContact OD1-N 3.01Å; D326-I328 WeakPolarHBondContact OD2-CD1 3.43Å |
| 327 | G | 79.8 | Confident | 81 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 58% | 0.577 | 36% | 0.356 | S | S | * | . | S | Bend | trans | 85.8 | 0 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | C324 | C324-G327 PolarHBondContact O-N 2.83Š|
| 328 | I | 81.9 | Confident | 80.8 | Confident | 109 Ų | 109 | 68 Ų | 68 | 56% | 0.559 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -84 | 149.2 | 177.5 | -54.3 | -177.4 | 0 | 0 | 0 | 109.3 | C324 D326 | C324-I328 VanDerWaalsContact CB-O 3.29Å; C324-I328 WeakPolarHBondContact CB-O 3.26Å; C324-I328 PolarHBondContact N-O 2.88Å; D326-I328 WeakPolarHBondContact OD1-CB 3.17Å; D326-I328 PolarHBondContact OD1-N 3.01Å; D326-I328 WeakPolarHBondContact OD2-CD1 3.43Å |
| 329 | Q | 81.4 | Confident | 80.8 | Confident | 137 Ų | 137 | 69.1 Ų | 69.1 | 64% | 0.64 | 40% | 0.403 | S | S | * | . | B | Isolated β-bridge | trans | -70.2 | 138.9 | 171.5 | -73 | -180 | -18.8 | 0 | 0 | 110.7 | ||
| 330 | A | 84.3 | Confident | 81 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 3% | 0.025 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 145 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L321 P322 C324 Q332 G350 C351 | L321-A330 WeakPolarHBondContact CD1-O 3.5Å; P322-A330 HydrophobicContact CG-CB 4Å; P322-A330 WeakPolarHBondContact O-CB 3.34Å; P322-A330 PolarHBondContact O-N 3.46Å; C324-A330 VanDerWaalsContact SG-CA 3.56Å; A330-Q332 PolarHBondContact O-N 2.83Å; A330-G350 VanDerWaalsContact CB-CA 3.4Å; A330-C351 WeakPolarHBondContact CA-O 3.38Å |
| 331 | L | 84 | Confident | 81.3 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 46% | 0.461 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -65.5 | -39.6 | -175 | 179.5 | 63 | 0 | 0 | 0 | 112.7 | P341 Y344 C351 | L331-P341 HydrophobicContact CD2-CG 3.87Å; L331-Y344 HydrophobicContact CB-CD1 4.31Å; L331-Y344 HydrophobicContact CB-CE1 4.1Å; L331-Y344 HydrophobicContact CD2-CD1 4.34Å; L331-Y344 HydrophobicContact CD2-CD2 4.45Å; L331-Y344 HydrophobicContact CD2-CE1 4.09Å; L331-Y344 HydrophobicContact CD2-CE2 4.21Å; L331-C351 HydrophobicContact CB-CB 4.33Å; L331-C351 PolarHBondContact N-O 3.24Å |
| 332 | Q | 84.9 | Confident | 81.3 | Confident | 48 Ų | 48 | 68.6 Ų | 68.6 | 22% | 0.224 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -157.6 | 169.1 | 175.7 | 64.1 | -179.7 | 11.4 | 0 | 0 | 110.4 | V307 N308 A330 T339 G350 C351 | V307-Q332 HydrophobicContact CG1-CB 3.76Å; N308-Q332 WeakPolarHBondContact OD1-CA 3.47Å; N308-Q332 WeakPolarHBondContact OD1-CB 3.4Å; A330-Q332 PolarHBondContact O-N 2.83Å; Q332-T339 PolarHBondContact NE2-O 2.81Å; Q332-G350 WeakPolarHBondContact O-CA 3.46Å; Q332-C351 HydrophobicContact CG-CB 4.06Å; Q332-C351 PolarHBondContact O-N 3.08Å |
| 333 | L | 83.9 | Confident | 81.2 | Confident | 38 Ų | 38 | 69 Ų | 69 | 20% | 0.199 | 42% | 0.422 | C | S | . | . | B | Isolated β-bridge | trans | -68.1 | 147.3 | 167 | -64 | 174.1 | 0 | 0 | 0 | 111.9 | N308 E310 V319 L321 R349 | N308-L333 PolarHBondContact OD1-N 3.24Å; E310-L333 HydrophobicContact CG-CD1 4.24Å; V319-L333 HydrophobicContact CG2-CD1 3.64Å; V319-L333 HydrophobicContact CG2-CD2 4.22Å; V319-L333 HydrophobicContact CG2-CG 4.41Å; L321-L333 HydrophobicContact CD2-CD2 4.36Å; L321-L333 HydrophobicContact CD2-CG 4.32Å; L333-R349 CarbonylContact C-O 3.58Å; L333-R349 VanDerWaalsContact CA-O 3.24Å; L333-R349 WeakPolarHBondContact CA-O 3.11Å |
| 334 | C | 82.3 | Confident | 81.3 | Confident | 10 Ų | 10 | 68.6 Ų | 68.6 | 7% | 0.068 | 41% | 0.412 | C | S | . | . | trans | -138.1 | 154.3 | 178 | 60.2 | 0 | 0 | 0 | 0 | 112.7 | T339 C346 R349 G350 | C334-T339 WeakPolarHBondContact CA-OG1 3.03Å; C334-T339 WeakPolarHBondContact CB-OG1 3.04Å; C334-C346 HydrophobicContact CB-CB 3.82Å; C334-C346 WeakPolarHBondContact CB-SG 2.97Å; C334-C346 WeakPolarHBondContact SG-CA 3.46Å; C334-C346 WeakPolarHBondContact SG-CB 3.43Å; C334-C346 CovalentContact SG-SG 2.03Å; C334-C346 PolarHBondContact SG-SG 3.01Å; C334-R349 PolarHBondContact N-O 3.26Å; C334-R349 PolarHBondContact SG-O 3.22Å; C334-G350 PolarHBondContact SG-N 3.26Å; C334-G350 VanDerWaalsContact SG-N 3.38Å; C334-G350 PolarHBondContact SG-O 2.98Å | ||
| 335 | S | 83.5 | Confident | 81.3 | Confident | 112 Ų | 112 | 68.2 Ų | 68.2 | 78% | 0.783 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -105.2 | -29.1 | 171.7 | -62.8 | 0 | 0 | 0 | 0 | 112.1 | T339 | S335-T339 PolarHBondContact N-OG1 3.02Å; S335-T339 VanDerWaalsContact N-OG1 3.15Å |
| 336 | D | 79.7 | Confident | 81.6 | Confident | 75 Ų | 75 | 66.1 Ų | 66.1 | 40% | 0.401 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -155.9 | 172.3 | -178.7 | 55 | 49 | 0 | 0 | 0 | 109.4 | L338 T339 C346 | D336-L338 PolarHBondContact O-N 2.88Å; D336-L338 WeakPolarHBondContact OD1-CA 3.43Å; D336-L338 WeakPolarHBondContact OD1-CB 3.06Å; D336-L338 PolarHBondContact OD1-N 3.24Å; D336-T339 PolarHBondContact N-OG1 3.13Å; D336-T339 PolarHBondContact O-N 3.04Å; D336-T339 PolarHBondContact O-OG1 3.38Å; D336-T339 WeakPolarHBondContact OD1-CG2 3.33Å; D336-T339 PolarHBondContact OD1-N 3.22Å; D336-T339 PolarHBondContact OD1-OG1 3.13Å; D336-C346 WeakPolarHBondContact O-CB 3.07Å |
| 337 | D | 74.4 | Confident | 82 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -64.3 | -26.7 | 177.6 | -65.6 | -61 | 0 | 0 | 0 | 113.4 | T339 C340 G345 C346 | D337-T339 VanDerWaalsContact C-N 3.28Å; D337-T339 PolarHBondContact O-N 3.33Å; D337-C340 WeakPolarHBondContact O-CB 3.49Å; D337-C340 PolarHBondContact O-N 3.45Å; D337-C340 VanDerWaalsContact O-N 3.08Å; D337-G345 VanDerWaalsContact OD1-CA 3.25Å; D337-G345 WeakPolarHBondContact OD1-CA 3.43Å; D337-C346 PolarHBondContact OD1-N 3.06Å |
| 338 | L | 79.7 | Confident | 82 | Confident | 165 Ų | 165 | 65.6 Ų | 65.6 | 86% | 0.864 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -70.8 | -24.7 | -179.9 | -70.3 | 148.8 | 0 | 0 | 0 | 112.2 | D336 C340 | D336-L338 PolarHBondContact O-N 2.88Å; D336-L338 WeakPolarHBondContact OD1-CA 3.43Å; D336-L338 WeakPolarHBondContact OD1-CB 3.06Å; D336-L338 PolarHBondContact OD1-N 3.24Å; L338-C340 PolarHBondContact O-N 2.79Å |
| 339 | T | 82.7 | Confident | 82 | Confident | 59 Ų | 59 | 68 Ų | 68 | 36% | 0.362 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -74.9 | -2.7 | 170.2 | 56 | 0 | 0 | 0 | 0 | 114.1 | Q332 C334 S335 D336 D337 | Q332-T339 PolarHBondContact NE2-O 2.81Å; C334-T339 WeakPolarHBondContact CA-OG1 3.03Å; C334-T339 WeakPolarHBondContact CB-OG1 3.04Å; S335-T339 PolarHBondContact N-OG1 3.02Å; S335-T339 VanDerWaalsContact N-OG1 3.15Å; D336-T339 PolarHBondContact N-OG1 3.13Å; D336-T339 PolarHBondContact O-N 3.04Å; D336-T339 PolarHBondContact O-OG1 3.38Å; D336-T339 WeakPolarHBondContact OD1-CG2 3.33Å; D336-T339 PolarHBondContact OD1-N 3.22Å; D336-T339 PolarHBondContact OD1-OG1 3.13Å; D337-T339 VanDerWaalsContact C-N 3.28Å; D337-T339 PolarHBondContact O-N 3.33Å |
| 340 | C | 82.3 | Confident | 82.1 | Confident | 18 Ų | 18 | 61.5 Ų | 61.5 | 12% | 0.122 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -101.2 | 148.1 | 179 | -66.8 | 0 | 0 | 0 | 0 | 113.9 | D337 L338 C351 | D337-C340 WeakPolarHBondContact O-CB 3.49Å; D337-C340 PolarHBondContact O-N 3.45Å; D337-C340 VanDerWaalsContact O-N 3.08Å; L338-C340 PolarHBondContact O-N 2.79Å; C340-C351 WeakPolarHBondContact CA-SG 3.04Å; C340-C351 HydrophobicContact CB-CB 3.88Å; C340-C351 WeakPolarHBondContact CB-SG 3.35Å; C340-C351 WeakPolarHBondContact SG-CA 3.04Å; C340-C351 WeakPolarHBondContact SG-CB 3.36Å; C340-C351 CovalentContact SG-SG 2.05Å; C340-C351 PolarHBondContact SG-SG 2.92Å |
| 341 | P | 83.8 | Confident | 82.3 | Confident | 56 Ų | 56 | 61.4 Ų | 61.4 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 155.1 | 173.1 | -22.9 | 35.9 | 0 | 0 | 0 | 112.5 | L331 G343 Y344 | L331-P341 HydrophobicContact CD2-CG 3.87Å; P341-G343 PolarHBondContact O-N 3.39Å; P341-Y344 HydrophobicContact CB-CD2 4.32Å; P341-Y344 WeakPolarHBondContact O-CB 3.37Å; P341-Y344 PolarHBondContact O-N 2.9Å |
| 342 | A | 80.2 | Confident | 82.4 | Confident | 107 Ų | 107 | 57.2 Ų | 57.2 | 88% | 0.884 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 128.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 343 | G | 79.1 | Confident | 82.4 | Confident | 42 Ų | 42 | 61 Ų | 61 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 0.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | P341 L354 | P341-G343 PolarHBondContact O-N 3.39Å; G343-L354 PolarHBondContact O-N 3.03Å |
| 344 | Y | 85.1 | Confident | 82.2 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 31% | 0.31 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149.5 | 173.3 | -65.2 | -105.5 | 0 | 0 | 0 | 110.8 | L331 P341 C352 K353 | L331-Y344 HydrophobicContact CB-CD1 4.31Å; L331-Y344 HydrophobicContact CB-CE1 4.1Å; L331-Y344 HydrophobicContact CD2-CD1 4.34Å; L331-Y344 HydrophobicContact CD2-CD2 4.45Å; L331-Y344 HydrophobicContact CD2-CE1 4.09Å; L331-Y344 HydrophobicContact CD2-CE2 4.21Å; P341-Y344 HydrophobicContact CB-CD2 4.32Å; P341-Y344 WeakPolarHBondContact O-CB 3.37Å; P341-Y344 PolarHBondContact O-N 2.9Å; Y344-C352 CarbonylContact C-O 3.58Å; Y344-C352 WeakPolarHBondContact CA-O 3.42Å; Y344-C352 WeakPolarHBondContact CB-O 3.28Å; Y344-K353 HydrophobicContact CD1-CB 4.18Å; Y344-K353 HydrophobicContact CE1-CB 3.92Å |
| 345 | G | 82.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 163.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D337 F347 C351 C352 | D337-G345 VanDerWaalsContact OD1-CA 3.25Å; D337-G345 WeakPolarHBondContact OD1-CA 3.43Å; G345-F347 PolarHBondContact O-N 3.27Å; G345-C351 WeakPolarHBondContact O-CA 3.35Å; G345-C352 PolarHBondContact N-O 3.42Å; G345-C352 PolarHBondContact O-N 3.01Å |
| 346 | C | 83.2 | Confident | 81.7 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.8 | -173 | -169.1 | 0 | 0 | 0 | 0 | 111.4 | C334 D336 D337 | C334-C346 HydrophobicContact CB-CB 3.82Å; C334-C346 WeakPolarHBondContact CB-SG 2.97Å; C334-C346 WeakPolarHBondContact SG-CA 3.46Å; C334-C346 WeakPolarHBondContact SG-CB 3.43Å; C334-C346 CovalentContact SG-SG 2.03Å; C334-C346 PolarHBondContact SG-SG 3.01Å; D336-C346 WeakPolarHBondContact O-CB 3.07Å; D337-C346 PolarHBondContact OD1-N 3.06Å |
| 347 | F | 83.1 | Confident | 81.4 | Confident | 37 Ų | 37 | 59 Ų | 59 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 120.9 | 178.1 | -177.1 | -95.9 | 0 | 0 | 0 | 110.3 | P325 G345 R349 G350 C352 Y366 Q368 | P325-F347 HydrophobicContact CG-CD1 3.96Å; P325-F347 HydrophobicContact CG-CD2 4.41Å; P325-F347 HydrophobicContact CG-CE1 3.73Å; P325-F347 HydrophobicContact CG-CE2 4.22Å; P325-F347 HydrophobicContact CG-CG 4.29Å; P325-F347 HydrophobicContact CG-CZ 3.87Å; G345-F347 PolarHBondContact O-N 3.27Å; F347-R349 VanDerWaalsContact C-N 3.29Å; F347-R349 PolarHBondContact O-N 3.02Å; F347-G350 PolarHBondContact N-O 3.37Å; F347-G350 PolarHBondContact O-N 3.12Å; F347-C352 HydrophobicContact CB-CB 4.14Å; F347-Y366 HydrophobicContact CB-CD2 3.75Å; F347-Y366 HydrophobicContact CB-CE2 3.93Å; F347-Y366 HydrophobicContact CB-CG 4.08Å; F347-Y366 HydrophobicContact CD2-CD1 4.11Å; F347-Y366 HydrophobicContact CD2-CD2 4.49Å; F347-Y366 AromaticContact CD2-CG 3.96Å; F347-Y366 HydrophobicContact CD2-CG 3.96Å; F347-Y366 HydrophobicContact CG-CG 4.4Å; F347-Q368 HydrophobicContact CD2-CG 4.49Å; F347-Q368 HydrophobicContact CE2-CG 4.39Å |
| 348 | N | 80.9 | Confident | 81.2 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 45.2 | -178.8 | -68.3 | -13.9 | 0 | 0 | 0 | 113.7 | P322 G350 Q368 | P322-N348 WeakPolarHBondContact CG-O 3.36Å; N348-G350 PolarHBondContact O-N 3.2Å; N348-Q368 PolarHBondContact OD1-NE2 3.26Å |
| 349 | R | 82.3 | Confident | 80.6 | Confident | 160 Ų | 160 | 52.6 Ų | 52.6 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 11.3 | -172.8 | -62.3 | -176 | 163.4 | -153.3 | -6.5 | 116.1 | E310 L333 C334 F347 | E310-R349 IonicContact OE1-CZ 3.96Å; E310-R349 IonicContact OE1-NH1 2.7Å; E310-R349 PolarHBondContact OE1-NH1 2.75Å; L333-R349 CarbonylContact C-O 3.58Å; L333-R349 VanDerWaalsContact CA-O 3.24Å; L333-R349 WeakPolarHBondContact CA-O 3.11Å; C334-R349 PolarHBondContact N-O 3.26Å; C334-R349 PolarHBondContact SG-O 3.22Å; F347-R349 VanDerWaalsContact C-N 3.29Å; F347-R349 PolarHBondContact O-N 3.02Å |
| 350 | G | 83.4 | Confident | 80 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A330 Q332 C334 F347 N348 C352 | A330-G350 VanDerWaalsContact CB-CA 3.4Å; Q332-G350 WeakPolarHBondContact O-CA 3.46Å; C334-G350 PolarHBondContact SG-N 3.26Å; C334-G350 VanDerWaalsContact SG-N 3.38Å; C334-G350 PolarHBondContact SG-O 2.98Å; F347-G350 PolarHBondContact N-O 3.37Å; F347-G350 PolarHBondContact O-N 3.12Å; N348-G350 PolarHBondContact O-N 3.2Å; G350-C352 PolarHBondContact O-N 3.41Å; G350-C352 VanDerWaalsContact O-N 3.1Å |
| 351 | C | 87.5 | Confident | 79.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 103.1 | 165.2 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | A330 L331 Q332 C340 G345 | A330-C351 WeakPolarHBondContact CA-O 3.38Å; L331-C351 HydrophobicContact CB-CB 4.33Å; L331-C351 PolarHBondContact N-O 3.24Å; Q332-C351 HydrophobicContact CG-CB 4.06Å; Q332-C351 PolarHBondContact O-N 3.08Å; C340-C351 WeakPolarHBondContact CA-SG 3.04Å; C340-C351 HydrophobicContact CB-CB 3.88Å; C340-C351 WeakPolarHBondContact CB-SG 3.35Å; C340-C351 WeakPolarHBondContact SG-CA 3.04Å; C340-C351 WeakPolarHBondContact SG-CB 3.36Å; C340-C351 CovalentContact SG-SG 2.05Å; C340-C351 PolarHBondContact SG-SG 2.92Å; G345-C351 WeakPolarHBondContact O-CA 3.35Å |
| 352 | C | 86.1 | Confident | 79 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 147.7 | -179.7 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | C324 Y344 G345 F347 G350 L354 Y366 | C324-C352 WeakPolarHBondContact CA-SG 3.42Å; C324-C352 HydrophobicContact CB-CB 3.68Å; C324-C352 WeakPolarHBondContact CB-SG 3.39Å; C324-C352 WeakPolarHBondContact SG-CA 3.35Å; C324-C352 WeakPolarHBondContact SG-CB 3.48Å; C324-C352 CovalentContact SG-SG 2.03Å; C324-C352 PolarHBondContact SG-SG 2.83Å; Y344-C352 CarbonylContact C-O 3.58Å; Y344-C352 WeakPolarHBondContact CA-O 3.42Å; Y344-C352 WeakPolarHBondContact CB-O 3.28Å; G345-C352 PolarHBondContact N-O 3.42Å; G345-C352 PolarHBondContact O-N 3.01Å; F347-C352 HydrophobicContact CB-CB 4.14Å; G350-C352 PolarHBondContact O-N 3.41Å; G350-C352 VanDerWaalsContact O-N 3.1Å; C352-L354 PolarHBondContact O-N 2.93Å; C352-Y366 HydrophobicContact CB-CE2 3.79Å; C352-Y366 WeakPolarHBondContact CB-OH 3.49Å; C352-Y366 PolarHBondContact O-OH 2.95Å |
| 353 | K | 85.3 | Confident | 78.7 | Confident | 128 Ų | 128 | 51.5 Ų | 51.5 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.5 | -173.8 | -177.7 | 178.8 | 175.2 | -177.3 | 0 | 111 | Y344 Y366 | Y344-K353 HydrophobicContact CD1-CB 4.18Å; Y344-K353 HydrophobicContact CE1-CB 3.92Å; K353-Y366 PolarHBondContact N-OH 2.03Å; K353-Y366 PolarHBondContact O-OH 2.03Å |
| 354 | L | 80.3 | Confident | 78.5 | Confident | 25 Ų | 25 | 54.4 Ų | 54.4 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 137.8 | -176.6 | -70.5 | 163.9 | 0 | 0 | 0 | 111.3 | G343 C352 Y366 | G343-L354 PolarHBondContact O-N 3.03Å; C352-L354 PolarHBondContact O-N 2.93Å; L354-Y366 HydrophobicContact CD2-CD2 4.4Å; L354-Y366 HydrophobicContact CD2-CE2 4.24Å |
| 355 | I | 76.1 | Confident | 78.1 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 24% | 0.236 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 135.4 | -174.2 | -59.7 | 178.9 | 0 | 0 | 0 | 108.6 | C357 S363 Y366 N383 A385 | I355-C357 PolarHBondContact O-N 3.41Å; I355-S363 PolarHBondContact N-OG 2.97Å; I355-S363 VanDerWaalsContact O-CB 3.27Å; I355-S363 WeakPolarHBondContact O-CB 3.04Å; I355-S363 PolarHBondContact O-N 2.79Å; I355-S363 PolarHBondContact O-OG 2.9Å; I355-Y366 HydrophobicContact CD1-CE1 4.16Å; I355-Y366 HydrophobicContact CG1-CE1 4.14Å; I355-N383 WeakPolarHBondContact CD1-O 3.05Å; I355-A385 HydrophobicContact CB-CB 3.74Å; I355-A385 HydrophobicContact CD1-CB 3.96Å; I355-A385 HydrophobicContact CG1-CB 4.15Å; I355-A385 HydrophobicContact CG2-CB 4.44Å |
| 356 | I | 78.1 | Confident | 77.9 | Confident | 116 Ų | 116 | 53.5 Ų | 53.5 | 60% | 0.595 | 29% | 0.29 | S | S | * | . | B | Isolated β-bridge | trans | -76.6 | 120.9 | 172.4 | -56.5 | 177.8 | 0 | 0 | 0 | 107.9 | ||
| 357 | C | 74.5 | Confident | 77.5 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -68 | 161.2 | 179.2 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | I355 T359 G360 I361 C387 | I355-C357 PolarHBondContact O-N 3.41Å; C357-T359 PolarHBondContact O-N 2.02Å; C357-G360 PolarHBondContact O-N 2.84Å; C357-I361 WeakPolarHBondContact CB-O 3.15Å; C357-I361 PolarHBondContact N-O 2.99Å; C357-I361 PolarHBondContact SG-O 3.42Å; C357-I361 VanDerWaalsContact SG-O 3.35Å; C357-C387 HydrophobicContact CB-CB 3.68Å; C357-C387 WeakPolarHBondContact CB-SG 3.02Å; C357-C387 WeakPolarHBondContact SG-CA 3.45Å; C357-C387 WeakPolarHBondContact SG-CB 3.22Å; C357-C387 CovalentContact SG-SG 2.03Å; C357-C387 PolarHBondContact SG-SG 3.36Å |
| 358 | P | 69 | Low | 76.6 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -20.6 | 177.1 | -27.1 | 36.1 | 0 | 0 | 0 | 114.8 | G360 F382 F401 | P358-G360 VanDerWaalsContact C-N 3.31Å; P358-F382 HydrophobicContact CG-CD1 3.93Å; P358-F382 HydrophobicContact CG-CE1 3.5Å; P358-F382 HydrophobicContact CG-CE2 4.19Å; P358-F382 HydrophobicContact CG-CG 4.44Å; P358-F382 HydrophobicContact CG-CZ 3.66Å; P358-F401 HydrophobicContact CG-CD1 4.27Å |
| 359 | T | 67.6 | Low | 75.4 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 28% | 0.276 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -0.7 | 175.7 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | C357 I361 P390 F401 | C357-T359 PolarHBondContact O-N 2.02Å; T359-I361 PolarHBondContact O-N 3.44Å; T359-P390 HydrophobicContact CG2-CB 4Å; T359-P390 HydrophobicContact CG2-CG 4.39Å; T359-F401 HydrophobicContact CG2-CE1 4.36Å |
| 360 | G | 69.5 | Low | 73.3 | Confident | 58 Ų | 58 | 55 Ų | 55 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 79 | -6.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C357 P358 | C357-G360 PolarHBondContact O-N 2.84Å; P358-G360 VanDerWaalsContact C-N 3.31Å |
| 361 | I | 74.2 | Confident | 71.3 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 141.3 | 177.4 | -54.8 | 172.7 | 0 | 0 | 0 | 109.1 | C357 T359 P388 | C357-I361 WeakPolarHBondContact CB-O 3.15Å; C357-I361 PolarHBondContact N-O 2.99Å; C357-I361 PolarHBondContact SG-O 3.42Å; C357-I361 VanDerWaalsContact SG-O 3.35Å; T359-I361 PolarHBondContact O-N 3.44Å; I361-P388 HydrophobicContact CB-CG 4.5Å; I361-P388 HydrophobicContact CD1-CG 4.07Å; I361-P388 HydrophobicContact CG2-CG 4.39Å |
| 362 | A | 70.2 | Confident | 69.1 | Low | 59 Ų | 59 | 66.7 Ų | 66.7 | 49% | 0.488 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 139 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 363 | S | 75.7 | Confident | 67.4 | Low | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.014 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 143.1 | 174.3 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | I355 A385 C386 | I355-S363 PolarHBondContact N-OG 2.97Å; I355-S363 VanDerWaalsContact O-CB 3.27Å; I355-S363 WeakPolarHBondContact O-CB 3.04Å; I355-S363 PolarHBondContact O-N 2.79Å; I355-S363 PolarHBondContact O-OG 2.9Å; S363-A385 VanDerWaalsContact CB-CB 3.45Å; S363-C386 WeakPolarHBondContact CA-O 3.32Å |
| 364 | N | 74 | Confident | 66.4 | Low | 103 Ų | 103 | 70.7 Ų | 70.7 | 55% | 0.551 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -70.4 | -38.1 | -177.4 | -167.2 | 49.8 | 0 | 0 | 0 | 113 | L379 C386 | N364-L379 HydrophobicContact CB-CD1 3.75Å; N364-C386 PolarHBondContact N-O 3.31Å |
| 365 | Q | 76.4 | Confident | 65.9 | Low | 46 Ų | 46 | 70.8 Ų | 70.8 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -160.8 | 167.2 | -176.3 | 61.1 | -175.4 | 80.9 | 0 | 0 | 109.1 | C386 | Q365-C386 HydrophobicContact CG-CB 3.8Å; Q365-C386 PolarHBondContact O-N 3.04Å |
| 366 | Y | 77.7 | Confident | 65.7 | Low | 15 Ų | 15 | 71.3 Ų | 71.3 | 6% | 0.059 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -76.3 | 149 | 168.1 | -67.4 | -82.8 | 0 | 0 | 0 | 111.6 | P325 F347 C352 K353 L354 I355 G384 | P325-Y366 HydrophobicContact CG-CE1 4.16Å; F347-Y366 HydrophobicContact CB-CD2 3.75Å; F347-Y366 HydrophobicContact CB-CE2 3.93Å; F347-Y366 HydrophobicContact CB-CG 4.08Å; F347-Y366 HydrophobicContact CD2-CD1 4.11Å; F347-Y366 HydrophobicContact CD2-CD2 4.49Å; F347-Y366 AromaticContact CD2-CG 3.96Å; F347-Y366 HydrophobicContact CD2-CG 3.96Å; F347-Y366 HydrophobicContact CG-CG 4.4Å; C352-Y366 HydrophobicContact CB-CE2 3.79Å; C352-Y366 WeakPolarHBondContact CB-OH 3.49Å; C352-Y366 PolarHBondContact O-OH 2.95Å; K353-Y366 PolarHBondContact N-OH 2.03Å; K353-Y366 PolarHBondContact O-OH 2.03Å; L354-Y366 HydrophobicContact CD2-CD2 4.4Å; L354-Y366 HydrophobicContact CD2-CE2 4.24Å; I355-Y366 HydrophobicContact CD1-CE1 4.16Å; I355-Y366 HydrophobicContact CG1-CE1 4.14Å; Y366-G384 CarbonylContact C-O 3.43Å; Y366-G384 WeakPolarHBondContact CA-O 3.5Å; Y366-G384 WeakPolarHBondContact CD1-O 3.44Å |
| 367 | C | 75.9 | Confident | 65.2 | Low | 20 Ų | 20 | 71.2 Ų | 71.2 | 14% | 0.135 | 47% | 0.47 | C | S | . | . | trans | -106.1 | 125.7 | 166.1 | 42.7 | 0 | 0 | 0 | 0 | 109.8 | C381 G384 A385 | C367-C381 HydrophobicContact CB-CB 3.8Å; C367-C381 WeakPolarHBondContact CB-SG 3.37Å; C367-C381 VanDerWaalsContact SG-CA 3.5Å; C367-C381 WeakPolarHBondContact SG-CB 3.49Å; C367-C381 CovalentContact SG-SG 2.03Å; C367-C381 PolarHBondContact SG-SG 3.46Å; C367-G384 PolarHBondContact N-O 3.36Å; C367-A385 VanDerWaalsContact SG-C 3.54Å; C367-A385 PolarHBondContact SG-N 2.78Å | ||
| 368 | Q | 64.7 | Low | 65 | Low | 104 Ų | 104 | 74 Ų | 74 | 49% | 0.486 | 50% | 0.499 | S | S | . | . | trans | -105.1 | 143.1 | 177.4 | -62.1 | -158.9 | -36.7 | 0 | 0 | 111.1 | F347 N348 | F347-Q368 HydrophobicContact CD2-CG 4.49Å; F347-Q368 HydrophobicContact CE2-CG 4.39Å; N348-Q368 PolarHBondContact OD1-NE2 3.26Å | ||
| 369 | G | 54.1 | Low | 65.3 | Low | 68 Ų | 68 | 73.3 Ų | 73.3 | 70% | 0.701 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 97.7 | 144.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G371 | G369-G371 PolarHBondContact O-N 3.02Š|
| 370 | V | 39.8 | Very low | 65.7 | Low | 163 Ų | 163 | 73.7 Ų | 73.7 | 99% | 0.988 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -85.9 | 95.2 | 175.6 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | ||
| 371 | G | 40.3 | Very low | 66 | Low | 77 Ų | 77 | 74.3 Ų | 74.3 | 79% | 0.794 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 101.4 | 1.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | G369 | G369-G371 PolarHBondContact O-N 3.02Š|
| 372 | Q | 41.5 | Very low | 66 | Low | 168 Ų | 168 | 71.6 Ų | 71.6 | 79% | 0.785 | 47% | 0.473 | S | S | * | . | trans | -141.2 | 113 | 176.6 | -75.8 | -174.3 | -29.8 | 0 | 0 | 113.5 | ||||
| 373 | S | 51.2 | Low | 66.1 | Low | 101 Ų | 101 | 74.8 Ų | 74.8 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | trans | 57.4 | 141.6 | 154.9 | 50.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 374 | T | 63.6 | Low | 65.9 | Low | 112 Ų | 112 | 76 Ų | 76 | 69% | 0.687 | 50% | 0.495 | S | S | * | . | cis | -149.3 | 113.5 | -13.9 | 23.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 375 | C | 69.2 | Low | 65.9 | Low | 28 Ų | 28 | 71.1 Ų | 71.1 | 19% | 0.189 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 140.9 | 153.5 | -65.8 | 0 | 0 | 0 | 0 | 108.2 | L379 C386 | C375-L379 HydrophobicContact CB-CB 3.88Å; C375-L379 WeakPolarHBondContact CB-O 3.23Å; C375-C386 WeakPolarHBondContact CA-SG 3.28Å; C375-C386 HydrophobicContact CB-CB 3.79Å; C375-C386 WeakPolarHBondContact CB-SG 2.99Å; C375-C386 WeakPolarHBondContact SG-CA 3.36Å; C375-C386 WeakPolarHBondContact SG-CB 3.42Å; C375-C386 CovalentContact SG-SG 2.05Å; C375-C386 PolarHBondContact SG-SG 3.4Å |
| 376 | P | 72.6 | Confident | 66.2 | Low | 57 Ų | 57 | 69 Ų | 69 | 37% | 0.37 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -53 | 154.1 | 173.6 | -28.2 | 33.3 | 0 | 0 | 0 | 113 | G378 L379 | P376-G378 PolarHBondContact O-N 2.87Å; P376-L379 HydrophobicContact CB-CD1 4.15Å; P376-L379 HydrophobicContact CG-CD1 4.1Å; P376-L379 WeakPolarHBondContact O-CB 3.36Å; P376-L379 PolarHBondContact O-N 3.11Å |
| 377 | A | 67.7 | Low | 66.3 | Low | 114 Ų | 114 | 68.2 Ų | 68.2 | 94% | 0.942 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 125.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 378 | G | 69.3 | Low | 66.6 | Low | 62 Ų | 62 | 69 Ų | 69 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -11.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | P376 | P376-G378 PolarHBondContact O-N 2.87Š|
| 379 | L | 76.9 | Confident | 67.2 | Low | 41 Ų | 41 | 66 Ų | 66 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 146 | 174.8 | -59.1 | 175.8 | 0 | 0 | 0 | 110.7 | N364 C375 P376 C386 C387 P388 | N364-L379 HydrophobicContact CB-CD1 3.75Å; C375-L379 HydrophobicContact CB-CB 3.88Å; C375-L379 WeakPolarHBondContact CB-O 3.23Å; P376-L379 HydrophobicContact CB-CD1 4.15Å; P376-L379 HydrophobicContact CG-CD1 4.1Å; P376-L379 WeakPolarHBondContact O-CB 3.36Å; P376-L379 PolarHBondContact O-N 3.11Å; L379-C386 HydrophobicContact CB-CB 4.31Å; L379-C386 HydrophobicContact CD1-CB 4.36Å; L379-C387 WeakPolarHBondContact CA-O 3.46Å; L379-P388 HydrophobicContact CD2-CB 3.85Å; L379-P388 HydrophobicContact CD2-CG 4.43Å |
| 380 | T | 75.9 | Confident | 68.4 | Low | 52 Ų | 52 | 63.4 Ų | 63.4 | 32% | 0.319 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 156 | 174.2 | -164 | 0 | 0 | 0 | 0 | 111.8 | C387 L389 F401 | T380-C387 PolarHBondContact N-O 3.08Å; T380-C387 PolarHBondContact O-N 2.7Å; T380-L389 HydrophobicContact CG2-CD1 4.15Å; T380-L389 HydrophobicContact CG2-CD2 3.83Å; T380-L389 HydrophobicContact CG2-CG 3.74Å; T380-F401 HydrophobicContact CG2-CD2 3.79Å; T380-F401 HydrophobicContact CG2-CE2 3.33Å; T380-F401 HydrophobicContact CG2-CZ 4.21Å |
| 381 | C | 75 | Confident | 70.3 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 48% | 0.48 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 118.1 | -175.8 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | C367 A385 | C367-C381 HydrophobicContact CB-CB 3.8Å; C367-C381 WeakPolarHBondContact CB-SG 3.37Å; C367-C381 VanDerWaalsContact SG-CA 3.5Å; C367-C381 WeakPolarHBondContact SG-CB 3.49Å; C367-C381 CovalentContact SG-SG 2.03Å; C367-C381 PolarHBondContact SG-SG 3.46Å; C381-A385 WeakPolarHBondContact CA-O 3.41Å |
| 382 | F | 75.1 | Confident | 72.2 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 123.5 | 177.6 | -177.3 | -93.1 | 0 | 0 | 0 | 109.6 | P358 G384 A385 C387 F401 L403 | P358-F382 HydrophobicContact CG-CD1 3.93Å; P358-F382 HydrophobicContact CG-CE1 3.5Å; P358-F382 HydrophobicContact CG-CE2 4.19Å; P358-F382 HydrophobicContact CG-CG 4.44Å; P358-F382 HydrophobicContact CG-CZ 3.66Å; F382-G384 PolarHBondContact O-N 2.92Å; F382-G384 VanDerWaalsContact O-N 3.09Å; F382-A385 PolarHBondContact N-O 3.12Å; F382-A385 PolarHBondContact O-N 3.44Å; F382-C387 HydrophobicContact CB-CB 4.5Å; F382-F401 HydrophobicContact CB-CD2 3.86Å; F382-F401 HydrophobicContact CB-CE2 3.81Å; F382-F401 HydrophobicContact CD2-CB 4.14Å; F382-F401 AromaticContact CD2-CD2 3.71Å; F382-F401 HydrophobicContact CD2-CD2 3.71Å; F382-F401 HydrophobicContact CD2-CE2 4.46Å; F382-F401 HydrophobicContact CD2-CG 4.15Å; F382-F401 HydrophobicContact CE2-CB 4.27Å; F382-F401 AromaticContact CG-CD2 3.98Å; F382-F401 HydrophobicContact CG-CD2 3.98Å; F382-F401 HydrophobicContact CG-CE2 4.29Å; F382-L403 HydrophobicContact CZ-CD1 4.43Å; F382-L403 HydrophobicContact CZ-CD2 4.37Å |
| 383 | N | 71.7 | Confident | 73.8 | Confident | 127 Ų | 127 | 52.2 Ų | 52.2 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 35.2 | -177.1 | -68 | -6.3 | 0 | 0 | 0 | 115.1 | I355 | I355-N383 WeakPolarHBondContact CD1-O 3.05Š|
| 384 | G | 70.5 | Confident | 74.8 | Confident | 28 Ų | 28 | 50.8 Ų | 50.8 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 7.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y366 C367 F382 | Y366-G384 CarbonylContact C-O 3.43Å; Y366-G384 WeakPolarHBondContact CA-O 3.5Å; Y366-G384 WeakPolarHBondContact CD1-O 3.44Å; C367-G384 PolarHBondContact N-O 3.36Å; F382-G384 PolarHBondContact O-N 2.92Å; F382-G384 VanDerWaalsContact O-N 3.09Å |
| 385 | A | 75.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 143.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I355 S363 C367 C381 F382 C387 | I355-A385 HydrophobicContact CB-CB 3.74Å; I355-A385 HydrophobicContact CD1-CB 3.96Å; I355-A385 HydrophobicContact CG1-CB 4.15Å; I355-A385 HydrophobicContact CG2-CB 4.44Å; S363-A385 VanDerWaalsContact CB-CB 3.45Å; C367-A385 VanDerWaalsContact SG-C 3.54Å; C367-A385 PolarHBondContact SG-N 2.78Å; C381-A385 WeakPolarHBondContact CA-O 3.41Å; F382-A385 PolarHBondContact N-O 3.12Å; F382-A385 PolarHBondContact O-N 3.44Å; A385-C387 PolarHBondContact O-N 2.85Å |
| 386 | C | 81.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 108.2 | 174.9 | -69.8 | 0 | 0 | 0 | 0 | 111 | S363 N364 Q365 C375 L379 | S363-C386 WeakPolarHBondContact CA-O 3.32Å; N364-C386 PolarHBondContact N-O 3.31Å; Q365-C386 HydrophobicContact CG-CB 3.8Å; Q365-C386 PolarHBondContact O-N 3.04Å; C375-C386 WeakPolarHBondContact CA-SG 3.28Å; C375-C386 HydrophobicContact CB-CB 3.79Å; C375-C386 WeakPolarHBondContact CB-SG 2.99Å; C375-C386 WeakPolarHBondContact SG-CA 3.36Å; C375-C386 WeakPolarHBondContact SG-CB 3.42Å; C375-C386 CovalentContact SG-SG 2.05Å; C375-C386 PolarHBondContact SG-SG 3.4Å; L379-C386 HydrophobicContact CB-CB 4.31Å; L379-C386 HydrophobicContact CD1-CB 4.36Å |
| 387 | C | 81.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.4 | -173.6 | -74.4 | 0 | 0 | 0 | 0 | 112 | C357 L379 T380 F382 A385 F401 | C357-C387 HydrophobicContact CB-CB 3.68Å; C357-C387 WeakPolarHBondContact CB-SG 3.02Å; C357-C387 WeakPolarHBondContact SG-CA 3.45Å; C357-C387 WeakPolarHBondContact SG-CB 3.22Å; C357-C387 CovalentContact SG-SG 2.03Å; C357-C387 PolarHBondContact SG-SG 3.36Å; L379-C387 WeakPolarHBondContact CA-O 3.46Å; T380-C387 PolarHBondContact N-O 3.08Å; T380-C387 PolarHBondContact O-N 2.7Å; F382-C387 HydrophobicContact CB-CB 4.5Å; A385-C387 PolarHBondContact O-N 2.85Å; C387-F401 HydrophobicContact CB-CE2 3.76Å; C387-F401 HydrophobicContact CB-CZ 3.56Å |
| 388 | P | 81.7 | Confident | 76.7 | Confident | 36 Ų | 36 | 49 Ų | 49 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 131.6 | 173.6 | 29 | -33.3 | 0 | 0 | 0 | 110.6 | I361 L379 F401 | I361-P388 HydrophobicContact CB-CG 4.5Å; I361-P388 HydrophobicContact CD1-CG 4.07Å; I361-P388 HydrophobicContact CG2-CG 4.39Å; L379-P388 HydrophobicContact CD2-CB 3.85Å; L379-P388 HydrophobicContact CD2-CG 4.43Å; P388-F401 WeakPolarHBondContact O-CE1 3.42Å; P388-F401 VanDerWaalsContact O-CZ 3.27Å; P388-F401 WeakPolarHBondContact O-CZ 3.37Å |
| 389 | L | 78.1 | Confident | 77.2 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 135.4 | 168.4 | -76.4 | 158.3 | 0 | 0 | 0 | 108.9 | T380 A398 F401 | T380-L389 HydrophobicContact CG2-CD1 4.15Å; T380-L389 HydrophobicContact CG2-CD2 3.83Å; T380-L389 HydrophobicContact CG2-CG 3.74Å; L389-A398 WeakPolarHBondContact CD1-O 3.46Å; L389-F401 HydrophobicContact CD2-CD2 4.48Å; L389-F401 HydrophobicContact CD2-CE2 4.49Å |
| 390 | P | 77.5 | Confident | 77.4 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 147.5 | 179.6 | 28.5 | -34.6 | 0 | 0 | 0 | 110.8 | T359 A398 | T359-P390 HydrophobicContact CG2-CB 4Å; T359-P390 HydrophobicContact CG2-CG 4.39Å; P390-A398 HydrophobicContact CG-CB 3.97Å; P390-A398 VanDerWaalsContact O-CB 3.29Å; P390-A398 WeakPolarHBondContact O-CB 3.29Å; P390-A398 PolarHBondContact O-N 2.91Å |
| 391 | T | 80.8 | Confident | 77.5 | Confident | 95 Ų | 95 | 51.3 Ų | 51.3 | 58% | 0.583 | 31% | 0.314 | S | S | * | . | B | Isolated β-bridge | trans | -76.6 | 129.4 | 174.4 | -42.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 392 | C | 79.2 | Confident | 77.7 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.054 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 161.7 | 173.8 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | S394 G395 Q396 A398 C422 | C392-S394 PolarHBondContact O-N 3.34Å; C392-G395 PolarHBondContact O-N 3.34Å; C392-Q396 VanDerWaalsContact CB-O 3.31Å; C392-Q396 WeakPolarHBondContact CB-O 3.48Å; C392-Q396 PolarHBondContact N-O 3.04Å; C392-A398 VanDerWaalsContact SG-CA 3.56Å; C392-C422 WeakPolarHBondContact CA-SG 3.47Å; C392-C422 HydrophobicContact CB-CB 3.69Å; C392-C422 WeakPolarHBondContact CB-SG 3.26Å; C392-C422 WeakPolarHBondContact SG-CA 3.45Å; C392-C422 WeakPolarHBondContact SG-CB 3.45Å; C392-C422 CovalentContact SG-SG 2.03Å; C392-C422 PolarHBondContact SG-SG 2.66Å |
| 393 | P | 75.4 | Confident | 77.4 | Confident | 70 Ų | 70 | 53 Ų | 53 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -22.1 | 175.5 | -26.8 | 36.7 | 0 | 0 | 0 | 114.4 | G395 Y417 F436 | P393-G395 PolarHBondContact O-N 2.03Å; P393-Y417 HydrophobicContact CG-CD1 3.94Å; P393-Y417 HydrophobicContact CG-CD2 4.48Å; P393-Y417 HydrophobicContact CG-CE1 3.58Å; P393-Y417 HydrophobicContact CG-CE2 4.16Å; P393-Y417 HydrophobicContact CG-CG 4.38Å; P393-F436 HydrophobicContact CB-CD1 4.26Å; P393-F436 HydrophobicContact CB-CE1 4.46Å; P393-F436 HydrophobicContact CG-CD1 3.95Å; P393-F436 HydrophobicContact CG-CD2 4.29Å; P393-F436 HydrophobicContact CG-CE1 4.19Å; P393-F436 HydrophobicContact CG-CG 4.01Å; P393-F436 HydrophobicContact CG-CZ 4.48Å |
| 394 | S | 72.6 | Confident | 76.8 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1 | 173.8 | 57.1 | 0 | 0 | 0 | 0 | 114.9 | C392 Q396 | C392-S394 PolarHBondContact O-N 3.34Å; S394-Q396 PolarHBondContact O-N 2.94Å |
| 395 | G | 75.4 | Confident | 75.9 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 76.3 | -2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C392 P393 | C392-G395 PolarHBondContact O-N 3.34Å; P393-G395 PolarHBondContact O-N 2.03Å |
| 396 | Q | 80.6 | Confident | 74.9 | Confident | 118 Ų | 118 | 58.8 Ų | 58.8 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -86.2 | 153.3 | 175.6 | -65.6 | -177.1 | -21.4 | 0 | 0 | 111.6 | C392 S394 | C392-Q396 VanDerWaalsContact CB-O 3.31Å; C392-Q396 WeakPolarHBondContact CB-O 3.48Å; C392-Q396 PolarHBondContact N-O 3.04Å; S394-Q396 PolarHBondContact O-N 2.94Å |
| 397 | S | 77.5 | Confident | 73.6 | Confident | 93 Ų | 93 | 63.1 Ų | 63.1 | 65% | 0.65 | 38% | 0.384 | S | S | * | . | B | Isolated β-bridge | trans | -64.7 | 140 | 170.2 | -43.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 398 | A | 79.5 | Confident | 72.4 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.033 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 148.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L389 P390 C392 Q400 | L389-A398 WeakPolarHBondContact CD1-O 3.46Å; P390-A398 HydrophobicContact CG-CB 3.97Å; P390-A398 VanDerWaalsContact O-CB 3.29Å; P390-A398 WeakPolarHBondContact O-CB 3.29Å; P390-A398 PolarHBondContact O-N 2.91Å; C392-A398 VanDerWaalsContact SG-CA 3.56Å; A398-Q400 PolarHBondContact O-N 2.89Å |
| 399 | L | 80.8 | Confident | 71.6 | Confident | 93 Ų | 93 | 68.7 Ų | 68.7 | 49% | 0.487 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -66.6 | -38.3 | -176.9 | 178.8 | 64.7 | 0 | 0 | 0 | 112.8 | P411 Y414 C421 | L399-P411 HydrophobicContact CD2-CG 3.61Å; L399-Y414 HydrophobicContact CB-CD1 4.1Å; L399-Y414 HydrophobicContact CB-CE1 3.88Å; L399-Y414 HydrophobicContact CD2-CD1 4.07Å; L399-Y414 HydrophobicContact CD2-CD2 4.39Å; L399-Y414 HydrophobicContact CD2-CE1 3.82Å; L399-Y414 HydrophobicContact CD2-CE2 4.18Å; L399-Y414 HydrophobicContact CD2-CG 4.36Å; L399-Y414 HydrophobicContact CG-CE1 4.4Å; L399-C421 HydrophobicContact CB-CB 4.34Å; L399-C421 PolarHBondContact N-O 3.4Å |
| 400 | Q | 79.9 | Confident | 71.5 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 41% | 0.407 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -163.1 | 167.3 | 178 | 60 | -177.6 | -10.9 | 0 | 0 | 109.4 | A398 G409 G420 C421 | A398-Q400 PolarHBondContact O-N 2.89Å; Q400-G409 PolarHBondContact NE2-O 3.18Å; Q400-G420 CarbonylContact O-C 3.51Å; Q400-G420 VanDerWaalsContact O-CA 3.31Å; Q400-G420 WeakPolarHBondContact O-CA 3.41Å; Q400-C421 HydrophobicContact CG-CB 4.05Å; Q400-C421 PolarHBondContact O-N 3.14Å |
| 401 | F | 79.2 | Confident | 71.5 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 11% | 0.105 | 44% | 0.442 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 153.5 | 168.5 | -68 | -66.5 | 0 | 0 | 0 | 111.9 | P358 T359 T380 F382 C387 P388 L389 G419 | P358-F401 HydrophobicContact CG-CD1 4.27Å; T359-F401 HydrophobicContact CG2-CE1 4.36Å; T380-F401 HydrophobicContact CG2-CD2 3.79Å; T380-F401 HydrophobicContact CG2-CE2 3.33Å; T380-F401 HydrophobicContact CG2-CZ 4.21Å; F382-F401 HydrophobicContact CB-CD2 3.86Å; F382-F401 HydrophobicContact CB-CE2 3.81Å; F382-F401 HydrophobicContact CD2-CB 4.14Å; F382-F401 AromaticContact CD2-CD2 3.71Å; F382-F401 HydrophobicContact CD2-CD2 3.71Å; F382-F401 HydrophobicContact CD2-CE2 4.46Å; F382-F401 HydrophobicContact CD2-CG 4.15Å; F382-F401 HydrophobicContact CE2-CB 4.27Å; F382-F401 AromaticContact CG-CD2 3.98Å; F382-F401 HydrophobicContact CG-CD2 3.98Å; F382-F401 HydrophobicContact CG-CE2 4.29Å; C387-F401 HydrophobicContact CB-CE2 3.76Å; C387-F401 HydrophobicContact CB-CZ 3.56Å; P388-F401 WeakPolarHBondContact O-CE1 3.42Å; P388-F401 VanDerWaalsContact O-CZ 3.27Å; P388-F401 WeakPolarHBondContact O-CZ 3.37Å; L389-F401 HydrophobicContact CD2-CD2 4.48Å; L389-F401 HydrophobicContact CD2-CE2 4.49Å; F401-G419 CarbonylContact C-O 3.57Å; F401-G419 VanDerWaalsContact CA-O 3.29Å; F401-G419 WeakPolarHBondContact CA-O 3.45Å |
| 402 | C | 79.2 | Confident | 71.1 | Confident | 8 Ų | 8 | 71 Ų | 71 | 5% | 0.054 | 46% | 0.456 | C | S | . | . | trans | -139.9 | 150.2 | 174.2 | 53 | 0 | 0 | 0 | 0 | 110.9 | C416 G419 G420 | C402-C416 HydrophobicContact CB-CB 3.83Å; C402-C416 WeakPolarHBondContact CB-SG 3Å; C402-C416 WeakPolarHBondContact SG-CA 3.28Å; C402-C416 WeakPolarHBondContact SG-CB 3.06Å; C402-C416 CovalentContact SG-SG 2.03Å; C402-C416 PolarHBondContact SG-SG 2.82Å; C402-G419 PolarHBondContact N-O 3.04Å; C402-G420 VanDerWaalsContact SG-CA 3.53Å; C402-G420 PolarHBondContact SG-N 3.23Å; C402-G420 PolarHBondContact SG-O 3.19Å | ||
| 403 | L | 67.9 | Low | 70.8 | Confident | 137 Ų | 137 | 72.3 Ų | 72.3 | 72% | 0.717 | 47% | 0.471 | S | S | * | . | trans | -124 | 111.2 | -176.5 | -62.2 | 174.8 | 0 | 0 | 0 | 109.5 | F382 | F382-L403 HydrophobicContact CZ-CD1 4.43Å; F382-L403 HydrophobicContact CZ-CD2 4.37Å | ||
| 404 | G | 58 | Low | 71 | Confident | 49 Ų | 49 | 72 Ų | 72 | 51% | 0.505 | 46% | 0.461 | S | S | . | . | S | Bend | trans | 110.5 | 154.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G406 | G404-G406 PolarHBondContact O-N 3.28Š|
| 405 | E | 52.8 | Low | 71.3 | Confident | 194 Ų | 194 | 69.2 Ų | 69.2 | 91% | 0.907 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -73 | 116.5 | 176.6 | -67.4 | 176 | 171 | 0 | 0 | 110.4 | ||
| 406 | G | 53.2 | Low | 71.4 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | S | Bend | trans | 129.1 | -165.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G404 C416 | G404-G406 PolarHBondContact O-N 3.28Å; G406-C416 VanDerWaalsContact O-CB 3.29Å; G406-C416 WeakPolarHBondContact O-CB 3.44Å |
| 407 | T | 54.4 | Low | 71.2 | Confident | 91 Ų | 91 | 65.7 Ų | 65.7 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -88.1 | -5.6 | -176.9 | 48.6 | 0 | 0 | 0 | 0 | 114.1 | G409 C410 V415 | T407-G409 PolarHBondContact O-N 3.45Å; T407-C410 PolarHBondContact O-N 3.35Å; T407-V415 HydrophobicContact CG2-CG2 4.48Å |
| 408 | A | 56 | Low | 71.1 | Confident | 112 Ų | 112 | 66.6 Ų | 66.6 | 93% | 0.926 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -9.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 409 | G | 66.6 | Low | 70.8 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 42% | 0.423 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 3.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q400 T407 | Q400-G409 PolarHBondContact NE2-O 3.18Å; T407-G409 PolarHBondContact O-N 3.45Å |
| 410 | C | 74.6 | Confident | 70.6 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 13% | 0.128 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -120.6 | 147.7 | -173 | -63.9 | 0 | 0 | 0 | 0 | 112.5 | T407 Y414 C421 | T407-C410 PolarHBondContact O-N 3.35Å; C410-Y414 WeakPolarHBondContact CB-O 3.47Å; C410-C421 WeakPolarHBondContact CA-SG 3.49Å; C410-C421 HydrophobicContact CB-CB 3.85Å; C410-C421 WeakPolarHBondContact CB-SG 3.35Å; C410-C421 WeakPolarHBondContact SG-CA 2.93Å; C410-C421 WeakPolarHBondContact SG-CB 3.28Å; C410-C421 CovalentContact SG-SG 2.04Å; C410-C421 PolarHBondContact SG-SG 2.78Å |
| 411 | P | 78.1 | Confident | 70.8 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | trans | -67.6 | 157.1 | 175.6 | 28.2 | -33.4 | 0 | 0 | 0 | 111.3 | L399 G413 Y414 | L399-P411 HydrophobicContact CD2-CG 3.61Å; P411-G413 PolarHBondContact O-N 2.82Å; P411-Y414 HydrophobicContact CG-CD2 3.85Å; P411-Y414 HydrophobicContact CG-CE2 4.46Å; P411-Y414 HydrophobicContact CG-CG 4.2Å; P411-Y414 WeakPolarHBondContact O-CB 3.41Å; P411-Y414 PolarHBondContact O-N 2.63Å | ||
| 412 | P | 71.6 | Confident | 71.1 | Confident | 134 Ų | 134 | 57.6 Ų | 57.6 | 87% | 0.87 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | 132.3 | 178.7 | -27.8 | 35.7 | 0 | 0 | 0 | 112.8 | ||
| 413 | G | 73.2 | Confident | 71.3 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | -5.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | P411 L424 | P411-G413 PolarHBondContact O-N 2.82Å; G413-L424 PolarHBondContact O-N 3.18Å |
| 414 | Y | 79.9 | Confident | 71.6 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 25% | 0.247 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.7 | 177.1 | -64.9 | -108.2 | 0 | 0 | 0 | 111.2 | L399 C410 P411 C421 C422 Q423 | L399-Y414 HydrophobicContact CB-CD1 4.1Å; L399-Y414 HydrophobicContact CB-CE1 3.88Å; L399-Y414 HydrophobicContact CD2-CD1 4.07Å; L399-Y414 HydrophobicContact CD2-CD2 4.39Å; L399-Y414 HydrophobicContact CD2-CE1 3.82Å; L399-Y414 HydrophobicContact CD2-CE2 4.18Å; L399-Y414 HydrophobicContact CD2-CG 4.36Å; L399-Y414 HydrophobicContact CG-CE1 4.4Å; C410-Y414 WeakPolarHBondContact CB-O 3.47Å; P411-Y414 HydrophobicContact CG-CD2 3.85Å; P411-Y414 HydrophobicContact CG-CE2 4.46Å; P411-Y414 HydrophobicContact CG-CG 4.2Å; P411-Y414 WeakPolarHBondContact O-CB 3.41Å; P411-Y414 PolarHBondContact O-N 2.63Å; Y414-C421 HydrophobicContact CD1-CB 4.49Å; Y414-C422 CarbonylContact C-O 3.57Å; Y414-C422 VanDerWaalsContact CA-O 3.29Å; Y414-C422 WeakPolarHBondContact CA-O 3.44Å; Y414-Q423 HydrophobicContact CD1-CB 4.04Å; Y414-Q423 HydrophobicContact CE1-CB 3.72Å; Y414-Q423 HydrophobicContact CE1-CG 4.47Å |
| 415 | V | 78.8 | Confident | 72.3 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.9 | 174.3 | 70 | 0 | 0 | 0 | 0 | 110.3 | T407 Y417 C421 C422 L424 F436 | T407-V415 HydrophobicContact CG2-CG2 4.48Å; V415-Y417 PolarHBondContact O-N 3.47Å; V415-C421 WeakPolarHBondContact O-CA 3.22Å; V415-C422 PolarHBondContact N-O 3.43Å; V415-C422 PolarHBondContact O-N 2.92Å; V415-L424 HydrophobicContact CB-CD1 4.06Å; V415-L424 HydrophobicContact CB-CD2 4.08Å; V415-L424 HydrophobicContact CB-CG 4.07Å; V415-L424 HydrophobicContact CG1-CD1 4.45Å; V415-L424 HydrophobicContact CG1-CD2 3.67Å; V415-L424 HydrophobicContact CG1-CG 3.9Å; V415-F436 HydrophobicContact CG1-CD2 3.69Å; V415-F436 HydrophobicContact CG1-CE2 3.4Å; V415-F436 VanDerWaalsContact CG1-CE2 3.4Å; V415-F436 HydrophobicContact CG1-CZ 4.39Å |
| 416 | C | 78.4 | Confident | 73.2 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 120 | 172.8 | -165.4 | 0 | 0 | 0 | 0 | 110.5 | C402 G406 | C402-C416 HydrophobicContact CB-CB 3.83Å; C402-C416 WeakPolarHBondContact CB-SG 3Å; C402-C416 WeakPolarHBondContact SG-CA 3.28Å; C402-C416 WeakPolarHBondContact SG-CB 3.06Å; C402-C416 CovalentContact SG-SG 2.03Å; C402-C416 PolarHBondContact SG-SG 2.82Å; G406-C416 VanDerWaalsContact O-CB 3.29Å; G406-C416 WeakPolarHBondContact O-CB 3.44Å |
| 417 | Y | 76.3 | Confident | 74.1 | Confident | 77 Ų | 77 | 49.6 Ų | 49.6 | 30% | 0.302 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.8 | 177.7 | -177.3 | -91.8 | 0 | 0 | 0 | 109.2 | P393 V415 G419 G420 F436 | P393-Y417 HydrophobicContact CG-CD1 3.94Å; P393-Y417 HydrophobicContact CG-CD2 4.48Å; P393-Y417 HydrophobicContact CG-CE1 3.58Å; P393-Y417 HydrophobicContact CG-CE2 4.16Å; P393-Y417 HydrophobicContact CG-CG 4.38Å; V415-Y417 PolarHBondContact O-N 3.47Å; Y417-G419 PolarHBondContact O-N 3.44Å; Y417-G419 VanDerWaalsContact O-N 3.07Å; Y417-G420 PolarHBondContact N-O 3.27Å; Y417-G420 PolarHBondContact O-N 2.98Å; Y417-G420 VanDerWaalsContact O-O 3.12Å; Y417-F436 AromaticContact CD2-CD2 3.84Å; Y417-F436 HydrophobicContact CD2-CD2 3.84Å; Y417-F436 HydrophobicContact CG-CD2 4.07Å; Y417-F436 HydrophobicContact CG-CE2 4.35Å |
| 418 | N | 73.9 | Confident | 74.6 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 60% | 0.599 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.9 | 39.5 | -175 | -67.6 | -14.5 | 0 | 0 | 0 | 114.3 | ||
| 419 | G | 73.3 | Confident | 74.9 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 19% | 0.186 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 8.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F401 C402 Y417 | F401-G419 CarbonylContact C-O 3.57Å; F401-G419 VanDerWaalsContact CA-O 3.29Å; F401-G419 WeakPolarHBondContact CA-O 3.45Å; C402-G419 PolarHBondContact N-O 3.04Å; Y417-G419 PolarHBondContact O-N 3.44Å; Y417-G419 VanDerWaalsContact O-N 3.07Å |
| 420 | G | 77.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q400 C402 Y417 C422 | Q400-G420 CarbonylContact O-C 3.51Å; Q400-G420 VanDerWaalsContact O-CA 3.31Å; Q400-G420 WeakPolarHBondContact O-CA 3.41Å; C402-G420 VanDerWaalsContact SG-CA 3.53Å; C402-G420 PolarHBondContact SG-N 3.23Å; C402-G420 PolarHBondContact SG-O 3.19Å; Y417-G420 PolarHBondContact N-O 3.27Å; Y417-G420 PolarHBondContact O-N 2.98Å; Y417-G420 VanDerWaalsContact O-O 3.12Å; G420-C422 PolarHBondContact O-N 3.25Å |
| 421 | C | 83.7 | Confident | 74.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 107.2 | 174.5 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | L399 Q400 C410 Y414 V415 | L399-C421 HydrophobicContact CB-CB 4.34Å; L399-C421 PolarHBondContact N-O 3.4Å; Q400-C421 HydrophobicContact CG-CB 4.05Å; Q400-C421 PolarHBondContact O-N 3.14Å; C410-C421 WeakPolarHBondContact CA-SG 3.49Å; C410-C421 HydrophobicContact CB-CB 3.85Å; C410-C421 WeakPolarHBondContact CB-SG 3.35Å; C410-C421 WeakPolarHBondContact SG-CA 2.93Å; C410-C421 WeakPolarHBondContact SG-CB 3.28Å; C410-C421 CovalentContact SG-SG 2.04Å; C410-C421 PolarHBondContact SG-SG 2.78Å; Y414-C421 HydrophobicContact CD1-CB 4.49Å; V415-C421 WeakPolarHBondContact O-CA 3.22Å |
| 422 | C | 84.4 | Confident | 74.1 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 137.7 | -178.1 | -72.2 | 0 | 0 | 0 | 0 | 111.3 | C392 Y414 V415 G420 L424 F436 | C392-C422 WeakPolarHBondContact CA-SG 3.47Å; C392-C422 HydrophobicContact CB-CB 3.69Å; C392-C422 WeakPolarHBondContact CB-SG 3.26Å; C392-C422 WeakPolarHBondContact SG-CA 3.45Å; C392-C422 WeakPolarHBondContact SG-CB 3.45Å; C392-C422 CovalentContact SG-SG 2.03Å; C392-C422 PolarHBondContact SG-SG 2.66Å; Y414-C422 CarbonylContact C-O 3.57Å; Y414-C422 VanDerWaalsContact CA-O 3.29Å; Y414-C422 WeakPolarHBondContact CA-O 3.44Å; V415-C422 PolarHBondContact N-O 3.43Å; V415-C422 PolarHBondContact O-N 2.92Å; G420-C422 PolarHBondContact O-N 3.25Å; C422-L424 PolarHBondContact O-N 2.79Å; C422-F436 HydrophobicContact CB-CE2 3.61Å; C422-F436 HydrophobicContact CB-CZ 3.66Å |
| 423 | Q | 83.2 | Confident | 74.1 | Confident | 98 Ų | 98 | 48.7 Ų | 48.7 | 46% | 0.458 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 127.3 | -178.6 | -174.1 | 178.8 | -12.3 | 0 | 0 | 110.4 | Y414 F436 | Y414-Q423 HydrophobicContact CD1-CB 4.04Å; Y414-Q423 HydrophobicContact CE1-CB 3.72Å; Y414-Q423 HydrophobicContact CE1-CG 4.47Å; Q423-F436 VanDerWaalsContact O-CZ 3.26Å; Q423-F436 WeakPolarHBondContact O-CZ 3.04Å |
| 424 | L | 75.3 | Confident | 74.2 | Confident | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 143.4 | 177.6 | -76 | 152.6 | 0 | 0 | 0 | 111.1 | G413 V415 C422 C433 | G413-L424 PolarHBondContact O-N 3.18Å; V415-L424 HydrophobicContact CB-CD1 4.06Å; V415-L424 HydrophobicContact CB-CD2 4.08Å; V415-L424 HydrophobicContact CB-CG 4.07Å; V415-L424 HydrophobicContact CG1-CD1 4.45Å; V415-L424 HydrophobicContact CG1-CD2 3.67Å; V415-L424 HydrophobicContact CG1-CG 3.9Å; C422-L424 PolarHBondContact O-N 2.79Å; L424-C433 HydrophobicContact CB-CB 4.37Å; L424-C433 WeakPolarHBondContact CD1-O 3.42Å; L424-C433 HydrophobicContact CD2-CB 3.96Å |
| 425 | P | 71.8 | Confident | 73.8 | Confident | 33 Ų | 33 | 48.5 Ų | 48.5 | 21% | 0.214 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 153.5 | 170.2 | -21.1 | 33.5 | 0 | 0 | 0 | 111.7 | C433 F436 | P425-C433 PolarHBondContact O-N 3.18Å; P425-C433 PolarHBondContact O-SG 3.09Å; P425-F436 HydrophobicContact CG-CD1 4.34Å; P425-F436 HydrophobicContact CG-CE1 4.24Å |
| 426 | V | 73.6 | Confident | 73.7 | Confident | 100 Ų | 100 | 49.4 Ų | 49.4 | 61% | 0.606 | 32% | 0.316 | S | S | * | . | B | Isolated β-bridge | trans | -95 | 124.5 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 427 | C | 70.7 | Confident | 73.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 156.8 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | G429 G430 L431 C433 C455 | C427-G429 PolarHBondContact O-N 3.29Å; C427-G430 PolarHBondContact O-N 2.82Å; C427-L431 HydrophobicContact CB-CB 4.09Å; C427-L431 VanDerWaalsContact CB-O 3.24Å; C427-L431 WeakPolarHBondContact CB-O 3.34Å; C427-L431 PolarHBondContact N-O 3Å; C427-C433 PolarHBondContact SG-SG 3.26Å; C427-C455 VanDerWaalsContact CA-SG 3.56Å; C427-C455 HydrophobicContact CB-CB 3.93Å; C427-C455 WeakPolarHBondContact CB-SG 3.34Å; C427-C455 WeakPolarHBondContact SG-CA 3.48Å; C427-C455 WeakPolarHBondContact SG-CB 3.09Å; C427-C455 CovalentContact SG-SG 2.03Å; C427-C455 PolarHBondContact SG-SG 2.94Å |
| 428 | P | 64.8 | Low | 73.3 | Confident | 96 Ų | 96 | 51.8 Ų | 51.8 | 62% | 0.623 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 131.6 | 164.6 | -25.2 | 34.9 | 0 | 0 | 0 | 110.8 | M450 | P428-M450 HydrophobicContact CG-CE 4.44Å; P428-M450 HydrophobicContact CG-SD 4.44Å |
| 429 | G | 62.9 | Low | 72.6 | Confident | 86 Ų | 86 | 55 Ų | 55 | 89% | 0.887 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.6 | 2.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | C427 | C427-G429 PolarHBondContact O-N 3.29Š|
| 430 | G | 65.6 | Low | 71.9 | Confident | 57 Ų | 57 | 58.1 Ų | 58.1 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 84.8 | 10 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | C427 | C427-G430 PolarHBondContact O-N 2.82Š|
| 431 | L | 67.6 | Low | 70.9 | Confident | 100 Ų | 100 | 61.4 Ų | 61.4 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 147.1 | 173.4 | -63.8 | 167.8 | 0 | 0 | 0 | 110.4 | C427 P456 | C427-L431 HydrophobicContact CB-CB 4.09Å; C427-L431 VanDerWaalsContact CB-O 3.24Å; C427-L431 WeakPolarHBondContact CB-O 3.34Å; C427-L431 PolarHBondContact N-O 3Å; L431-P456 HydrophobicContact CD1-CG 3.96Å |
| 432 | S | 68.5 | Low | 70.2 | Confident | 81 Ų | 81 | 67.1 Ų | 67.1 | 57% | 0.566 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -81 | 140.4 | 174.1 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 433 | C | 72.3 | Confident | 69.7 | Low | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.027 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -63 | 156.9 | 164.9 | -62.4 | 0 | 0 | 0 | 0 | 111 | L424 P425 C427 G453 C454 | L424-C433 HydrophobicContact CB-CB 4.37Å; L424-C433 WeakPolarHBondContact CD1-O 3.42Å; L424-C433 HydrophobicContact CD2-CB 3.96Å; P425-C433 PolarHBondContact O-N 3.18Å; P425-C433 PolarHBondContact O-SG 3.09Å; C427-C433 PolarHBondContact SG-SG 3.26Å; C433-G453 VanDerWaalsContact SG-CA 3.57Å; C433-C454 CarbonylContact C-O 3.57Å; C433-C454 VanDerWaalsContact CA-O 3.27Å; C433-C454 WeakPolarHBondContact CA-O 3.38Å |
| 434 | V | 74.9 | Confident | 69.2 | Low | 60 Ų | 60 | 66.4 Ų | 66.4 | 36% | 0.364 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -92.5 | -25.6 | 172.9 | -67.4 | 0 | 0 | 0 | 0 | 113.9 | Y447 C454 | V434-Y447 HydrophobicContact CB-CD1 4.5Å; V434-Y447 HydrophobicContact CB-CE1 4.15Å; V434-Y447 HydrophobicContact CG1-CD1 4.16Å; V434-Y447 HydrophobicContact CG1-CE1 3.38Å; V434-Y447 HydrophobicContact CG2-CD1 3.54Å; V434-Y447 HydrophobicContact CG2-CD2 4.38Å; V434-Y447 HydrophobicContact CG2-CE1 3.63Å; V434-Y447 HydrophobicContact CG2-CE2 4.43Å; V434-Y447 HydrophobicContact CG2-CG 3.97Å; V434-C454 HydrophobicContact CG2-CB 3.86Å; V434-C454 PolarHBondContact N-O 2.96Å |
| 435 | S | 72.3 | Confident | 68.9 | Low | 35 Ų | 35 | 72.1 Ų | 72.1 | 25% | 0.245 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -154.6 | 169.8 | 177.1 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | G453 C454 | S435-G453 CarbonylContact O-C 3.54Å; S435-G453 VanDerWaalsContact O-CA 3.3Å; S435-G453 WeakPolarHBondContact O-CA 3.3Å; S435-C454 PolarHBondContact O-N 2.63Å; S435-C454 PolarHBondContact OG-SG 2.68Å |
| 436 | F | 75.8 | Confident | 69 | Low | 31 Ų | 31 | 71.4 Ų | 71.4 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | B | Isolated β-bridge | trans | -72.1 | 164.5 | 160.7 | -63.5 | -78 | 0 | 0 | 0 | 111 | P393 V415 Y417 C422 Q423 P425 G452 | P393-F436 HydrophobicContact CB-CD1 4.26Å; P393-F436 HydrophobicContact CB-CE1 4.46Å; P393-F436 HydrophobicContact CG-CD1 3.95Å; P393-F436 HydrophobicContact CG-CD2 4.29Å; P393-F436 HydrophobicContact CG-CE1 4.19Å; P393-F436 HydrophobicContact CG-CG 4.01Å; P393-F436 HydrophobicContact CG-CZ 4.48Å; V415-F436 HydrophobicContact CG1-CD2 3.69Å; V415-F436 HydrophobicContact CG1-CE2 3.4Å; V415-F436 VanDerWaalsContact CG1-CE2 3.4Å; V415-F436 HydrophobicContact CG1-CZ 4.39Å; Y417-F436 AromaticContact CD2-CD2 3.84Å; Y417-F436 HydrophobicContact CD2-CD2 3.84Å; Y417-F436 HydrophobicContact CG-CD2 4.07Å; Y417-F436 HydrophobicContact CG-CE2 4.35Å; C422-F436 HydrophobicContact CB-CE2 3.61Å; C422-F436 HydrophobicContact CB-CZ 3.66Å; Q423-F436 VanDerWaalsContact O-CZ 3.26Å; Q423-F436 WeakPolarHBondContact O-CZ 3.04Å; P425-F436 HydrophobicContact CG-CD1 4.34Å; P425-F436 HydrophobicContact CG-CE1 4.24Å; F436-G452 CarbonylContact C-O 3.37Å; F436-G452 WeakPolarHBondContact CA-O 3.25Å |
| 437 | C | 76.1 | Confident | 69.3 | Low | 14 Ų | 14 | 70.7 Ų | 70.7 | 10% | 0.095 | 46% | 0.464 | C | S | . | . | trans | -152.8 | 145.8 | 168.8 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | C449 G452 G453 | C437-C449 HydrophobicContact CB-CB 3.86Å; C437-C449 WeakPolarHBondContact CB-SG 3.38Å; C437-C449 WeakPolarHBondContact SG-CA 3.04Å; C437-C449 WeakPolarHBondContact SG-CB 3.35Å; C437-C449 CovalentContact SG-SG 2.03Å; C437-C449 PolarHBondContact SG-SG 3.05Å; C437-G452 PolarHBondContact N-O 2.77Å; C437-G452 CarbonylContact O-C 3.47Å; C437-G452 WeakPolarHBondContact O-CA 2.99Å; C437-G452 VanDerWaalsContact SG-C 3.57Å; C437-G453 VanDerWaalsContact SG-CA 3.59Å; C437-G453 PolarHBondContact SG-N 3.1Å; C437-G453 VanDerWaalsContact SG-N 3.4Å; C437-G453 PolarHBondContact SG-O 2.85Å | ||
| 438 | E | 71.8 | Confident | 69.7 | Low | 138 Ų | 138 | 72.3 Ų | 72.3 | 65% | 0.645 | 47% | 0.474 | S | S | * | . | trans | -98.3 | 158.7 | 166.3 | -64.8 | -172.6 | 135.7 | 0 | 0 | 110.7 | G440 T441 | E438-G440 PolarHBondContact O-N 3.03Å; E438-T441 HydrophobicContact CB-CG2 4.06Å; E438-T441 PolarHBondContact N-OG1 3.04Å; E438-T441 PolarHBondContact O-N 3.13Å; E438-T441 PolarHBondContact O-OG1 2.03Å | ||
| 439 | I | 59 | Low | 70.3 | Confident | 180 Ų | 180 | 70 Ų | 70 | 92% | 0.923 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 110.3 | 178.9 | -58.1 | 175.2 | 0 | 0 | 0 | 109.1 | ||
| 440 | G | 57.1 | Low | 70.7 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 87% | 0.866 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.1 | -10.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E438 | E438-G440 PolarHBondContact O-N 3.03Š|
| 441 | T | 58 | Low | 71 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 134.5 | 170.8 | 62 | 0 | 0 | 0 | 0 | 111.2 | E438 C443 | E438-T441 HydrophobicContact CB-CG2 4.06Å; E438-T441 PolarHBondContact N-OG1 3.04Å; E438-T441 PolarHBondContact O-N 3.13Å; E438-T441 PolarHBondContact O-OG1 2.03Å; T441-C443 PolarHBondContact O-N 2.82Å |
| 442 | S | 68.6 | Low | 71.2 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 83% | 0.832 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 117.4 | -179 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 443 | C | 73.7 | Confident | 71.5 | Confident | 21 Ų | 21 | 63.8 Ų | 63.8 | 14% | 0.142 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 159.4 | 163.9 | -70 | 0 | 0 | 0 | 0 | 111.7 | T441 Y447 C454 | T441-C443 PolarHBondContact O-N 2.82Å; C443-Y447 WeakPolarHBondContact CB-O 3.42Å; C443-C454 VanDerWaalsContact CA-SG 3.51Å; C443-C454 HydrophobicContact CB-CB 3.8Å; C443-C454 WeakPolarHBondContact CB-SG 3.13Å; C443-C454 WeakPolarHBondContact SG-CA 3Å; C443-C454 WeakPolarHBondContact SG-CB 3.32Å; C443-C454 CovalentContact SG-SG 2.04Å; C443-C454 PolarHBondContact SG-SG 3.47Å |
| 444 | P | 73 | Confident | 71.9 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 42% | 0.416 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -58 | 153.4 | 173.8 | -23.1 | 34 | 0 | 0 | 0 | 112.4 | G446 Y447 | P444-G446 PolarHBondContact O-N 2.77Å; P444-Y447 HydrophobicContact CB-CD2 4.16Å; P444-Y447 WeakPolarHBondContact O-CB 3.29Å; P444-Y447 PolarHBondContact O-N 3.07Å |
| 445 | P | 70 | Confident | 72.2 | Confident | 135 Ų | 135 | 60.9 Ų | 60.9 | 88% | 0.877 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 130.1 | 177.2 | -27.5 | 35.4 | 0 | 0 | 0 | 112.4 | ||
| 446 | G | 72.2 | Confident | 72.6 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 2.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | P444 L457 | P444-G446 PolarHBondContact O-N 2.77Å; G446-L457 PolarHBondContact O-N 2.99Å |
| 447 | Y | 80.1 | Confident | 72.7 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 33% | 0.333 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.3 | 174.6 | -62.6 | -95.4 | 0 | 0 | 0 | 111.6 | V434 C443 P444 C455 P456 | V434-Y447 HydrophobicContact CB-CD1 4.5Å; V434-Y447 HydrophobicContact CB-CE1 4.15Å; V434-Y447 HydrophobicContact CG1-CD1 4.16Å; V434-Y447 HydrophobicContact CG1-CE1 3.38Å; V434-Y447 HydrophobicContact CG2-CD1 3.54Å; V434-Y447 HydrophobicContact CG2-CD2 4.38Å; V434-Y447 HydrophobicContact CG2-CE1 3.63Å; V434-Y447 HydrophobicContact CG2-CE2 4.43Å; V434-Y447 HydrophobicContact CG2-CG 3.97Å; C443-Y447 WeakPolarHBondContact CB-O 3.42Å; P444-Y447 HydrophobicContact CB-CD2 4.16Å; P444-Y447 WeakPolarHBondContact O-CB 3.29Å; P444-Y447 PolarHBondContact O-N 3.07Å; Y447-C455 CarbonylContact C-O 3.51Å; Y447-C455 VanDerWaalsContact CA-O 3.23Å; Y447-C455 WeakPolarHBondContact CA-O 3.48Å; Y447-P456 HydrophobicContact CD1-CB 4.14Å; Y447-P456 HydrophobicContact CE1-CB 3.87Å |
| 448 | T | 78.6 | Confident | 72.7 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.2 | 176 | -174.6 | 0 | 0 | 0 | 0 | 111 | M450 C454 C455 L457 L469 | T448-M450 HydrophobicContact CG2-CE 4.09Å; T448-M450 HydrophobicContact CG2-CG 4.31Å; T448-M450 PolarHBondContact O-N 3.21Å; T448-C454 WeakPolarHBondContact O-CA 3.48Å; T448-C455 PolarHBondContact N-O 3.4Å; T448-C455 PolarHBondContact O-N 3.48Å; T448-L457 HydrophobicContact CG2-CD2 3.76Å; T448-L457 HydrophobicContact CG2-CG 3.94Å; T448-L469 HydrophobicContact CG2-CD1 4.17Å; T448-L469 HydrophobicContact CG2-CG 4.44Å |
| 449 | C | 77.3 | Confident | 73.1 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114.3 | -178.8 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | C437 | C437-C449 HydrophobicContact CB-CB 3.86Å; C437-C449 WeakPolarHBondContact CB-SG 3.38Å; C437-C449 WeakPolarHBondContact SG-CA 3.04Å; C437-C449 WeakPolarHBondContact SG-CB 3.35Å; C437-C449 CovalentContact SG-SG 2.03Å; C437-C449 PolarHBondContact SG-SG 3.05Å |
| 450 | M | 72.4 | Confident | 74.2 | Confident | 50 Ų | 50 | 51.5 Ų | 51.5 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.9 | 174.1 | -70.7 | -167.4 | -72.6 | 0 | 0 | 110.2 | P428 T448 G452 G453 C455 L469 | P428-M450 HydrophobicContact CG-CE 4.44Å; P428-M450 HydrophobicContact CG-SD 4.44Å; T448-M450 HydrophobicContact CG2-CE 4.09Å; T448-M450 HydrophobicContact CG2-CG 4.31Å; T448-M450 PolarHBondContact O-N 3.21Å; M450-G452 PolarHBondContact O-N 2.81Å; M450-G452 VanDerWaalsContact O-N 3.08Å; M450-G453 PolarHBondContact N-O 3.24Å; M450-G453 PolarHBondContact O-N 2.89Å; M450-C455 HydrophobicContact CE-CB 3.48Å; M450-C455 VanDerWaalsContact CE-CB 3.48Å; M450-L469 HydrophobicContact CE-CD1 4.06Å; M450-L469 HydrophobicContact SD-CD1 3.59Å; M450-L469 VanDerWaalsContact SD-CD1 3.59Å |
| 451 | S | 71 | Confident | 75.2 | Confident | 111 Ų | 111 | 52.1 Ų | 52.1 | 78% | 0.776 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 34.1 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 452 | G | 71.5 | Confident | 75.7 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 9.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F436 C437 M450 | F436-G452 CarbonylContact C-O 3.37Å; F436-G452 WeakPolarHBondContact CA-O 3.25Å; C437-G452 PolarHBondContact N-O 2.77Å; C437-G452 CarbonylContact O-C 3.47Å; C437-G452 WeakPolarHBondContact O-CA 2.99Å; C437-G452 VanDerWaalsContact SG-C 3.57Å; M450-G452 PolarHBondContact O-N 2.81Å; M450-G452 VanDerWaalsContact O-N 3.08Å |
| 453 | G | 74.8 | Confident | 76 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 151.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C433 S435 C437 M450 C455 | C433-G453 VanDerWaalsContact SG-CA 3.57Å; S435-G453 CarbonylContact O-C 3.54Å; S435-G453 VanDerWaalsContact O-CA 3.3Å; S435-G453 WeakPolarHBondContact O-CA 3.3Å; C437-G453 VanDerWaalsContact SG-CA 3.59Å; C437-G453 PolarHBondContact SG-N 3.1Å; C437-G453 VanDerWaalsContact SG-N 3.4Å; C437-G453 PolarHBondContact SG-O 2.85Å; M450-G453 PolarHBondContact N-O 3.24Å; M450-G453 PolarHBondContact O-N 2.89Å; G453-C455 PolarHBondContact O-N 3.1Å |
| 454 | C | 82.2 | Confident | 76.1 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 102 | 178.1 | -69.5 | 0 | 0 | 0 | 0 | 110.6 | C433 V434 S435 C443 T448 | C433-C454 CarbonylContact C-O 3.57Å; C433-C454 VanDerWaalsContact CA-O 3.27Å; C433-C454 WeakPolarHBondContact CA-O 3.38Å; V434-C454 HydrophobicContact CG2-CB 3.86Å; V434-C454 PolarHBondContact N-O 2.96Å; S435-C454 PolarHBondContact O-N 2.63Å; S435-C454 PolarHBondContact OG-SG 2.68Å; C443-C454 VanDerWaalsContact CA-SG 3.51Å; C443-C454 HydrophobicContact CB-CB 3.8Å; C443-C454 WeakPolarHBondContact CB-SG 3.13Å; C443-C454 WeakPolarHBondContact SG-CA 3Å; C443-C454 WeakPolarHBondContact SG-CB 3.32Å; C443-C454 CovalentContact SG-SG 2.04Å; C443-C454 PolarHBondContact SG-SG 3.47Å; T448-C454 WeakPolarHBondContact O-CA 3.48Å |
| 455 | C | 81.3 | Confident | 76.3 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 143.2 | 178 | -72.1 | 0 | 0 | 0 | 0 | 111.5 | C427 Y447 T448 M450 G453 | C427-C455 VanDerWaalsContact CA-SG 3.56Å; C427-C455 HydrophobicContact CB-CB 3.93Å; C427-C455 WeakPolarHBondContact CB-SG 3.34Å; C427-C455 WeakPolarHBondContact SG-CA 3.48Å; C427-C455 WeakPolarHBondContact SG-CB 3.09Å; C427-C455 CovalentContact SG-SG 2.03Å; C427-C455 PolarHBondContact SG-SG 2.94Å; Y447-C455 CarbonylContact C-O 3.51Å; Y447-C455 VanDerWaalsContact CA-O 3.23Å; Y447-C455 WeakPolarHBondContact CA-O 3.48Å; T448-C455 PolarHBondContact N-O 3.4Å; T448-C455 PolarHBondContact O-N 3.48Å; M450-C455 HydrophobicContact CE-CB 3.48Å; M450-C455 VanDerWaalsContact CE-CB 3.48Å; G453-C455 PolarHBondContact O-N 3.1Å |
| 456 | P | 79.6 | Confident | 76.8 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 139.3 | 177.3 | 27.7 | -34.6 | 0 | 0 | 0 | 111.1 | L431 Y447 | L431-P456 HydrophobicContact CD1-CG 3.96Å; Y447-P456 HydrophobicContact CD1-CB 4.14Å; Y447-P456 HydrophobicContact CE1-CB 3.87Å |
| 457 | L | 78.2 | Confident | 77 | Confident | 19 Ų | 19 | 49 Ų | 49 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 150.8 | 171.8 | -78.9 | 153.6 | 0 | 0 | 0 | 110.7 | G446 T448 A466 L469 | G446-L457 PolarHBondContact O-N 2.99Å; T448-L457 HydrophobicContact CG2-CD2 3.76Å; T448-L457 HydrophobicContact CG2-CG 3.94Å; L457-A466 WeakPolarHBondContact CD1-O 3.4Å; L457-L469 HydrophobicContact CD2-CD2 4.17Å; L457-L469 HydrophobicContact CD2-CG 4.05Å |
| 458 | P | 77.2 | Confident | 76.9 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 21% | 0.214 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 143.7 | 178.9 | -25.3 | 34.6 | 0 | 0 | 0 | 112.5 | A466 L469 | P458-A466 WeakPolarHBondContact O-CB 3.38Å; P458-A466 PolarHBondContact O-N 3.16Å; P458-L469 HydrophobicContact CG-CD2 3.8Å |
| 459 | T | 79.6 | Confident | 77.1 | Confident | 92 Ų | 92 | 48.3 Ų | 48.3 | 56% | 0.564 | 33% | 0.331 | S | S | * | . | B | Isolated β-bridge | trans | -80 | 126.1 | 172.8 | -5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 460 | C | 82.1 | Confident | 77.4 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 156.7 | 169.6 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | G462 G463 Q464 C488 | C460-G462 PolarHBondContact O-N 2.98Å; C460-G462 VanDerWaalsContact O-N 3.1Å; C460-G463 PolarHBondContact O-N 3.1Å; C460-Q464 WeakPolarHBondContact CB-O 3.45Å; C460-Q464 PolarHBondContact N-O 2.94Å; C460-C488 WeakPolarHBondContact CA-SG 3.38Å; C460-C488 HydrophobicContact CB-CB 3.72Å; C460-C488 WeakPolarHBondContact CB-SG 3.23Å; C460-C488 WeakPolarHBondContact SG-CA 3.31Å; C460-C488 WeakPolarHBondContact SG-CB 3.39Å; C460-C488 CovalentContact SG-SG 2.03Å; C460-C488 PolarHBondContact SG-SG 3.17Å |
| 461 | S | 78.1 | Confident | 78 | Confident | 98 Ų | 98 | 50.6 Ų | 50.6 | 69% | 0.685 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -28.2 | 174.8 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | G463 E483 | S461-G463 PolarHBondContact O-N 2.85Å; S461-E483 WeakPolarHBondContact CB-OE1 3.35Å; S461-E483 PolarHBondContact N-OE1 2.85Å; S461-E483 PolarHBondContact OG-OE1 3.3Å |
| 462 | G | 69.1 | Low | 78.6 | Confident | 62 Ų | 62 | 50.4 Ų | 50.4 | 64% | 0.639 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 6.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | C460 Q464 | C460-G462 PolarHBondContact O-N 2.98Å; C460-G462 VanDerWaalsContact O-N 3.1Å; G462-Q464 VanDerWaalsContact C-N 3.26Å; G462-Q464 PolarHBondContact O-N 2.86Å |
| 463 | G | 73.1 | Confident | 78.9 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 54% | 0.536 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 75.3 | 4.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | C460 S461 | C460-G463 PolarHBondContact O-N 3.1Å; S461-G463 PolarHBondContact O-N 2.85Å |
| 464 | Q | 77.5 | Confident | 79.2 | Confident | 122 Ų | 122 | 56.9 Ų | 56.9 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -89.3 | 150.9 | 172.5 | -58.3 | -55.3 | -59.9 | 0 | 0 | 110.6 | C460 G462 | C460-Q464 WeakPolarHBondContact CB-O 3.45Å; C460-Q464 PolarHBondContact N-O 2.94Å; G462-Q464 VanDerWaalsContact C-N 3.26Å; G462-Q464 PolarHBondContact O-N 2.86Å |
| 465 | P | 76.1 | Confident | 79.2 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 41% | 0.409 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -67.6 | 144.7 | 166 | 30.5 | -34.1 | 0 | 0 | 0 | 110.5 | ||
| 466 | A | 80.1 | Confident | 79.1 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.033 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 154.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L457 P458 C487 | L457-A466 WeakPolarHBondContact CD1-O 3.4Å; P458-A466 WeakPolarHBondContact O-CB 3.38Å; P458-A466 PolarHBondContact O-N 3.16Å; A466-C487 WeakPolarHBondContact CA-O 3.38Å; A466-C487 WeakPolarHBondContact CB-O 3.06Å |
| 467 | A | 77.4 | Confident | 79 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 48% | 0.479 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -77.2 | -30.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F480 C487 | A467-F480 HydrophobicContact CB-CD1 4.01Å; A467-F480 HydrophobicContact CB-CE1 3.57Å; A467-F480 HydrophobicContact CB-CZ 4.07Å; A467-C487 PolarHBondContact N-O 2.98Å |
| 468 | S | 77.7 | Confident | 78.8 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 27% | 0.266 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -155.7 | 174.9 | 177.8 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | G486 C487 | S468-G486 CarbonylContact O-C 3.57Å; S468-G486 VanDerWaalsContact O-CA 3.31Å; S468-G486 WeakPolarHBondContact O-CA 3.41Å; S468-C487 PolarHBondContact O-N 3.49Å; S468-C487 WeakPolarHBondContact OG-CB 3.31Å; S468-C487 PolarHBondContact OG-SG 2.97Å |
| 469 | L | 82.5 | Confident | 78.4 | Confident | 73 Ų | 73 | 67 Ų | 67 | 38% | 0.382 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -84.3 | 159.2 | 167.8 | -64.8 | 171.2 | 0 | 0 | 0 | 110.7 | T448 M450 L457 P458 G485 | T448-L469 HydrophobicContact CG2-CD1 4.17Å; T448-L469 HydrophobicContact CG2-CG 4.44Å; M450-L469 HydrophobicContact CE-CD1 4.06Å; M450-L469 HydrophobicContact SD-CD1 3.59Å; M450-L469 VanDerWaalsContact SD-CD1 3.59Å; L457-L469 HydrophobicContact CD2-CD2 4.17Å; L457-L469 HydrophobicContact CD2-CG 4.05Å; P458-L469 HydrophobicContact CG-CD2 3.8Å; L469-G485 WeakPolarHBondContact CA-O 3.29Å |
| 470 | C | 83.7 | Confident | 78.5 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 10% | 0.101 | 43% | 0.433 | C | S | . | . | trans | -155 | 159.9 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | D475 C482 G485 G486 C487 | C470-D475 HydrophobicContact CB-CB 4.01Å; C470-C482 HydrophobicContact CB-CB 3.81Å; C470-C482 WeakPolarHBondContact CB-SG 3.38Å; C470-C482 WeakPolarHBondContact SG-CA 3.37Å; C470-C482 WeakPolarHBondContact SG-CB 3.45Å; C470-C482 CovalentContact SG-SG 2.03Å; C470-C482 PolarHBondContact SG-SG 3.05Å; C470-G485 PolarHBondContact N-O 2.93Å; C470-G485 VanDerWaalsContact SG-C 3.5Å; C470-G486 PolarHBondContact SG-O 3.32Å; C470-C487 VanDerWaalsContact CB-SG 3.6Å | ||
| 471 | V | 85 | Confident | 78.7 | Confident | 130 Ų | 130 | 68.4 Ų | 68.4 | 79% | 0.788 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -113.8 | -34.6 | 167.2 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | D475 | V471-D475 PolarHBondContact N-OD2 2.82Š|
| 472 | L | 84.6 | Confident | 79 | Confident | 107 Ų | 107 | 65.3 Ų | 65.3 | 56% | 0.56 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -128 | 154.9 | 177.6 | -61.6 | 173.3 | 0 | 0 | 0 | 110 | S474 D475 | L472-S474 VanDerWaalsContact CB-OG 3.24Å; L472-S474 WeakPolarHBondContact CB-OG 3.09Å; L472-S474 PolarHBondContact O-N 2.76Å; L472-S474 VanDerWaalsContact O-N 3.11Å; L472-D475 PolarHBondContact N-OD2 3.34Å; L472-D475 WeakPolarHBondContact O-CB 3.46Å; L472-D475 PolarHBondContact O-N 2.93Å |
| 473 | S | 76.2 | Confident | 79.7 | Confident | 74 Ų | 74 | 64 Ų | 64 | 52% | 0.517 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -65.6 | -11.8 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | D475 C482 | S473-D475 VanDerWaalsContact C-N 3.26Å; S473-C482 PolarHBondContact OG-N 3.13Å |
| 474 | S | 81.7 | Confident | 80 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 66% | 0.657 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -68.5 | -22.3 | 168.7 | 47.4 | 0 | 0 | 0 | 0 | 113.9 | L472 C476 | L472-S474 VanDerWaalsContact CB-OG 3.24Å; L472-S474 WeakPolarHBondContact CB-OG 3.09Å; L472-S474 PolarHBondContact O-N 2.76Å; L472-S474 VanDerWaalsContact O-N 3.11Å; S474-C476 PolarHBondContact O-N 2.83Å |
| 475 | D | 82.3 | Confident | 80.2 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -83.1 | -7.8 | -174.6 | -44.2 | -16.3 | 0 | 0 | 0 | 111.1 | C470 V471 L472 S473 | C470-D475 HydrophobicContact CB-CB 4.01Å; V471-D475 PolarHBondContact N-OD2 2.82Å; L472-D475 PolarHBondContact N-OD2 3.34Å; L472-D475 WeakPolarHBondContact O-CB 3.46Å; L472-D475 PolarHBondContact O-N 2.93Å; S473-D475 VanDerWaalsContact C-N 3.26Å |
| 476 | C | 80.2 | Confident | 80.5 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 12% | 0.122 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -96.7 | 142.3 | -176 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | S474 F480 C487 | S474-C476 PolarHBondContact O-N 2.83Å; C476-F480 HydrophobicContact CB-CB 3.94Å; C476-C487 WeakPolarHBondContact CA-SG 3.39Å; C476-C487 HydrophobicContact CB-CB 3.79Å; C476-C487 WeakPolarHBondContact CB-SG 3.24Å; C476-C487 WeakPolarHBondContact SG-CA 3.46Å; C476-C487 WeakPolarHBondContact SG-CB 2.97Å; C476-C487 CovalentContact SG-SG 2.04Å; C476-C487 PolarHBondContact SG-SG 3.4Å |
| 477 | P | 77.4 | Confident | 80.7 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 44% | 0.442 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 157.4 | 174.3 | 28 | -33.5 | 0 | 0 | 0 | 111.6 | G479 F480 | P477-G479 PolarHBondContact O-N 3.23Å; P477-F480 HydrophobicContact CG-CD2 3.81Å; P477-F480 HydrophobicContact CG-CE2 4.32Å; P477-F480 HydrophobicContact CG-CG 4.31Å; P477-F480 WeakPolarHBondContact O-CB 3.33Å; P477-F480 PolarHBondContact O-N 3.2Å |
| 478 | S | 73.5 | Confident | 81.1 | Confident | 127 Ų | 127 | 57.2 Ų | 57.2 | 89% | 0.888 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 123.4 | -177.6 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 479 | G | 69 | Low | 81.1 | Confident | 23 Ų | 23 | 58.6 Ų | 58.6 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -2.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P477 I490 | P477-G479 PolarHBondContact O-N 3.23Å; G479-I490 WeakPolarHBondContact O-CG1 3.42Å; G479-I490 PolarHBondContact O-N 3.42Å |
| 480 | F | 81.9 | Confident | 80.6 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 150.4 | 175.6 | -63.9 | -103.8 | 0 | 0 | 0 | 111.5 | A467 C476 P477 C487 C488 P489 | A467-F480 HydrophobicContact CB-CD1 4.01Å; A467-F480 HydrophobicContact CB-CE1 3.57Å; A467-F480 HydrophobicContact CB-CZ 4.07Å; C476-F480 HydrophobicContact CB-CB 3.94Å; P477-F480 HydrophobicContact CG-CD2 3.81Å; P477-F480 HydrophobicContact CG-CE2 4.32Å; P477-F480 HydrophobicContact CG-CG 4.31Å; P477-F480 WeakPolarHBondContact O-CB 3.33Å; P477-F480 PolarHBondContact O-N 3.2Å; F480-C487 HydrophobicContact CB-CB 4.11Å; F480-C487 HydrophobicContact CD1-CB 4.5Å; F480-C487 WeakPolarHBondContact CD1-O 3.04Å; F480-C488 CarbonylContact C-O 3.52Å; F480-C488 VanDerWaalsContact CA-O 3.24Å; F480-C488 WeakPolarHBondContact CA-O 3.29Å; F480-P489 HydrophobicContact CD1-CB 4.21Å; F480-P489 HydrophobicContact CE1-CB 4.01Å; F480-P489 HydrophobicContact CE1-CG 4.49Å |
| 481 | Q | 85.4 | Confident | 79.9 | Confident | 66 Ų | 66 | 61 Ų | 61 | 31% | 0.308 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 154.3 | 173.1 | 63.5 | 179 | 23.8 | 0 | 0 | 110.1 | E483 C487 C488 I490 | Q481-E483 PolarHBondContact NE2-OE2 2.04Å; Q481-E483 PolarHBondContact O-N 3.16Å; Q481-C487 WeakPolarHBondContact O-CA 3.27Å; Q481-C488 PolarHBondContact N-O 3.36Å; Q481-C488 PolarHBondContact O-N 3.3Å; Q481-I490 HydrophobicContact CB-CG1 3.94Å; Q481-I490 HydrophobicContact CG-CG1 4.15Å |
| 482 | C | 84.8 | Confident | 79.2 | Confident | 32 Ų | 32 | 57 Ų | 57 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 118.6 | 174.6 | -167.8 | 0 | 0 | 0 | 0 | 111 | C470 S473 | C470-C482 HydrophobicContact CB-CB 3.81Å; C470-C482 WeakPolarHBondContact CB-SG 3.38Å; C470-C482 WeakPolarHBondContact SG-CA 3.37Å; C470-C482 WeakPolarHBondContact SG-CB 3.45Å; C470-C482 CovalentContact SG-SG 2.03Å; C470-C482 PolarHBondContact SG-SG 3.05Å; S473-C482 PolarHBondContact OG-N 3.13Å |
| 483 | E | 83.4 | Confident | 78.8 | Confident | 35 Ų | 35 | 52 Ų | 52 | 16% | 0.164 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 126.4 | -177.3 | -168 | -174.4 | 134.6 | 0 | 0 | 109.4 | S461 Q481 G485 G486 C488 | S461-E483 WeakPolarHBondContact CB-OE1 3.35Å; S461-E483 PolarHBondContact N-OE1 2.85Å; S461-E483 PolarHBondContact OG-OE1 3.3Å; Q481-E483 PolarHBondContact NE2-OE2 2.04Å; Q481-E483 PolarHBondContact O-N 3.16Å; E483-G485 PolarHBondContact O-N 2.82Å; E483-G486 PolarHBondContact N-O 2.91Å; E483-G486 PolarHBondContact O-N 2.04Å; E483-C488 HydrophobicContact CB-CB 4.02Å |
| 484 | N | 80.4 | Confident | 78.8 | Confident | 124 Ų | 124 | 54 Ų | 54 | 66% | 0.663 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 26.9 | -175.1 | -54.5 | -43.6 | 0 | 0 | 0 | 114.7 | G486 | N484-G486 VanDerWaalsContact C-N 3.34Š|
| 485 | G | 80.8 | Confident | 78.6 | Confident | 31 Ų | 31 | 49.9 Ų | 49.9 | 32% | 0.32 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 7.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L469 C470 E483 | L469-G485 WeakPolarHBondContact CA-O 3.29Å; C470-G485 PolarHBondContact N-O 2.93Å; C470-G485 VanDerWaalsContact SG-C 3.5Å; E483-G485 PolarHBondContact O-N 2.82Å |
| 486 | G | 81.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S468 C470 E483 N484 C488 | S468-G486 CarbonylContact O-C 3.57Å; S468-G486 VanDerWaalsContact O-CA 3.31Å; S468-G486 WeakPolarHBondContact O-CA 3.41Å; C470-G486 PolarHBondContact SG-O 3.32Å; E483-G486 PolarHBondContact N-O 2.91Å; E483-G486 PolarHBondContact O-N 2.04Å; N484-G486 VanDerWaalsContact C-N 3.34Å; G486-C488 PolarHBondContact O-N 2.84Å |
| 487 | C | 85.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 105.7 | 171.5 | -68.1 | 0 | 0 | 0 | 0 | 110.2 | A466 A467 S468 C470 C476 F480 Q481 | A466-C487 WeakPolarHBondContact CA-O 3.38Å; A466-C487 WeakPolarHBondContact CB-O 3.06Å; A467-C487 PolarHBondContact N-O 2.98Å; S468-C487 PolarHBondContact O-N 3.49Å; S468-C487 WeakPolarHBondContact OG-CB 3.31Å; S468-C487 PolarHBondContact OG-SG 2.97Å; C470-C487 VanDerWaalsContact CB-SG 3.6Å; C476-C487 WeakPolarHBondContact CA-SG 3.39Å; C476-C487 HydrophobicContact CB-CB 3.79Å; C476-C487 WeakPolarHBondContact CB-SG 3.24Å; C476-C487 WeakPolarHBondContact SG-CA 3.46Å; C476-C487 WeakPolarHBondContact SG-CB 2.97Å; C476-C487 CovalentContact SG-SG 2.04Å; C476-C487 PolarHBondContact SG-SG 3.4Å; F480-C487 HydrophobicContact CB-CB 4.11Å; F480-C487 HydrophobicContact CD1-CB 4.5Å; F480-C487 WeakPolarHBondContact CD1-O 3.04Å; Q481-C487 WeakPolarHBondContact O-CA 3.27Å |
| 488 | C | 84.3 | Confident | 77.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.1 | -176 | -71.9 | 0 | 0 | 0 | 0 | 111 | C460 F480 Q481 E483 G486 I490 | C460-C488 WeakPolarHBondContact CA-SG 3.38Å; C460-C488 HydrophobicContact CB-CB 3.72Å; C460-C488 WeakPolarHBondContact CB-SG 3.23Å; C460-C488 WeakPolarHBondContact SG-CA 3.31Å; C460-C488 WeakPolarHBondContact SG-CB 3.39Å; C460-C488 CovalentContact SG-SG 2.03Å; C460-C488 PolarHBondContact SG-SG 3.17Å; F480-C488 CarbonylContact C-O 3.52Å; F480-C488 VanDerWaalsContact CA-O 3.24Å; F480-C488 WeakPolarHBondContact CA-O 3.29Å; Q481-C488 PolarHBondContact N-O 3.36Å; Q481-C488 PolarHBondContact O-N 3.3Å; E483-C488 HydrophobicContact CB-CB 4.02Å; G486-C488 PolarHBondContact O-N 2.84Å; C488-I490 PolarHBondContact O-N 2.88Å |
| 489 | P | 77.9 | Confident | 77.4 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 130.9 | -177.8 | 26.3 | -33.9 | 0 | 0 | 0 | 110.1 | F480 P491 | F480-P489 HydrophobicContact CD1-CB 4.21Å; F480-P489 HydrophobicContact CE1-CB 4.01Å; F480-P489 HydrophobicContact CE1-CG 4.49Å; P489-P491 WeakPolarHBondContact O-CD 3.38Å |
| 490 | I | 73.8 | Confident | 77.8 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | trans | -63 | 125.3 | -179.7 | -64.3 | 168.8 | 0 | 0 | 0 | 108.4 | G479 Q481 C488 L492 | G479-I490 WeakPolarHBondContact O-CG1 3.42Å; G479-I490 PolarHBondContact O-N 3.42Å; Q481-I490 HydrophobicContact CB-CG1 3.94Å; Q481-I490 HydrophobicContact CG-CG1 4.15Å; C488-I490 PolarHBondContact O-N 2.88Å; I490-L492 PolarHBondContact O-N 3.47Å | ||
| 491 | P | 67.4 | Low | 77.6 | Confident | 72 Ų | 72 | 52 Ų | 52 | 47% | 0.468 | 30% | 0.301 | S | S | . | . | trans | -61.2 | 109.8 | -179.4 | -25.6 | 35.6 | 0 | 0 | 0 | 111.7 | P489 Q524 | P489-P491 WeakPolarHBondContact O-CD 3.38Å; P491-Q524 PolarHBondContact O-NE2 2.03Å | ||
| 492 | L | 70.3 | Confident | 77.4 | Confident | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 140.1 | -179 | -65.5 | 175.9 | 0 | 0 | 0 | 111.1 | I490 Q500 A501 G503 P504 | I490-L492 PolarHBondContact O-N 3.47Å; L492-Q500 HydrophobicContact CB-CG 4.48Å; L492-A501 HydrophobicContact CB-CB 4.34Å; L492-A501 VanDerWaalsContact CD1-O 3.31Å; L492-A501 WeakPolarHBondContact CD1-O 3.45Å; L492-G503 VanDerWaalsContact CD2-C 3.47Å; L492-P504 HydrophobicContact CD2-CB 4.34Å |
| 493 | P | 76.1 | Confident | 77 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -67 | 151.8 | 179.7 | 27.9 | -34.6 | 0 | 0 | 0 | 111.9 | A501 Y518 N520 Q524 | P493-A501 HydrophobicContact CG-CB 4.1Å; P493-A501 WeakPolarHBondContact O-CB 3.35Å; P493-A501 PolarHBondContact O-N 2.98Å; P493-Y518 HydrophobicContact CB-CD1 4.47Å; P493-N520 HydrophobicContact CB-CB 4.09Å; P493-Q524 HydrophobicContact CB-CB 4.24Å; P493-Q524 HydrophobicContact CG-CB 4.47Å |
| 494 | L | 77.8 | Confident | 76.8 | Confident | 116 Ų | 116 | 54.5 Ų | 54.5 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | B | Isolated β-bridge | trans | -69.6 | 132.2 | 156.3 | -108.3 | 72.4 | 0 | 0 | 0 | 108.9 | Y518 | L494-Y518 WeakPolarHBondContact O-CE1 3.45Å |
| 495 | C | 77.6 | Confident | 76.7 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 159.5 | 173.7 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | T497 G498 Q499 C528 | C495-T497 PolarHBondContact O-N 2.86Å; C495-G498 PolarHBondContact O-N 3.11Å; C495-Q499 VanDerWaalsContact CB-O 3.28Å; C495-Q499 WeakPolarHBondContact CB-O 3.02Å; C495-Q499 PolarHBondContact N-O 2.02Å; C495-Q499 PolarHBondContact SG-O 2.86Å; C495-C528 WeakPolarHBondContact CA-SG 3.27Å; C495-C528 HydrophobicContact CB-CB 3.73Å; C495-C528 WeakPolarHBondContact CB-SG 3.43Å; C495-C528 WeakPolarHBondContact SG-CA 3.39Å; C495-C528 WeakPolarHBondContact SG-CB 3.04Å; C495-C528 CovalentContact SG-SG 2.03Å; C495-C528 PolarHBondContact SG-SG 3.36Å |
| 496 | P | 72.4 | Confident | 76.6 | Confident | 54 Ų | 54 | 52.7 Ų | 52.7 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.4 | 174.2 | -26.3 | 36 | 0 | 0 | 0 | 114 | G498 Y518 L542 | P496-G498 PolarHBondContact O-N 2.91Å; P496-Y518 HydrophobicContact CG-CD2 4Å; P496-Y518 HydrophobicContact CG-CE1 4.25Å; P496-Y518 HydrophobicContact CG-CE2 3.62Å; P496-Y518 HydrophobicContact CG-CG 4.49Å; P496-L542 HydrophobicContact CG-CD2 4.21Å |
| 497 | T | 69.1 | Low | 76.1 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 36% | 0.356 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -0.2 | 175.7 | 55.1 | 0 | 0 | 0 | 0 | 114.4 | C495 Q499 P531 | C495-T497 PolarHBondContact O-N 2.86Å; T497-Q499 PolarHBondContact O-N 2.59Å; T497-P531 HydrophobicContact CG2-CG 4.15Å |
| 498 | G | 70.2 | Confident | 75.2 | Confident | 54 Ų | 54 | 61 Ų | 61 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | S | Bend | trans | 77.9 | -4.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | C495 P496 | C495-G498 PolarHBondContact O-N 3.11Å; P496-G498 PolarHBondContact O-N 2.91Å |
| 499 | Q | 76.2 | Confident | 74.5 | Confident | 121 Ų | 121 | 64.6 Ų | 64.6 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -80 | 155 | 172.4 | -62.5 | -167.9 | 0.4 | 0 | 0 | 111.3 | C495 T497 | C495-Q499 VanDerWaalsContact CB-O 3.28Å; C495-Q499 WeakPolarHBondContact CB-O 3.02Å; C495-Q499 PolarHBondContact N-O 2.02Å; C495-Q499 PolarHBondContact SG-O 2.86Å; T497-Q499 PolarHBondContact O-N 2.59Å |
| 500 | Q | 77.4 | Confident | 74.6 | Confident | 133 Ų | 133 | 64 Ų | 64 | 62% | 0.621 | 41% | 0.412 | S | S | * | . | B | Isolated β-bridge | trans | -76.6 | 138.1 | 170.6 | -172.8 | 173.6 | -3.7 | 0 | 0 | 109.6 | L492 | L492-Q500 HydrophobicContact CB-CG 4.48Å |
| 501 | A | 77.6 | Confident | 74.8 | Confident | 5 Ų | 5 | 62 Ų | 62 | 4% | 0.041 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 145.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L492 P493 C527 | L492-A501 HydrophobicContact CB-CB 4.34Å; L492-A501 VanDerWaalsContact CD1-O 3.31Å; L492-A501 WeakPolarHBondContact CD1-O 3.45Å; P493-A501 HydrophobicContact CG-CB 4.1Å; P493-A501 WeakPolarHBondContact O-CB 3.35Å; P493-A501 PolarHBondContact O-N 2.98Å; A501-C527 CarbonylContact C-O 3.5Å; A501-C527 WeakPolarHBondContact CA-O 3.4Å; A501-C527 WeakPolarHBondContact CB-O 3.05Å |
| 502 | T | 81.5 | Confident | 75.3 | Confident | 108 Ų | 108 | 63.6 Ų | 63.6 | 66% | 0.663 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -81 | -16.3 | -171.7 | -46.7 | 0 | 0 | 0 | 0 | 113.3 | L515 C527 | T502-L515 HydrophobicContact CG2-CD2 4.47Å; T502-L515 WeakPolarHBondContact OG1-CD2 3.5Å; T502-C527 PolarHBondContact N-O 2.88Å |
| 503 | G | 74.7 | Confident | 75.4 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 16% | 0.155 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -178.3 | 172.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L492 G526 C527 | L492-G503 VanDerWaalsContact CD2-C 3.47Å; G503-G526 CarbonylContact O-C 3.6Å; G503-G526 VanDerWaalsContact O-CA 3.22Å; G503-G526 WeakPolarHBondContact O-CA 3.04Å; G503-C527 PolarHBondContact O-N 3.22Å |
| 504 | P | 78.8 | Confident | 75 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 42% | 0.416 | 45% | 0.453 | S | S | . | . | trans | -69.8 | 161 | 173.9 | 32.4 | -36.6 | 0 | 0 | 0 | 111 | L492 | L492-P504 HydrophobicContact CD2-CB 4.34Š| ||
| 505 | C | 78.9 | Confident | 75 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.074 | 43% | 0.433 | C | S | . | . | trans | -138.5 | 163.2 | 170.3 | 63.7 | 0 | 0 | 0 | 0 | 110.5 | S510 C517 Q525 G526 | C505-S510 WeakPolarHBondContact CB-OG 3.2Å; C505-C517 HydrophobicContact CB-CB 3.66Å; C505-C517 WeakPolarHBondContact CB-SG 3.47Å; C505-C517 WeakPolarHBondContact SG-CA 3.31Å; C505-C517 WeakPolarHBondContact SG-CB 3.49Å; C505-C517 CovalentContact SG-SG 2.03Å; C505-C517 PolarHBondContact SG-SG 3.13Å; C505-Q525 WeakPolarHBondContact O-CB 3.05Å; C505-Q525 PolarHBondContact O-OE1 3.32Å; C505-Q525 VanDerWaalsContact O-OE1 3.11Å; C505-G526 PolarHBondContact SG-N 3.03Å | ||
| 506 | S | 79.1 | Confident | 75.2 | Confident | 106 Ų | 106 | 65.1 Ų | 65.1 | 74% | 0.741 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -124.3 | -20.7 | -177.1 | -47.4 | 0 | 0 | 0 | 0 | 113.2 | S510 | S506-S510 PolarHBondContact N-OG 2.86Š|
| 507 | A | 71.3 | Confident | 75.7 | Confident | 45 Ų | 45 | 64 Ų | 64 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -161.3 | 159.8 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | G509 S510 C517 | A507-G509 PolarHBondContact O-N 3.1Å; A507-S510 PolarHBondContact N-OG 3.03Å; A507-S510 WeakPolarHBondContact O-CB 3.37Å; A507-S510 PolarHBondContact O-N 2.84Å; A507-S510 PolarHBondContact O-OG 2.83Å; A507-S510 VanDerWaalsContact O-OG 3.07Å; A507-C517 WeakPolarHBondContact O-CB 3.49Å |
| 508 | P | 67.9 | Low | 76.3 | Confident | 128 Ų | 128 | 64.3 Ų | 64.3 | 83% | 0.831 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 128 | 163.2 | -23.7 | 34.7 | 0 | 0 | 0 | 110.6 | ||
| 509 | G | 68.1 | Low | 76.8 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 79% | 0.794 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -3.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | A507 C511 | A507-G509 PolarHBondContact O-N 3.1Å; G509-C511 PolarHBondContact O-N 2.89Å |
| 510 | S | 79.9 | Confident | 76.7 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | trans | -81.1 | 9.9 | 173.9 | 80.1 | 0 | 0 | 0 | 0 | 114.2 | C505 S506 A507 | C505-S510 WeakPolarHBondContact CB-OG 3.2Å; S506-S510 PolarHBondContact N-OG 2.86Å; A507-S510 PolarHBondContact N-OG 3.03Å; A507-S510 WeakPolarHBondContact O-CB 3.37Å; A507-S510 PolarHBondContact O-N 2.84Å; A507-S510 PolarHBondContact O-OG 2.83Å; A507-S510 VanDerWaalsContact O-OG 3.07Å | ||
| 511 | C | 78.9 | Confident | 76.5 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -110.7 | 153.7 | 178.9 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | G509 L515 C527 | G509-C511 PolarHBondContact O-N 2.89Å; C511-L515 HydrophobicContact CB-CB 3.95Å; C511-C527 VanDerWaalsContact CA-SG 3.52Å; C511-C527 HydrophobicContact CB-CB 3.86Å; C511-C527 WeakPolarHBondContact CB-SG 3.47Å; C511-C527 WeakPolarHBondContact SG-CA 3.46Å; C511-C527 WeakPolarHBondContact SG-CB 3.07Å; C511-C527 CovalentContact SG-SG 2.04Å; C511-C527 PolarHBondContact SG-SG 2.77Å |
| 512 | T | 78.3 | Confident | 76.3 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 64% | 0.644 | 45% | 0.45 | S | S | * | . | trans | -67.1 | 157.8 | 174.1 | 44.7 | 0 | 0 | 0 | 0 | 112 | G514 L515 | T512-G514 PolarHBondContact O-N 3.19Å; T512-L515 PolarHBondContact O-N 2.95Å; T512-L515 WeakPolarHBondContact OG1-CD1 3.29Å | ||
| 513 | A | 70.8 | Confident | 75.9 | Confident | 106 Ų | 106 | 62 Ų | 62 | 88% | 0.876 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 133.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 514 | G | 68.8 | Low | 75.9 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 26% | 0.258 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | -6.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T512 I530 | T512-G514 PolarHBondContact O-N 3.19Å; G514-I530 WeakPolarHBondContact O-CG1 3.45Å; G514-I530 PolarHBondContact O-N 2.8Å |
| 515 | L | 78.1 | Confident | 76 | Confident | 36 Ų | 36 | 65.5 Ų | 65.5 | 19% | 0.188 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 152.6 | 174.1 | -62.4 | 100.4 | 0 | 0 | 0 | 112.5 | T502 C511 T512 C527 C528 | T502-L515 HydrophobicContact CG2-CD2 4.47Å; T502-L515 WeakPolarHBondContact OG1-CD2 3.5Å; C511-L515 HydrophobicContact CB-CB 3.95Å; T512-L515 PolarHBondContact O-N 2.95Å; T512-L515 WeakPolarHBondContact OG1-CD1 3.29Å; L515-C527 HydrophobicContact CB-CB 4.26Å; L515-C527 HydrophobicContact CD2-CB 4.02Å; L515-C528 CarbonylContact C-O 3.54Å; L515-C528 WeakPolarHBondContact CA-O 3.41Å; L515-C528 WeakPolarHBondContact CB-O 3.43Å |
| 516 | F | 80.8 | Confident | 76.1 | Confident | 38 Ų | 38 | 65 Ų | 65 | 17% | 0.167 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 153.9 | 176 | 75.4 | -81.5 | 0 | 0 | 0 | 110.7 | Y518 C527 C528 I530 L542 | F516-Y518 HydrophobicContact CE2-CD2 4.01Å; F516-Y518 HydrophobicContact CE2-CG 4.16Å; F516-Y518 HydrophobicContact CZ-CD2 4.43Å; F516-Y518 HydrophobicContact CZ-CG 4.45Å; F516-Y518 PolarHBondContact O-N 3.45Å; F516-C527 CarbonylContact O-C 3.58Å; F516-C527 WeakPolarHBondContact O-CA 3.18Å; F516-C528 HydrophobicContact CD1-CB 4.03Å; F516-C528 WeakPolarHBondContact CD1-O 3.34Å; F516-C528 HydrophobicContact CE1-CB 3.37Å; F516-C528 HydrophobicContact CE2-CB 4.26Å; F516-C528 HydrophobicContact CZ-CB 3.5Å; F516-C528 VanDerWaalsContact CZ-CB 3.5Å; F516-C528 PolarHBondContact N-O 3.21Å; F516-C528 PolarHBondContact O-N 2.93Å; F516-I530 HydrophobicContact CB-CG1 4.28Å; F516-I530 HydrophobicContact CD1-CG1 4.05Å; F516-L542 HydrophobicContact CD1-CD1 3.8Å; F516-L542 HydrophobicContact CD2-CD1 3.53Å; F516-L542 HydrophobicContact CE1-CD1 3.66Å; F516-L542 HydrophobicContact CE1-CD2 3.85Å; F516-L542 HydrophobicContact CE1-CG 4.26Å; F516-L542 HydrophobicContact CE2-CD1 3.37Å; F516-L542 HydrophobicContact CE2-CD2 3.97Å; F516-L542 HydrophobicContact CE2-CG 4.32Å; F516-L542 HydrophobicContact CG-CD1 3.75Å; F516-L542 HydrophobicContact CZ-CD1 3.45Å; F516-L542 VanDerWaalsContact CZ-CD1 3.45Å; F516-L542 HydrophobicContact CZ-CD2 3.38Å; F516-L542 HydrophobicContact CZ-CG 4.03Å |
| 517 | C | 82.9 | Confident | 76.5 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 111.2 | 176.3 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | C505 A507 | C505-C517 HydrophobicContact CB-CB 3.66Å; C505-C517 WeakPolarHBondContact CB-SG 3.47Å; C505-C517 WeakPolarHBondContact SG-CA 3.31Å; C505-C517 WeakPolarHBondContact SG-CB 3.49Å; C505-C517 CovalentContact SG-SG 2.03Å; C505-C517 PolarHBondContact SG-SG 3.13Å; A507-C517 WeakPolarHBondContact O-CB 3.49Å |
| 518 | Y | 82.9 | Confident | 77 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 25% | 0.251 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137.8 | 176.9 | -179.1 | -122.8 | 0 | 0 | 0 | 111 | P493 L494 P496 F516 N520 Q525 G526 C528 | P493-Y518 HydrophobicContact CB-CD1 4.47Å; L494-Y518 WeakPolarHBondContact O-CE1 3.45Å; P496-Y518 HydrophobicContact CG-CD2 4Å; P496-Y518 HydrophobicContact CG-CE1 4.25Å; P496-Y518 HydrophobicContact CG-CE2 3.62Å; P496-Y518 HydrophobicContact CG-CG 4.49Å; F516-Y518 HydrophobicContact CE2-CD2 4.01Å; F516-Y518 HydrophobicContact CE2-CG 4.16Å; F516-Y518 HydrophobicContact CZ-CD2 4.43Å; F516-Y518 HydrophobicContact CZ-CG 4.45Å; F516-Y518 PolarHBondContact O-N 3.45Å; Y518-N520 HydrophobicContact CD1-CB 4.48Å; Y518-N520 HydrophobicContact CE1-CB 3.74Å; Y518-Q525 CarbonylContact O-C 3.58Å; Y518-Q525 VanDerWaalsContact O-CA 3.28Å; Y518-Q525 WeakPolarHBondContact O-CA 3.42Å; Y518-G526 PolarHBondContact N-O 2.97Å; Y518-G526 PolarHBondContact O-N 2.04Å; Y518-C528 VanDerWaalsContact CB-SG 3.57Å |
| 519 | L | 80.8 | Confident | 77.6 | Confident | 99 Ų | 99 | 53.8 Ų | 53.8 | 52% | 0.518 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.6 | 169.1 | -180 | 73.2 | 0 | 0 | 0 | 108.4 | G523 Q524 Q525 | L519-G523 WeakPolarHBondContact CD1-O 3.32Å; L519-Q524 WeakPolarHBondContact CA-O 3.38Å; L519-Q525 HydrophobicContact CD1-CG 3.48Å; L519-Q525 VanDerWaalsContact CD1-CG 3.48Å |
| 520 | N | 72.5 | Confident | 77.9 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | trans | -84 | 168.5 | 174.9 | 81.6 | 0.2 | 0 | 0 | 0 | 112.2 | P493 Y518 A522 G523 Q524 | P493-N520 HydrophobicContact CB-CB 4.09Å; Y518-N520 HydrophobicContact CD1-CB 4.48Å; Y518-N520 HydrophobicContact CE1-CB 3.74Å; N520-A522 PolarHBondContact O-N 3.46Å; N520-A522 WeakPolarHBondContact OD1-CA 3.46Å; N520-A522 WeakPolarHBondContact OD1-CB 3.34Å; N520-A522 PolarHBondContact OD1-N 3.15Å; N520-G523 PolarHBondContact O-N 3.19Å; N520-G523 PolarHBondContact OD1-N 3.3Å; N520-G523 VanDerWaalsContact OD1-N 3.16Å; N520-Q524 PolarHBondContact N-O 3.42Å; N520-Q524 PolarHBondContact ND2-OE1 2.79Å; N520-Q524 WeakPolarHBondContact OD1-CB 3.28Å; N520-Q524 PolarHBondContact OD1-N 2.74Å | ||
| 521 | A | 73.6 | Confident | 77.5 | Confident | 115 Ų | 115 | 49.8 Ų | 49.8 | 95% | 0.95 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 522 | A | 73.1 | Confident | 77.4 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N520 | N520-A522 PolarHBondContact O-N 3.46Å; N520-A522 WeakPolarHBondContact OD1-CA 3.46Å; N520-A522 WeakPolarHBondContact OD1-CB 3.34Å; N520-A522 PolarHBondContact OD1-N 3.15Å |
| 523 | G | 73.3 | Confident | 77.4 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 54% | 0.536 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 84 | 4.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L519 N520 | L519-G523 WeakPolarHBondContact CD1-O 3.32Å; N520-G523 PolarHBondContact O-N 3.19Å; N520-G523 PolarHBondContact OD1-N 3.3Å; N520-G523 VanDerWaalsContact OD1-N 3.16Å |
| 524 | Q | 75.3 | Confident | 77.6 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | trans | -82.3 | 131.5 | -179.2 | -58.1 | 168.5 | -79.8 | 0 | 0 | 110.7 | P491 P493 L519 N520 | P491-Q524 PolarHBondContact O-NE2 2.03Å; P493-Q524 HydrophobicContact CB-CB 4.24Å; P493-Q524 HydrophobicContact CG-CB 4.47Å; L519-Q524 WeakPolarHBondContact CA-O 3.38Å; N520-Q524 PolarHBondContact N-O 3.42Å; N520-Q524 PolarHBondContact ND2-OE1 2.79Å; N520-Q524 WeakPolarHBondContact OD1-CB 3.28Å; N520-Q524 PolarHBondContact OD1-N 2.74Å | ||
| 525 | Q | 80.3 | Confident | 77.8 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.383 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.7 | 179 | -68.3 | -173.4 | 12.1 | 0 | 0 | 111.8 | C505 Y518 L519 | C505-Q525 WeakPolarHBondContact O-CB 3.05Å; C505-Q525 PolarHBondContact O-OE1 3.32Å; C505-Q525 VanDerWaalsContact O-OE1 3.11Å; Y518-Q525 CarbonylContact O-C 3.58Å; Y518-Q525 VanDerWaalsContact O-CA 3.28Å; Y518-Q525 WeakPolarHBondContact O-CA 3.42Å; L519-Q525 HydrophobicContact CD1-CG 3.48Å; L519-Q525 VanDerWaalsContact CD1-CG 3.48Å |
| 526 | G | 82.1 | Confident | 77.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 150.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G503 C505 Y518 C528 | G503-G526 CarbonylContact O-C 3.6Å; G503-G526 VanDerWaalsContact O-CA 3.22Å; G503-G526 WeakPolarHBondContact O-CA 3.04Å; C505-G526 PolarHBondContact SG-N 3.03Å; Y518-G526 PolarHBondContact N-O 2.97Å; Y518-G526 PolarHBondContact O-N 2.04Å; G526-C528 PolarHBondContact O-N 3.43Å |
| 527 | C | 86 | Confident | 77.1 | Confident | 12 Ų | 12 | 55.1 Ų | 55.1 | 8% | 0.081 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 111.2 | 174.4 | -67.5 | 0 | 0 | 0 | 0 | 110.9 | A501 T502 G503 C511 L515 F516 | A501-C527 CarbonylContact C-O 3.5Å; A501-C527 WeakPolarHBondContact CA-O 3.4Å; A501-C527 WeakPolarHBondContact CB-O 3.05Å; T502-C527 PolarHBondContact N-O 2.88Å; G503-C527 PolarHBondContact O-N 3.22Å; C511-C527 VanDerWaalsContact CA-SG 3.52Å; C511-C527 HydrophobicContact CB-CB 3.86Å; C511-C527 WeakPolarHBondContact CB-SG 3.47Å; C511-C527 WeakPolarHBondContact SG-CA 3.46Å; C511-C527 WeakPolarHBondContact SG-CB 3.07Å; C511-C527 CovalentContact SG-SG 2.04Å; C511-C527 PolarHBondContact SG-SG 2.77Å; L515-C527 HydrophobicContact CB-CB 4.26Å; L515-C527 HydrophobicContact CD2-CB 4.02Å; F516-C527 CarbonylContact O-C 3.58Å; F516-C527 WeakPolarHBondContact O-CA 3.18Å |
| 528 | C | 83.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 144 | 178.3 | -76.2 | 0 | 0 | 0 | 0 | 111 | C495 L515 F516 Y518 G526 | C495-C528 WeakPolarHBondContact CA-SG 3.27Å; C495-C528 HydrophobicContact CB-CB 3.73Å; C495-C528 WeakPolarHBondContact CB-SG 3.43Å; C495-C528 WeakPolarHBondContact SG-CA 3.39Å; C495-C528 WeakPolarHBondContact SG-CB 3.04Å; C495-C528 CovalentContact SG-SG 2.03Å; C495-C528 PolarHBondContact SG-SG 3.36Å; L515-C528 CarbonylContact C-O 3.54Å; L515-C528 WeakPolarHBondContact CA-O 3.41Å; L515-C528 WeakPolarHBondContact CB-O 3.43Å; F516-C528 HydrophobicContact CD1-CB 4.03Å; F516-C528 WeakPolarHBondContact CD1-O 3.34Å; F516-C528 HydrophobicContact CE1-CB 3.37Å; F516-C528 HydrophobicContact CE2-CB 4.26Å; F516-C528 HydrophobicContact CZ-CB 3.5Å; F516-C528 VanDerWaalsContact CZ-CB 3.5Å; F516-C528 PolarHBondContact N-O 3.21Å; F516-C528 PolarHBondContact O-N 2.93Å; Y518-C528 VanDerWaalsContact CB-SG 3.57Å; G526-C528 PolarHBondContact O-N 3.43Å |
| 529 | P | 80.5 | Confident | 76.3 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 21% | 0.208 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 136.3 | 176.5 | 27.2 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 530 | I | 74.6 | Confident | 75.9 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 129.9 | 174.1 | -62.5 | 170.2 | 0 | 0 | 0 | 108.1 | G514 F516 V532 F538 S539 | G514-I530 WeakPolarHBondContact O-CG1 3.45Å; G514-I530 PolarHBondContact O-N 2.8Å; F516-I530 HydrophobicContact CB-CG1 4.28Å; F516-I530 HydrophobicContact CD1-CG1 4.05Å; I530-V532 PolarHBondContact O-N 3.37Å; I530-F538 HydrophobicContact CB-CD1 4.35Å; I530-F538 HydrophobicContact CG2-CB 4.12Å; I530-F538 HydrophobicContact CG2-CD1 4.46Å; I530-S539 WeakPolarHBondContact CG2-O 3.19Å; I530-S539 WeakPolarHBondContact CG2-OG 3.07Å |
| 531 | P | 71 | Confident | 76.1 | Confident | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -53 | 131.5 | 177.2 | -27.5 | 34.6 | 0 | 0 | 0 | 112.3 | T497 S539 | T497-P531 HydrophobicContact CG2-CG 4.15Å; P531-S539 WeakPolarHBondContact O-CB 3.5Å; P531-S539 PolarHBondContact O-N 2.92Å; P531-S539 PolarHBondContact O-OG 2.03Å |
| 532 | V | 77.2 | Confident | 76.2 | Confident | 82 Ų | 82 | 56.6 Ų | 56.6 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | B | Isolated β-bridge | trans | -93 | 127.6 | 174 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | I530 F538 | I530-V532 PolarHBondContact O-N 3.37Å; V532-F538 HydrophobicContact CG2-CD1 4.08Å; V532-F538 HydrophobicContact CG2-CE1 4.16Å |
| 533 | C | 77.5 | Confident | 76.4 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 158.7 | -178.7 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | N535 G536 Q537 C561 | C533-N535 VanDerWaalsContact CB-OD1 3.31Å; C533-N535 WeakPolarHBondContact CB-OD1 3.43Å; C533-N535 PolarHBondContact O-N 3.27Å; C533-G536 PolarHBondContact O-N 3.42Å; C533-Q537 VanDerWaalsContact CB-O 3.31Å; C533-Q537 WeakPolarHBondContact CB-O 3.39Å; C533-Q537 PolarHBondContact N-O 3.49Å; C533-C561 WeakPolarHBondContact CA-SG 3.02Å; C533-C561 HydrophobicContact CB-CB 3.68Å; C533-C561 WeakPolarHBondContact CB-SG 3.24Å; C533-C561 WeakPolarHBondContact SG-CA 3.04Å; C533-C561 WeakPolarHBondContact SG-CB 3.17Å; C533-C561 CovalentContact SG-SG 2.03Å; C533-C561 PolarHBondContact SG-SG 2.82Å |
| 534 | P | 75.5 | Confident | 76.7 | Confident | 105 Ų | 105 | 55 Ų | 55 | 68% | 0.682 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.1 | -178.6 | -26 | 35.5 | 0 | 0 | 0 | 115.3 | I556 | P534-I556 HydrophobicContact CG-CD1 4.3Å; P534-I556 HydrophobicContact CG-CG2 3.97Å |
| 535 | N | 71.9 | Confident | 76.7 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3.9 | 175.7 | 71.5 | -12.1 | 0 | 0 | 0 | 114.2 | C533 Q537 | C533-N535 VanDerWaalsContact CB-OD1 3.31Å; C533-N535 WeakPolarHBondContact CB-OD1 3.43Å; C533-N535 PolarHBondContact O-N 3.27Å; N535-Q537 PolarHBondContact ND2-OE1 2.65Å; N535-Q537 WeakPolarHBondContact OD1-CB 3.17Å; N535-Q537 PolarHBondContact OD1-N 3.04Å; N535-Q537 VanDerWaalsContact OD1-N 3.11Å |
| 536 | G | 70.8 | Confident | 76.5 | Confident | 58 Ų | 58 | 58 Ų | 58 | 60% | 0.598 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 85.7 | -0.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | C533 | C533-G536 PolarHBondContact O-N 3.42Š|
| 537 | Q | 74.8 | Confident | 76.1 | Confident | 108 Ų | 108 | 62.2 Ų | 62.2 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 152.1 | 173.9 | -62 | -175.4 | -72.9 | 0 | 0 | 111.6 | C533 N535 | C533-Q537 VanDerWaalsContact CB-O 3.31Å; C533-Q537 WeakPolarHBondContact CB-O 3.39Å; C533-Q537 PolarHBondContact N-O 3.49Å; N535-Q537 PolarHBondContact ND2-OE1 2.65Å; N535-Q537 WeakPolarHBondContact OD1-CB 3.17Å; N535-Q537 PolarHBondContact OD1-N 3.04Å; N535-Q537 VanDerWaalsContact OD1-N 3.11Å |
| 538 | F | 74.4 | Confident | 76 | Confident | 134 Ų | 134 | 66.4 Ų | 66.4 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | B | Isolated β-bridge | trans | -69 | 142.5 | 166.6 | -61.8 | -74 | 0 | 0 | 0 | 110.5 | I530 V532 | I530-F538 HydrophobicContact CB-CD1 4.35Å; I530-F538 HydrophobicContact CG2-CB 4.12Å; I530-F538 HydrophobicContact CG2-CD1 4.46Å; V532-F538 HydrophobicContact CG2-CD1 4.08Å; V532-F538 HydrophobicContact CG2-CE1 4.16Å |
| 539 | S | 73.9 | Confident | 75.8 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 143.2 | 172.9 | 65.3 | 0 | 0 | 0 | 0 | 111.8 | I530 P531 Q541 C560 | I530-S539 WeakPolarHBondContact CG2-O 3.19Å; I530-S539 WeakPolarHBondContact CG2-OG 3.07Å; P531-S539 WeakPolarHBondContact O-CB 3.5Å; P531-S539 PolarHBondContact O-N 2.92Å; P531-S539 PolarHBondContact O-OG 2.03Å; S539-Q541 VanDerWaalsContact C-N 3.32Å; S539-Q541 PolarHBondContact O-N 2.98Å; S539-C560 CarbonylContact C-O 3.49Å; S539-C560 VanDerWaalsContact CA-O 3.3Å; S539-C560 WeakPolarHBondContact CA-O 3.35Å; S539-C560 WeakPolarHBondContact CB-O 3.49Å |
| 540 | L | 72.7 | Confident | 75.7 | Confident | 96 Ų | 96 | 69 Ų | 69 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -59.2 | -41 | -178.3 | 176.8 | 65.8 | 0 | 0 | 0 | 113.1 | P550 Y553 C560 | L540-P550 HydrophobicContact CD2-CG 3.61Å; L540-Y553 HydrophobicContact CB-CD1 4.08Å; L540-Y553 HydrophobicContact CB-CE1 3.81Å; L540-Y553 HydrophobicContact CD2-CD1 4.35Å; L540-Y553 HydrophobicContact CD2-CD2 4.19Å; L540-Y553 HydrophobicContact CD2-CE1 4.08Å; L540-Y553 HydrophobicContact CD2-CE2 3.9Å; L540-Y553 HydrophobicContact CD2-CG 4.43Å; L540-Y553 HydrophobicContact CG-CE1 4.5Å; L540-C560 HydrophobicContact CB-CB 4.31Å; L540-C560 PolarHBondContact N-O 2.04Å |
| 541 | Q | 75.8 | Confident | 75.7 | Confident | 87 Ų | 87 | 71 Ų | 71 | 41% | 0.407 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -159.1 | 171.7 | 178.1 | 61.3 | 177.5 | 33.4 | 0 | 0 | 107.9 | S539 C560 | S539-Q541 VanDerWaalsContact C-N 3.32Å; S539-Q541 PolarHBondContact O-N 2.98Å; Q541-C560 HydrophobicContact CG-CB 4.03Å; Q541-C560 PolarHBondContact O-N 2.8Å |
| 542 | L | 75.4 | Confident | 75.6 | Confident | 44 Ų | 44 | 72.7 Ų | 72.7 | 23% | 0.23 | 46% | 0.462 | C | S | . | . | B | Isolated β-bridge | trans | -76.2 | 159.1 | 167.4 | -67.2 | 99.5 | 0 | 0 | 0 | 111.4 | P496 F516 S558 | P496-L542 HydrophobicContact CG-CD2 4.21Å; F516-L542 HydrophobicContact CD1-CD1 3.8Å; F516-L542 HydrophobicContact CD2-CD1 3.53Å; F516-L542 HydrophobicContact CE1-CD1 3.66Å; F516-L542 HydrophobicContact CE1-CD2 3.85Å; F516-L542 HydrophobicContact CE1-CG 4.26Å; F516-L542 HydrophobicContact CE2-CD1 3.37Å; F516-L542 HydrophobicContact CE2-CD2 3.97Å; F516-L542 HydrophobicContact CE2-CG 4.32Å; F516-L542 HydrophobicContact CG-CD1 3.75Å; F516-L542 HydrophobicContact CZ-CD1 3.45Å; F516-L542 VanDerWaalsContact CZ-CD1 3.45Å; F516-L542 HydrophobicContact CZ-CD2 3.38Å; F516-L542 HydrophobicContact CZ-CG 4.03Å; L542-S558 CarbonylContact C-O 3.56Å; L542-S558 VanDerWaalsContact CA-O 3.24Å; L542-S558 WeakPolarHBondContact CA-O 3.42Å; L542-S558 WeakPolarHBondContact CB-O 3.46Å |
| 543 | C | 78.9 | Confident | 75.8 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 4% | 0.041 | 46% | 0.455 | C | S | . | . | trans | -136 | 141.4 | 176.7 | 52 | 0 | 0 | 0 | 0 | 112.3 | N547 C549 C555 S558 G559 | C543-N547 WeakPolarHBondContact CA-O 3.31Å; C543-C549 VanDerWaalsContact CB-SG 3.52Å; C543-C555 HydrophobicContact CB-CB 3.79Å; C543-C555 WeakPolarHBondContact CB-SG 3.42Å; C543-C555 WeakPolarHBondContact SG-CA 3.01Å; C543-C555 WeakPolarHBondContact SG-CB 3.38Å; C543-C555 CovalentContact SG-SG 2.03Å; C543-C555 PolarHBondContact SG-SG 3.36Å; C543-S558 PolarHBondContact N-O 2.86Å; C543-G559 PolarHBondContact SG-N 3.48Å | ||
| 544 | D | 78.9 | Confident | 76 | Confident | 89 Ų | 89 | 77.7 Ų | 77.7 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | trans | -150.7 | -171.2 | 174.5 | 58.9 | 38.8 | 0 | 0 | 0 | 108.5 | A546 N547 | D544-A546 PolarHBondContact O-N 3.31Å; D544-A546 WeakPolarHBondContact OD1-CA 3.47Å; D544-A546 WeakPolarHBondContact OD1-CB 3.44Å; D544-A546 PolarHBondContact OD1-N 3.3Å; D544-N547 PolarHBondContact N-O 2.77Å; D544-N547 CarbonylContact O-C 3.57Å; D544-N547 PolarHBondContact O-N 3.35Å; D544-N547 WeakPolarHBondContact OD1-CB 3.41Å; D544-N547 PolarHBondContact OD1-N 2.66Å; D544-N547 PolarHBondContact OD1-ND2 3.2Å; D544-N547 PolarHBondContact OD2-ND2 2.87Å | ||
| 545 | S | 75.6 | Confident | 76.4 | Confident | 136 Ų | 136 | 76 Ų | 76 | 95% | 0.951 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -73.5 | -6.8 | 179.6 | 44.8 | 0 | 0 | 0 | 0 | 115 | ||
| 546 | A | 75.1 | Confident | 76.8 | Confident | 80 Ų | 80 | 73.9 Ų | 73.9 | 66% | 0.661 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -101.9 | -27.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D544 P548 | D544-A546 PolarHBondContact O-N 3.31Å; D544-A546 WeakPolarHBondContact OD1-CA 3.47Å; D544-A546 WeakPolarHBondContact OD1-CB 3.44Å; D544-A546 PolarHBondContact OD1-N 3.3Å; A546-P548 VanDerWaalsContact O-CD 3.27Å; A546-P548 WeakPolarHBondContact O-CD 2.97Å |
| 547 | N | 75.2 | Confident | 77 | Confident | 87 Ų | 87 | 76.9 Ų | 76.9 | 47% | 0.465 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -119 | 75.8 | -175.5 | -58.6 | -80.5 | 0 | 0 | 0 | 110.6 | C543 D544 | C543-N547 WeakPolarHBondContact CA-O 3.31Å; D544-N547 PolarHBondContact N-O 2.77Å; D544-N547 CarbonylContact O-C 3.57Å; D544-N547 PolarHBondContact O-N 3.35Å; D544-N547 WeakPolarHBondContact OD1-CB 3.41Å; D544-N547 PolarHBondContact OD1-N 2.66Å; D544-N547 PolarHBondContact OD1-ND2 3.2Å; D544-N547 PolarHBondContact OD2-ND2 2.87Å |
| 548 | P | 83.4 | Confident | 77.1 | Confident | 100 Ų | 100 | 74 Ų | 74 | 65% | 0.649 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 154.4 | 177.4 | 29.6 | -35.6 | 0 | 0 | 0 | 111.9 | A546 | A546-P548 VanDerWaalsContact O-CD 3.27Å; A546-P548 WeakPolarHBondContact O-CD 2.97Å |
| 549 | C | 79.7 | Confident | 77.3 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 147 | 179.4 | -64.4 | 0 | 0 | 0 | 0 | 113.1 | C543 Y553 C560 | C543-C549 VanDerWaalsContact CB-SG 3.52Å; C549-Y553 WeakPolarHBondContact CB-O 3.18Å; C549-C560 WeakPolarHBondContact CA-SG 3.19Å; C549-C560 HydrophobicContact CB-CB 3.87Å; C549-C560 WeakPolarHBondContact CB-SG 3.28Å; C549-C560 WeakPolarHBondContact SG-CA 3.47Å; C549-C560 WeakPolarHBondContact SG-CB 3.42Å; C549-C560 CovalentContact SG-SG 2.04Å; C549-C560 PolarHBondContact SG-SG 2.9Å |
| 550 | P | 78.5 | Confident | 77.8 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 153 | 171.4 | 28.8 | -33.6 | 0 | 0 | 0 | 111.3 | L540 G552 Y553 | L540-P550 HydrophobicContact CD2-CG 3.61Å; P550-G552 PolarHBondContact O-N 3.48Å; P550-Y553 HydrophobicContact CG-CD2 3.97Å; P550-Y553 PolarHBondContact O-N 3Å |
| 551 | G | 73.3 | Confident | 78.3 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 88% | 0.876 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 128.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 552 | G | 69.8 | Low | 78.4 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 45% | 0.454 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103 | -9.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P550 I563 | P550-G552 PolarHBondContact O-N 3.48Å; G552-I563 WeakPolarHBondContact O-CG1 3.48Å; G552-I563 PolarHBondContact O-N 3.01Å |
| 553 | Y | 81.2 | Confident | 78.3 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143 | 175.1 | -62.7 | -103 | 0 | 0 | 0 | 111.2 | L540 C549 P550 C560 C561 P562 | L540-Y553 HydrophobicContact CB-CD1 4.08Å; L540-Y553 HydrophobicContact CB-CE1 3.81Å; L540-Y553 HydrophobicContact CD2-CD1 4.35Å; L540-Y553 HydrophobicContact CD2-CD2 4.19Å; L540-Y553 HydrophobicContact CD2-CE1 4.08Å; L540-Y553 HydrophobicContact CD2-CE2 3.9Å; L540-Y553 HydrophobicContact CD2-CG 4.43Å; L540-Y553 HydrophobicContact CG-CE1 4.5Å; C549-Y553 WeakPolarHBondContact CB-O 3.18Å; P550-Y553 HydrophobicContact CG-CD2 3.97Å; P550-Y553 PolarHBondContact O-N 3Å; Y553-C560 HydrophobicContact CD1-CB 4.43Å; Y553-C561 CarbonylContact C-O 3.56Å; Y553-C561 WeakPolarHBondContact CA-O 3.47Å; Y553-P562 HydrophobicContact CD1-CB 4.2Å; Y553-P562 HydrophobicContact CE1-CB 4Å; Y553-P562 HydrophobicContact CE1-CG 4.47Å |
| 554 | E | 82.3 | Confident | 77.8 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 150.8 | 173.9 | 174.5 | 170.4 | -144.4 | 0 | 0 | 110.1 | I556 C561 I563 | E554-I556 HydrophobicContact CB-CG1 4.44Å; E554-I556 HydrophobicContact CG-CG1 4.11Å; E554-I556 PolarHBondContact O-N 2.95Å; E554-C561 PolarHBondContact N-O 3.02Å; E554-C561 PolarHBondContact O-N 2.99Å; E554-I563 HydrophobicContact CB-CD1 4.15Å; E554-I563 HydrophobicContact CB-CG1 3.68Å |
| 555 | C | 82.1 | Confident | 77.4 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 47% | 0.473 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 98.5 | 180 | -171.4 | 0 | 0 | 0 | 0 | 111 | C543 | C543-C555 HydrophobicContact CB-CB 3.79Å; C543-C555 WeakPolarHBondContact CB-SG 3.42Å; C543-C555 WeakPolarHBondContact SG-CA 3.01Å; C543-C555 WeakPolarHBondContact SG-CB 3.38Å; C543-C555 CovalentContact SG-SG 2.03Å; C543-C555 PolarHBondContact SG-SG 3.36Å |
| 556 | I | 81.2 | Confident | 77.5 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.9 | -179 | -52.5 | -179.7 | 0 | 0 | 0 | 108.4 | P534 E554 S558 G559 C561 | P534-I556 HydrophobicContact CG-CD1 4.3Å; P534-I556 HydrophobicContact CG-CG2 3.97Å; E554-I556 HydrophobicContact CB-CG1 4.44Å; E554-I556 HydrophobicContact CG-CG1 4.11Å; E554-I556 PolarHBondContact O-N 2.95Å; I556-S558 PolarHBondContact O-N 2.86Å; I556-G559 PolarHBondContact N-O 2.92Å; I556-G559 PolarHBondContact O-N 2.79Å; I556-G559 VanDerWaalsContact O-O 3.07Å; I556-C561 HydrophobicContact CB-CB 4.14Å; I556-C561 HydrophobicContact CD1-CB 3.91Å; I556-C561 HydrophobicContact CG1-CB 4.11Å |
| 557 | N | 75.4 | Confident | 77.6 | Confident | 120 Ų | 120 | 59.4 Ų | 59.4 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 41.5 | -178.7 | -57.1 | -31.9 | 0 | 0 | 0 | 113.5 | G559 | N557-G559 PolarHBondContact O-N 3.15Š|
| 558 | S | 76.4 | Confident | 77.9 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 33% | 0.329 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 15.9 | -175.5 | -55.8 | 0 | 0 | 0 | 0 | 115.7 | L542 C543 I556 | L542-S558 CarbonylContact C-O 3.56Å; L542-S558 VanDerWaalsContact CA-O 3.24Å; L542-S558 WeakPolarHBondContact CA-O 3.42Å; L542-S558 WeakPolarHBondContact CB-O 3.46Å; C543-S558 PolarHBondContact N-O 2.86Å; I556-S558 PolarHBondContact O-N 2.86Å |
| 559 | G | 79.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 142.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C543 I556 N557 C561 | C543-G559 PolarHBondContact SG-N 3.48Å; I556-G559 PolarHBondContact N-O 2.92Å; I556-G559 PolarHBondContact O-N 2.79Å; I556-G559 VanDerWaalsContact O-O 3.07Å; N557-G559 PolarHBondContact O-N 3.15Å; G559-C561 PolarHBondContact O-N 2.81Å |
| 560 | C | 84.2 | Confident | 77.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 104.6 | 170 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | S539 L540 Q541 C549 Y553 | S539-C560 CarbonylContact C-O 3.49Å; S539-C560 VanDerWaalsContact CA-O 3.3Å; S539-C560 WeakPolarHBondContact CA-O 3.35Å; S539-C560 WeakPolarHBondContact CB-O 3.49Å; L540-C560 HydrophobicContact CB-CB 4.31Å; L540-C560 PolarHBondContact N-O 2.04Å; Q541-C560 HydrophobicContact CG-CB 4.03Å; Q541-C560 PolarHBondContact O-N 2.8Å; C549-C560 WeakPolarHBondContact CA-SG 3.19Å; C549-C560 HydrophobicContact CB-CB 3.87Å; C549-C560 WeakPolarHBondContact CB-SG 3.28Å; C549-C560 WeakPolarHBondContact SG-CA 3.47Å; C549-C560 WeakPolarHBondContact SG-CB 3.42Å; C549-C560 CovalentContact SG-SG 2.04Å; C549-C560 PolarHBondContact SG-SG 2.9Å; Y553-C560 HydrophobicContact CD1-CB 4.43Å |
| 561 | C | 83.4 | Confident | 77.3 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.014 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 137.3 | -176.8 | -72.6 | 0 | 0 | 0 | 0 | 111.2 | C533 Y553 E554 I556 G559 I563 | C533-C561 WeakPolarHBondContact CA-SG 3.02Å; C533-C561 HydrophobicContact CB-CB 3.68Å; C533-C561 WeakPolarHBondContact CB-SG 3.24Å; C533-C561 WeakPolarHBondContact SG-CA 3.04Å; C533-C561 WeakPolarHBondContact SG-CB 3.17Å; C533-C561 CovalentContact SG-SG 2.03Å; C533-C561 PolarHBondContact SG-SG 2.82Å; Y553-C561 CarbonylContact C-O 3.56Å; Y553-C561 WeakPolarHBondContact CA-O 3.47Å; E554-C561 PolarHBondContact N-O 3.02Å; E554-C561 PolarHBondContact O-N 2.99Å; I556-C561 HydrophobicContact CB-CB 4.14Å; I556-C561 HydrophobicContact CD1-CB 3.91Å; I556-C561 HydrophobicContact CG1-CB 4.11Å; G559-C561 PolarHBondContact O-N 2.81Å; C561-I563 PolarHBondContact O-N 3.44Å |
| 562 | P | 76.7 | Confident | 77.7 | Confident | 34 Ų | 34 | 59.7 Ų | 59.7 | 22% | 0.221 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 128.4 | -179.8 | 26.5 | -32.8 | 0 | 0 | 0 | 109.4 | Y553 | Y553-P562 HydrophobicContact CD1-CB 4.2Å; Y553-P562 HydrophobicContact CE1-CB 4Å; Y553-P562 HydrophobicContact CE1-CG 4.47Å |
| 563 | I | 74.1 | Confident | 78.1 | Confident | 51 Ų | 51 | 64.3 Ų | 64.3 | 26% | 0.262 | 37% | 0.366 | S | S | . | . | trans | -70.2 | 127.8 | -176.1 | -52.6 | 166 | 0 | 0 | 0 | 108.4 | G552 E554 C561 L565 L577 | G552-I563 WeakPolarHBondContact O-CG1 3.48Å; G552-I563 PolarHBondContact O-N 3.01Å; E554-I563 HydrophobicContact CB-CD1 4.15Å; E554-I563 HydrophobicContact CB-CG1 3.68Å; C561-I563 PolarHBondContact O-N 3.44Å; I563-L565 PolarHBondContact O-N 2.99Å; I563-L565 VanDerWaalsContact O-N 3.07Å; I563-L577 HydrophobicContact CB-CD1 3.82Å; I563-L577 HydrophobicContact CD1-CD1 3.77Å; I563-L577 HydrophobicContact CG1-CD1 4.4Å; I563-L577 HydrophobicContact CG2-CD1 3.62Å | ||
| 564 | P | 67.8 | Low | 78 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 66% | 0.662 | 35% | 0.351 | S | S | * | . | trans | -57.8 | 115.7 | -179.5 | -26.5 | 35.6 | 0 | 0 | 0 | 111.9 | ||||
| 565 | L | 71.5 | Confident | 78 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.335 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 127.4 | 177.3 | -70 | 161.9 | 0 | 0 | 0 | 109.4 | I563 A574 L577 | I563-L565 PolarHBondContact O-N 2.99Å; I563-L565 VanDerWaalsContact O-N 3.07Å; L565-A574 WeakPolarHBondContact CB-O 3.1Å; L565-A574 WeakPolarHBondContact CD1-O 3.39Å; L565-L577 HydrophobicContact CD2-CD2 4.46Å; L565-L577 HydrophobicContact CD2-CG 4.2Å |
| 566 | P | 76.8 | Confident | 77.9 | Confident | 31 Ų | 31 | 62 Ų | 62 | 20% | 0.201 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 148.7 | -175.5 | 28.1 | -35.5 | 0 | 0 | 0 | 111.3 | A574 L577 N592 | P566-A574 HydrophobicContact CG-CB 4.13Å; P566-A574 WeakPolarHBondContact O-CB 3.25Å; P566-A574 PolarHBondContact O-N 2.93Å; P566-L577 HydrophobicContact CG-CD2 4.49Å; P566-N592 WeakPolarHBondContact CG-O 3.18Å |
| 567 | T | 78.3 | Confident | 77.9 | Confident | 91 Ų | 91 | 63 Ų | 63 | 56% | 0.558 | 35% | 0.354 | S | S | * | . | B | Isolated β-bridge | trans | -74.8 | 127.5 | 173.2 | -46.8 | 0 | 0 | 0 | 0 | 109.9 | ||
| 568 | C | 79.7 | Confident | 78.2 | Confident | 6 Ų | 6 | 57.5 Ų | 57.5 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 158.5 | 177.4 | -64 | 0 | 0 | 0 | 0 | 112 | N570 G571 Q572 A574 C596 | C568-N570 VanDerWaalsContact CB-OD1 3.24Å; C568-N570 WeakPolarHBondContact CB-OD1 3.4Å; C568-N570 PolarHBondContact O-N 3.44Å; C568-G571 PolarHBondContact O-N 3.01Å; C568-Q572 VanDerWaalsContact CB-O 3.27Å; C568-Q572 WeakPolarHBondContact CB-O 3.26Å; C568-Q572 PolarHBondContact N-O 3.11Å; C568-A574 VanDerWaalsContact SG-CA 3.58Å; C568-A574 PolarHBondContact SG-N 3.48Å; C568-C596 WeakPolarHBondContact CA-SG 3.34Å; C568-C596 HydrophobicContact CB-CB 3.67Å; C568-C596 WeakPolarHBondContact CB-SG 3.42Å; C568-C596 WeakPolarHBondContact SG-CA 3.24Å; C568-C596 WeakPolarHBondContact SG-CB 3.46Å; C568-C596 CovalentContact SG-SG 2.03Å; C568-C596 PolarHBondContact SG-SG 2.9Å |
| 569 | P | 77.9 | Confident | 78.5 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.6 | 179.7 | -26 | 35.6 | 0 | 0 | 0 | 115.2 | M591 | P569-M591 HydrophobicContact CG-SD 4.21Š|
| 570 | N | 75.2 | Confident | 78.8 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 5 | 175.8 | 71.3 | -12.4 | 0 | 0 | 0 | 114.1 | C568 Q572 | C568-N570 VanDerWaalsContact CB-OD1 3.24Å; C568-N570 WeakPolarHBondContact CB-OD1 3.4Å; C568-N570 PolarHBondContact O-N 3.44Å; N570-Q572 PolarHBondContact ND2-OE1 3.06Å; N570-Q572 WeakPolarHBondContact OD1-CB 3.02Å; N570-Q572 PolarHBondContact OD1-N 3.44Å; N570-Q572 VanDerWaalsContact OD1-N 3.12Å |
| 571 | G | 77.2 | Confident | 78.5 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 62% | 0.619 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 85.1 | -4.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | C568 | C568-G571 PolarHBondContact O-N 3.01Š|
| 572 | Q | 80.4 | Confident | 78.5 | Confident | 108 Ų | 108 | 77.9 Ų | 77.9 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 159.6 | 173.7 | -63.4 | 179.4 | -46.5 | 0 | 0 | 111.1 | C568 N570 | C568-Q572 VanDerWaalsContact CB-O 3.27Å; C568-Q572 WeakPolarHBondContact CB-O 3.26Å; C568-Q572 PolarHBondContact N-O 3.11Å; N570-Q572 PolarHBondContact ND2-OE1 3.06Å; N570-Q572 WeakPolarHBondContact OD1-CB 3.02Å; N570-Q572 PolarHBondContact OD1-N 3.44Å; N570-Q572 VanDerWaalsContact OD1-N 3.12Å |
| 573 | Q | 78.2 | Confident | 78.7 | Confident | 141 Ų | 141 | 79.7 Ų | 79.7 | 66% | 0.659 | 43% | 0.433 | S | S | * | . | B | Isolated β-bridge | trans | -77.9 | 143.1 | 168.6 | -68.8 | -174.1 | -69.1 | 0 | 0 | 110.6 | ||
| 574 | A | 80.5 | Confident | 79 | Confident | 2 Ų | 2 | 78.1 Ų | 78.1 | 2% | 0.017 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 143.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L565 P566 C568 C595 | L565-A574 WeakPolarHBondContact CB-O 3.1Å; L565-A574 WeakPolarHBondContact CD1-O 3.39Å; P566-A574 HydrophobicContact CG-CB 4.13Å; P566-A574 WeakPolarHBondContact O-CB 3.25Å; P566-A574 PolarHBondContact O-N 2.93Å; C568-A574 VanDerWaalsContact SG-CA 3.58Å; C568-A574 PolarHBondContact SG-N 3.48Å; A574-C595 WeakPolarHBondContact CA-O 3.39Å |
| 575 | I | 81.8 | Confident | 79.6 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 43% | 0.426 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -78.6 | -20.4 | -175.8 | 58 | 161.4 | 0 | 0 | 0 | 114 | P585 Y588 C595 | I575-P585 HydrophobicContact CD1-CG 3.52Å; I575-Y588 HydrophobicContact CB-CE1 4.3Å; I575-Y588 HydrophobicContact CD1-CD1 3.58Å; I575-Y588 HydrophobicContact CD1-CD2 3.9Å; I575-Y588 HydrophobicContact CD1-CE1 3.59Å; I575-Y588 HydrophobicContact CD1-CE2 3.92Å; I575-Y588 HydrophobicContact CD1-CG 3.76Å; I575-Y588 HydrophobicContact CG1-CD1 3.67Å; I575-Y588 HydrophobicContact CG1-CE1 3.71Å; I575-Y588 HydrophobicContact CG1-CG 4.29Å; I575-Y588 HydrophobicContact CG2-CD1 4.42Å; I575-Y588 HydrophobicContact CG2-CE1 3.62Å; I575-C595 HydrophobicContact CD1-CB 4.48Å; I575-C595 HydrophobicContact CG1-CB 3.85Å; I575-C595 WeakPolarHBondContact CG1-O 3.33Å; I575-C595 PolarHBondContact N-O 3.05Å |
| 576 | R | 79.8 | Confident | 79.8 | Confident | 129 Ų | 129 | 77 Ų | 77 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -162 | 164.6 | 173.5 | 66.7 | 178.2 | -60.7 | -177.3 | 17.5 | 109.7 | Q583 G594 C595 | R576-Q583 WeakPolarHBondContact CD-O 2.99Å; R576-Q583 PolarHBondContact NH1-O 2.9Å; R576-G594 CarbonylContact O-C 3.4Å; R576-G594 WeakPolarHBondContact O-CA 3.39Å; R576-C595 HydrophobicContact CG-CB 3.78Å; R576-C595 WeakPolarHBondContact CG-SG 3.2Å; R576-C595 PolarHBondContact O-N 2.88Å |
| 577 | L | 81.2 | Confident | 79.6 | Confident | 64 Ų | 64 | 83 Ų | 83 | 34% | 0.335 | 46% | 0.455 | S | S | . | . | B | Isolated β-bridge | trans | -74.5 | 153.6 | 167.4 | -64.1 | 170.3 | 0 | 0 | 0 | 112.2 | I563 L565 P566 G593 | I563-L577 HydrophobicContact CB-CD1 3.82Å; I563-L577 HydrophobicContact CD1-CD1 3.77Å; I563-L577 HydrophobicContact CG1-CD1 4.4Å; I563-L577 HydrophobicContact CG2-CD1 3.62Å; L565-L577 HydrophobicContact CD2-CD2 4.46Å; L565-L577 HydrophobicContact CD2-CG 4.2Å; P566-L577 HydrophobicContact CG-CD2 4.49Å; L577-G593 WeakPolarHBondContact CA-O 3.46Å |
| 578 | C | 81.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 82.3 Ų | 82.3 | 2% | 0.02 | 44% | 0.442 | C | S | . | . | trans | -154.5 | 153.6 | 177.1 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | Q583 C590 G593 G594 C595 | C578-Q583 HydrophobicContact CB-CB 4.11Å; C578-C590 HydrophobicContact CB-CB 3.94Å; C578-C590 WeakPolarHBondContact CB-SG 3.18Å; C578-C590 PolarHBondContact O-SG 3.17Å; C578-C590 WeakPolarHBondContact SG-CA 3.42Å; C578-C590 WeakPolarHBondContact SG-CB 3.14Å; C578-C590 CovalentContact SG-SG 2.04Å; C578-C590 PolarHBondContact SG-SG 3.42Å; C578-G593 PolarHBondContact N-O 2.91Å; C578-G593 CarbonylContact O-C 3.48Å; C578-G593 WeakPolarHBondContact O-CA 3.46Å; C578-G594 PolarHBondContact SG-O 3.17Å; C578-C595 PolarHBondContact SG-N 3.13Å | ||
| 579 | N | 83.9 | Confident | 80 | Confident | 156 Ų | 156 | 83.4 Ų | 83.4 | 83% | 0.834 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -112.6 | -22.3 | 169.5 | -58 | -19.5 | 0 | 0 | 0 | 111.3 | ||
| 580 | S | 84.8 | Confident | 80.3 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -136.6 | 161.6 | 173 | 79.8 | 0 | 0 | 0 | 0 | 111.9 | E582 Q583 | S580-E582 PolarHBondContact O-N 3.38Å; S580-E582 PolarHBondContact OG-N 3.21Å; S580-Q583 PolarHBondContact O-N 2.83Å |
| 581 | N | 78.8 | Confident | 80.6 | Confident | 99 Ų | 99 | 78.5 Ų | 78.5 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -60.9 | -26.8 | 175.5 | -73.3 | -29.9 | 0 | 0 | 0 | 113.2 | Q583 C584 C590 | N581-Q583 PolarHBondContact O-N 2.82Å; N581-C584 WeakPolarHBondContact O-CB 3.47Å; N581-C584 PolarHBondContact O-N 3.17Å; N581-C584 VanDerWaalsContact O-N 3.1Å; N581-C590 WeakPolarHBondContact OD1-CB 3.25Å; N581-C590 PolarHBondContact OD1-N 2.61Å |
| 582 | E | 83.1 | Confident | 80.7 | Confident | 181 Ų | 181 | 81.6 Ų | 81.6 | 85% | 0.846 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -68.9 | -18.9 | -178.5 | -57.4 | 172.2 | 148 | 0 | 0 | 112.8 | S580 C584 | S580-E582 PolarHBondContact O-N 3.38Å; S580-E582 PolarHBondContact OG-N 3.21Å; E582-C584 VanDerWaalsContact C-N 3.29Å |
| 583 | Q | 80.9 | Confident | 80.6 | Confident | 72 Ų | 72 | 78 Ų | 78 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -82.7 | -8.9 | 175.4 | -62.5 | 175.2 | -72.2 | 0 | 0 | 112.5 | R576 C578 S580 N581 | R576-Q583 WeakPolarHBondContact CD-O 2.99Å; R576-Q583 PolarHBondContact NH1-O 2.9Å; C578-Q583 HydrophobicContact CB-CB 4.11Å; S580-Q583 PolarHBondContact O-N 2.83Å; N581-Q583 PolarHBondContact O-N 2.82Å |
| 584 | C | 79.3 | Confident | 80.8 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -93 | 142.6 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | N581 E582 C595 | N581-C584 WeakPolarHBondContact O-CB 3.47Å; N581-C584 PolarHBondContact O-N 3.17Å; N581-C584 VanDerWaalsContact O-N 3.1Å; E582-C584 VanDerWaalsContact C-N 3.29Å; C584-C595 WeakPolarHBondContact CA-SG 3.02Å; C584-C595 HydrophobicContact CB-CB 3.81Å; C584-C595 WeakPolarHBondContact CB-SG 3.46Å; C584-C595 WeakPolarHBondContact SG-CA 3.38Å; C584-C595 WeakPolarHBondContact SG-CB 3.42Å; C584-C595 CovalentContact SG-SG 2.04Å; C584-C595 PolarHBondContact SG-SG 3.25Å |
| 585 | P | 81.4 | Confident | 81.1 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 40% | 0.403 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 165.1 | 168.8 | 29.9 | -34 | 0 | 0 | 0 | 110.5 | I575 Y588 | I575-P585 HydrophobicContact CD1-CG 3.52Å; P585-Y588 HydrophobicContact CG-CD2 3.84Å; P585-Y588 HydrophobicContact CG-CE2 4.5Å; P585-Y588 HydrophobicContact CG-CG 4.26Å; P585-Y588 PolarHBondContact O-N 3.04Å; P585-Y588 VanDerWaalsContact O-N 3.15Å |
| 586 | A | 75.6 | Confident | 81.2 | Confident | 81 Ų | 81 | 67.4 Ų | 67.4 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 147.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y588 | A586-Y588 WeakPolarHBondContact O-CD2 3.42Å; A586-Y588 PolarHBondContact O-N 2.91Å |
| 587 | E | 72.8 | Confident | 81.2 | Confident | 158 Ų | 158 | 63 Ų | 63 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | -9.5 | -173.7 | -52.9 | 172.9 | -176.5 | 0 | 0 | 115.4 | S598 | E587-S598 PolarHBondContact O-N 2.87Å; E587-S598 PolarHBondContact O-OG 2.03Å |
| 588 | Y | 82.9 | Confident | 80.5 | Confident | 75 Ų | 75 | 61 Ų | 61 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 153 | 173.3 | -65.4 | -103.4 | 0 | 0 | 0 | 111.4 | I575 P585 A586 C596 P597 | I575-Y588 HydrophobicContact CB-CE1 4.3Å; I575-Y588 HydrophobicContact CD1-CD1 3.58Å; I575-Y588 HydrophobicContact CD1-CD2 3.9Å; I575-Y588 HydrophobicContact CD1-CE1 3.59Å; I575-Y588 HydrophobicContact CD1-CE2 3.92Å; I575-Y588 HydrophobicContact CD1-CG 3.76Å; I575-Y588 HydrophobicContact CG1-CD1 3.67Å; I575-Y588 HydrophobicContact CG1-CE1 3.71Å; I575-Y588 HydrophobicContact CG1-CG 4.29Å; I575-Y588 HydrophobicContact CG2-CD1 4.42Å; I575-Y588 HydrophobicContact CG2-CE1 3.62Å; P585-Y588 HydrophobicContact CG-CD2 3.84Å; P585-Y588 HydrophobicContact CG-CE2 4.5Å; P585-Y588 HydrophobicContact CG-CG 4.26Å; P585-Y588 PolarHBondContact O-N 3.04Å; P585-Y588 VanDerWaalsContact O-N 3.15Å; A586-Y588 WeakPolarHBondContact O-CD2 3.42Å; A586-Y588 PolarHBondContact O-N 2.91Å; Y588-C596 CarbonylContact C-O 3.57Å; Y588-C596 VanDerWaalsContact CA-O 3.24Å; Y588-C596 WeakPolarHBondContact CA-O 3.47Å; Y588-C596 VanDerWaalsContact CD1-C 3.46Å; Y588-P597 HydrophobicContact CD1-CG 4.23Å; Y588-P597 HydrophobicContact CE1-CB 4.47Å; Y588-P597 HydrophobicContact CE1-CG 3.74Å |
| 589 | S | 82.8 | Confident | 79.7 | Confident | 29 Ų | 29 | 65 Ų | 65 | 20% | 0.203 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 110 | M591 C596 S598 | S589-M591 PolarHBondContact O-N 3.08Å; S589-C596 PolarHBondContact N-O 2.93Å; S589-C596 PolarHBondContact O-N 2.99Å; S589-S598 PolarHBondContact OG-OG 2.91Å |
| 590 | C | 83.6 | Confident | 78.7 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 111.6 | -178 | -164.4 | 0 | 0 | 0 | 0 | 110.5 | C578 N581 | C578-C590 HydrophobicContact CB-CB 3.94Å; C578-C590 WeakPolarHBondContact CB-SG 3.18Å; C578-C590 PolarHBondContact O-SG 3.17Å; C578-C590 WeakPolarHBondContact SG-CA 3.42Å; C578-C590 WeakPolarHBondContact SG-CB 3.14Å; C578-C590 CovalentContact SG-SG 2.04Å; C578-C590 PolarHBondContact SG-SG 3.42Å; N581-C590 WeakPolarHBondContact OD1-CB 3.25Å; N581-C590 PolarHBondContact OD1-N 2.61Å |
| 591 | M | 82 | Confident | 77.9 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 27% | 0.271 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 129.6 | -178.2 | -57.9 | -167.3 | 173.8 | 0 | 0 | 109.1 | P569 S589 G593 G594 C596 P599 | P569-M591 HydrophobicContact CG-SD 4.21Å; S589-M591 PolarHBondContact O-N 3.08Å; M591-G593 PolarHBondContact O-N 3.28Å; M591-G593 VanDerWaalsContact O-N 3.11Å; M591-G594 PolarHBondContact N-O 3Å; M591-G594 PolarHBondContact O-N 3.47Å; M591-C596 HydrophobicContact CB-CB 4.1Å; M591-C596 HydrophobicContact CG-CB 4.31Å; M591-C596 HydrophobicContact SD-CB 4.43Å; M591-P599 HydrophobicContact CE-CG 3.97Å |
| 592 | N | 79 | Confident | 77.8 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 67% | 0.668 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 32.3 | -176.6 | -58.8 | -19.4 | 0 | 0 | 0 | 114.2 | P566 G594 | P566-N592 WeakPolarHBondContact CG-O 3.18Å; N592-G594 VanDerWaalsContact C-N 3.34Å |
| 593 | G | 79.2 | Confident | 77.5 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 5.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L577 C578 M591 | L577-G593 WeakPolarHBondContact CA-O 3.46Å; C578-G593 PolarHBondContact N-O 2.91Å; C578-G593 CarbonylContact O-C 3.48Å; C578-G593 WeakPolarHBondContact O-CA 3.46Å; M591-G593 PolarHBondContact O-N 3.28Å; M591-G593 VanDerWaalsContact O-N 3.11Å |
| 594 | G | 83 | Confident | 77.4 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 147.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R576 C578 M591 N592 C596 | R576-G594 CarbonylContact O-C 3.4Å; R576-G594 WeakPolarHBondContact O-CA 3.39Å; C578-G594 PolarHBondContact SG-O 3.17Å; M591-G594 PolarHBondContact N-O 3Å; M591-G594 PolarHBondContact O-N 3.47Å; N592-G594 VanDerWaalsContact C-N 3.34Å; G594-C596 PolarHBondContact O-N 3.28Å; G594-C596 VanDerWaalsContact O-N 3.1Å |
| 595 | C | 85.5 | Confident | 77.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 102.5 | 170.3 | -67.5 | 0 | 0 | 0 | 0 | 109.3 | A574 I575 R576 C578 C584 | A574-C595 WeakPolarHBondContact CA-O 3.39Å; I575-C595 HydrophobicContact CD1-CB 4.48Å; I575-C595 HydrophobicContact CG1-CB 3.85Å; I575-C595 WeakPolarHBondContact CG1-O 3.33Å; I575-C595 PolarHBondContact N-O 3.05Å; R576-C595 HydrophobicContact CG-CB 3.78Å; R576-C595 WeakPolarHBondContact CG-SG 3.2Å; R576-C595 PolarHBondContact O-N 2.88Å; C578-C595 PolarHBondContact SG-N 3.13Å; C584-C595 WeakPolarHBondContact CA-SG 3.02Å; C584-C595 HydrophobicContact CB-CB 3.81Å; C584-C595 WeakPolarHBondContact CB-SG 3.46Å; C584-C595 WeakPolarHBondContact SG-CA 3.38Å; C584-C595 WeakPolarHBondContact SG-CB 3.42Å; C584-C595 CovalentContact SG-SG 2.04Å; C584-C595 PolarHBondContact SG-SG 3.25Å |
| 596 | C | 83.9 | Confident | 77.1 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 148.4 | 179 | -69.6 | 0 | 0 | 0 | 0 | 110.1 | C568 Y588 S589 M591 G594 S598 | C568-C596 WeakPolarHBondContact CA-SG 3.34Å; C568-C596 HydrophobicContact CB-CB 3.67Å; C568-C596 WeakPolarHBondContact CB-SG 3.42Å; C568-C596 WeakPolarHBondContact SG-CA 3.24Å; C568-C596 WeakPolarHBondContact SG-CB 3.46Å; C568-C596 CovalentContact SG-SG 2.03Å; C568-C596 PolarHBondContact SG-SG 2.9Å; Y588-C596 CarbonylContact C-O 3.57Å; Y588-C596 VanDerWaalsContact CA-O 3.24Å; Y588-C596 WeakPolarHBondContact CA-O 3.47Å; Y588-C596 VanDerWaalsContact CD1-C 3.46Å; S589-C596 PolarHBondContact N-O 2.93Å; S589-C596 PolarHBondContact O-N 2.99Å; M591-C596 HydrophobicContact CB-CB 4.1Å; M591-C596 HydrophobicContact CG-CB 4.31Å; M591-C596 HydrophobicContact SD-CB 4.43Å; G594-C596 PolarHBondContact O-N 3.28Å; G594-C596 VanDerWaalsContact O-N 3.1Å; C596-S598 PolarHBondContact O-N 2.79Å |
| 597 | P | 79.7 | Confident | 77.3 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 24% | 0.24 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 129.6 | 170.7 | -24.1 | 34.5 | 0 | 0 | 0 | 109.6 | Y588 | Y588-P597 HydrophobicContact CD1-CG 4.23Å; Y588-P597 HydrophobicContact CE1-CB 4.47Å; Y588-P597 HydrophobicContact CE1-CG 3.74Å |
| 598 | S | 68.1 | Low | 77.5 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 124.9 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 108.7 | E587 S589 C596 I600 | E587-S598 PolarHBondContact O-N 2.87Å; E587-S598 PolarHBondContact O-OG 2.03Å; S589-S598 PolarHBondContact OG-OG 2.91Å; C596-S598 PolarHBondContact O-N 2.79Å; S598-I600 PolarHBondContact O-N 3.34Å |
| 599 | P | 63 | Low | 77.1 | Confident | 88 Ų | 88 | 52.6 Ų | 52.6 | 57% | 0.571 | 33% | 0.325 | S | S | * | . | trans | -61.9 | 113.6 | -177.5 | 24.4 | -33 | 0 | 0 | 0 | 108.9 | M591 P601 | M591-P599 HydrophobicContact CE-CG 3.97Å; P599-P601 VanDerWaalsContact O-CD 3.23Å; P599-P601 WeakPolarHBondContact O-CD 3.46Å | ||
| 600 | I | 64.3 | Low | 76.9 | Confident | 98 Ų | 98 | 55.8 Ų | 55.8 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -62 | 117.2 | -178.2 | -63 | 177.1 | 0 | 0 | 0 | 108 | S598 T602 P608 A609 | S598-I600 PolarHBondContact O-N 3.34Å; I600-T602 PolarHBondContact O-N 3.42Å; I600-P608 HydrophobicContact CG2-CB 3.84Å; I600-A609 HydrophobicContact CG2-CB 4.04Å; I600-A609 WeakPolarHBondContact CG2-O 3.49Å |
| 601 | P | 68 | Low | 76.6 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 18% | 0.175 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 134.1 | -175.2 | -25.7 | 37 | 0 | 0 | 0 | 111.5 | P599 C603 A609 T612 | P599-P601 VanDerWaalsContact O-CD 3.23Å; P599-P601 WeakPolarHBondContact O-CD 3.46Å; P601-C603 PolarHBondContact O-N 2.86Å; P601-A609 WeakPolarHBondContact O-CB 3.24Å; P601-A609 PolarHBondContact O-N 3.01Å; P601-T612 HydrophobicContact CG-CG2 4.31Å |
| 602 | T | 75.7 | Confident | 76.4 | Confident | 99 Ų | 99 | 56.7 Ų | 56.7 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | B | Isolated β-bridge | trans | -73.6 | 125.7 | 174 | -44.5 | 0 | 0 | 0 | 0 | 109.8 | I600 | I600-T602 PolarHBondContact O-N 3.42Å |
| 603 | C | 77.7 | Confident | 76.5 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 160.6 | 179 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | P601 N605 G606 Q607 A609 C631 | P601-C603 PolarHBondContact O-N 2.86Å; C603-N605 WeakPolarHBondContact CB-OD1 3.49Å; C603-N605 PolarHBondContact O-N 3.45Å; C603-G606 PolarHBondContact O-N 3.33Å; C603-Q607 VanDerWaalsContact CB-O 3.29Å; C603-Q607 WeakPolarHBondContact CB-O 3.26Å; C603-Q607 PolarHBondContact N-O 2.93Å; C603-A609 VanDerWaalsContact SG-CA 3.58Å; C603-C631 WeakPolarHBondContact CA-SG 3.03Å; C603-C631 HydrophobicContact CB-CB 3.72Å; C603-C631 WeakPolarHBondContact CB-SG 3.3Å; C603-C631 WeakPolarHBondContact SG-CA 3.24Å; C603-C631 WeakPolarHBondContact SG-CB 3.32Å; C603-C631 CovalentContact SG-SG 2.03Å; C603-C631 PolarHBondContact SG-SG 2.85Å |
| 604 | P | 78.5 | Confident | 76.4 | Confident | 102 Ų | 102 | 52 Ų | 52 | 66% | 0.662 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.6 | -179.5 | -25.4 | 34.9 | 0 | 0 | 0 | 115.2 | I626 | P604-I626 HydrophobicContact CG-CD1 4.42Å; P604-I626 HydrophobicContact CG-CG2 3.8Å |
| 605 | N | 76.9 | Confident | 75.8 | Confident | 96 Ų | 96 | 57.6 Ų | 57.6 | 51% | 0.513 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 8.5 | 174.7 | 66.3 | -9 | 0 | 0 | 0 | 113.7 | C603 Q607 | C603-N605 WeakPolarHBondContact CB-OD1 3.49Å; C603-N605 PolarHBondContact O-N 3.45Å; N605-Q607 VanDerWaalsContact C-N 3.26Å; N605-Q607 PolarHBondContact O-N 2.89Å; N605-Q607 WeakPolarHBondContact OD1-CB 3.37Å; N605-Q607 PolarHBondContact OD1-N 2.03Å; N605-Q607 VanDerWaalsContact OD1-N 3.17Å |
| 606 | G | 76.6 | Confident | 75.4 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 55% | 0.546 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 77.8 | -3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C603 | C603-G606 PolarHBondContact O-N 3.33Š|
| 607 | Q | 79.8 | Confident | 75 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 52% | 0.523 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 151.1 | 174.1 | -65.2 | -64.4 | -66.2 | 0 | 0 | 111.1 | C603 N605 | C603-Q607 VanDerWaalsContact CB-O 3.29Å; C603-Q607 WeakPolarHBondContact CB-O 3.26Å; C603-Q607 PolarHBondContact N-O 2.93Å; N605-Q607 VanDerWaalsContact C-N 3.26Å; N605-Q607 PolarHBondContact O-N 2.89Å; N605-Q607 WeakPolarHBondContact OD1-CB 3.37Å; N605-Q607 PolarHBondContact OD1-N 2.03Å; N605-Q607 VanDerWaalsContact OD1-N 3.17Å |
| 608 | P | 76.5 | Confident | 75.1 | Confident | 84 Ų | 84 | 70.7 Ų | 70.7 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 142.6 | 164 | 29.1 | -33.7 | 0 | 0 | 0 | 110.4 | I600 | I600-P608 HydrophobicContact CG2-CB 3.84Å |
| 609 | A | 74.8 | Confident | 75.7 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 4% | 0.041 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 155.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | I600 P601 C603 C630 | I600-A609 HydrophobicContact CG2-CB 4.04Å; I600-A609 WeakPolarHBondContact CG2-O 3.49Å; P601-A609 WeakPolarHBondContact O-CB 3.24Å; P601-A609 PolarHBondContact O-N 3.01Å; C603-A609 VanDerWaalsContact SG-CA 3.58Å; A609-C630 CarbonylContact C-O 3.48Å; A609-C630 WeakPolarHBondContact CA-O 3.39Å; A609-C630 WeakPolarHBondContact CB-O 3.31Å |
| 610 | L | 80 | Confident | 76.5 | Confident | 97 Ų | 97 | 69.7 Ų | 69.7 | 51% | 0.508 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -70.1 | -35.6 | 177.4 | 179.1 | 59.3 | 0 | 0 | 0 | 112.4 | P620 Y623 C630 | L610-P620 HydrophobicContact CD2-CG 3.59Å; L610-Y623 HydrophobicContact CB-CD1 3.9Å; L610-Y623 HydrophobicContact CB-CE1 3.73Å; L610-Y623 HydrophobicContact CD2-CD1 4.17Å; L610-Y623 HydrophobicContact CD2-CD2 3.94Å; L610-Y623 HydrophobicContact CD2-CE1 3.89Å; L610-Y623 HydrophobicContact CD2-CE2 3.65Å; L610-Y623 HydrophobicContact CD2-CG 4.21Å; L610-Y623 HydrophobicContact CG-CE1 4.42Å; L610-C630 HydrophobicContact CB-CB 4.44Å; L610-C630 PolarHBondContact N-O 3.22Å |
| 611 | C | 75.7 | Confident | 77.2 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 36% | 0.358 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -164.4 | 175.4 | 176.9 | 56 | 0 | 0 | 0 | 0 | 110.1 | G629 C630 | C611-G629 WeakPolarHBondContact O-CA 3.34Å; C611-C630 PolarHBondContact O-N 3.11Å; C611-C630 PolarHBondContact SG-SG 2.8Å |
| 612 | T | 78.5 | Confident | 77.5 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 31% | 0.313 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -86.4 | 146.8 | 173.7 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | P601 G628 | P601-T612 HydrophobicContact CG-CG2 4.31Å; T612-G628 CarbonylContact C-O 3.48Å; T612-G628 VanDerWaalsContact CA-O 3.32Å; T612-G628 WeakPolarHBondContact CA-O 3.42Å |
| 613 | C | 80.7 | Confident | 77.9 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 12% | 0.122 | 46% | 0.46 | C | S | . | . | trans | -135.9 | 158.2 | -175 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | K617 C619 C625 G628 G629 C630 | C613-K617 WeakPolarHBondContact CA-O 3.28Å; C613-K617 WeakPolarHBondContact CB-O 3.19Å; C613-C619 VanDerWaalsContact CB-SG 3.59Å; C613-C625 HydrophobicContact CB-CB 3.81Å; C613-C625 WeakPolarHBondContact CB-SG 3.35Å; C613-C625 WeakPolarHBondContact SG-CA 3.46Å; C613-C625 WeakPolarHBondContact SG-CB 3.48Å; C613-C625 CovalentContact SG-SG 2.03Å; C613-C625 PolarHBondContact SG-SG 2.92Å; C613-G628 PolarHBondContact N-O 2.82Å; C613-G628 PolarHBondContact SG-O 3.46Å; C613-G629 PolarHBondContact SG-N 2.87Å; C613-C630 VanDerWaalsContact CB-SG 3.58Å | ||
| 614 | G | 78.4 | Confident | 78.1 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | B | Isolated β-bridge | trans | 168.6 | -165.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G616 K617 | G614-G616 PolarHBondContact O-N 3.34Å; G614-G616 VanDerWaalsContact O-N 3.08Å; G614-K617 PolarHBondContact N-O 3.34Å; G614-K617 VanDerWaalsContact N-O 3.13Å; G614-K617 CarbonylContact O-C 3.59Å; G614-K617 PolarHBondContact O-N 2.67Å |
| 615 | A | 70.4 | Confident | 78.3 | Confident | 118 Ų | 118 | 73 Ų | 73 | 98% | 0.975 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 115.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 616 | G | 75.7 | Confident | 78.5 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 80% | 0.804 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | -5.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | G614 | G614-G616 PolarHBondContact O-N 3.34Å; G614-G616 VanDerWaalsContact O-N 3.08Å |
| 617 | K | 76.5 | Confident | 78.6 | Confident | 117 Ų | 117 | 75.1 Ų | 75.1 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | B | Isolated β-bridge | trans | -128.1 | 88.5 | 171.8 | -72.5 | -163.4 | 176.8 | -171.7 | 0 | 111.1 | C613 G614 | C613-K617 WeakPolarHBondContact CA-O 3.28Å; C613-K617 WeakPolarHBondContact CB-O 3.19Å; G614-K617 PolarHBondContact N-O 3.34Å; G614-K617 VanDerWaalsContact N-O 3.13Å; G614-K617 CarbonylContact O-C 3.59Å; G614-K617 PolarHBondContact O-N 2.67Å |
| 618 | P | 82 | Confident | 78.6 | Confident | 119 Ų | 119 | 71.3 Ų | 71.3 | 77% | 0.773 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 154.8 | 172.7 | 32.3 | -34.8 | 0 | 0 | 0 | 111 | ||
| 619 | C | 79.7 | Confident | 78.9 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 152.2 | 174.2 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | C613 Y623 C630 | C613-C619 VanDerWaalsContact CB-SG 3.59Å; C619-Y623 WeakPolarHBondContact CB-O 3.29Å; C619-C630 WeakPolarHBondContact CA-SG 3Å; C619-C630 HydrophobicContact CB-CB 3.81Å; C619-C630 WeakPolarHBondContact CB-SG 3.43Å; C619-C630 WeakPolarHBondContact SG-CA 3.27Å; C619-C630 WeakPolarHBondContact SG-CB 3.34Å; C619-C630 CovalentContact SG-SG 2.04Å; C619-C630 PolarHBondContact SG-SG 2.79Å |
| 620 | P | 80.7 | Confident | 79.4 | Confident | 58 Ų | 58 | 67 Ų | 67 | 38% | 0.377 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 158.8 | 170.3 | 29.2 | -34.3 | 0 | 0 | 0 | 111.3 | L610 G622 Y623 | L610-P620 HydrophobicContact CD2-CG 3.59Å; P620-G622 PolarHBondContact O-N 3.05Å; P620-Y623 HydrophobicContact CG-CD2 4.02Å; P620-Y623 HydrophobicContact CG-CG 4.42Å; P620-Y623 PolarHBondContact O-N 2.86Å |
| 621 | L | 78 | Confident | 79.6 | Confident | 129 Ų | 129 | 62.5 Ų | 62.5 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 131.7 | -179.8 | -73.8 | 164.8 | 0 | 0 | 0 | 111.8 | Y649 | L621-Y649 HydrophobicContact CD2-CD2 3.88Å; L621-Y649 HydrophobicContact CD2-CE2 3.58Å |
| 622 | G | 74.6 | Confident | 79.7 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -6.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P620 A633 | P620-G622 PolarHBondContact O-N 3.05Å; G622-A633 WeakPolarHBondContact O-CB 3.22Å; G622-A633 PolarHBondContact O-N 3.21Å |
| 623 | Y | 83.6 | Confident | 79.1 | Confident | 79 Ų | 79 | 61.2 Ų | 61.2 | 31% | 0.31 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.8 | -180 | -64.6 | -102.3 | 0 | 0 | 0 | 111.6 | L610 C619 P620 C630 C631 P632 | L610-Y623 HydrophobicContact CB-CD1 3.9Å; L610-Y623 HydrophobicContact CB-CE1 3.73Å; L610-Y623 HydrophobicContact CD2-CD1 4.17Å; L610-Y623 HydrophobicContact CD2-CD2 3.94Å; L610-Y623 HydrophobicContact CD2-CE1 3.89Å; L610-Y623 HydrophobicContact CD2-CE2 3.65Å; L610-Y623 HydrophobicContact CD2-CG 4.21Å; L610-Y623 HydrophobicContact CG-CE1 4.42Å; C619-Y623 WeakPolarHBondContact CB-O 3.29Å; P620-Y623 HydrophobicContact CG-CD2 4.02Å; P620-Y623 HydrophobicContact CG-CG 4.42Å; P620-Y623 PolarHBondContact O-N 2.86Å; Y623-C630 WeakPolarHBondContact CD1-O 3.34Å; Y623-C631 CarbonylContact C-O 3.49Å; Y623-C631 VanDerWaalsContact CA-O 3.23Å; Y623-C631 WeakPolarHBondContact CA-O 3.06Å; Y623-P632 HydrophobicContact CD1-CG 4.29Å; Y623-P632 HydrophobicContact CE1-CB 4.38Å; Y623-P632 HydrophobicContact CE1-CG 3.86Å |
| 624 | N | 82.3 | Confident | 78.2 | Confident | 80 Ų | 80 | 64.9 Ų | 64.9 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.2 | 174.7 | -84.1 | -27.3 | 0 | 0 | 0 | 110.6 | I626 C631 A633 | N624-I626 HydrophobicContact CB-CG1 4.36Å; N624-I626 PolarHBondContact O-N 3.19Å; N624-C631 PolarHBondContact N-O 3.24Å; N624-C631 PolarHBondContact O-N 2.04Å; N624-A633 HydrophobicContact CB-CB 4.37Å; N624-A633 WeakPolarHBondContact ND2-CB 3.04Å |
| 625 | C | 82.9 | Confident | 77.3 | Confident | 71 Ų | 71 | 66.8 Ų | 66.8 | 48% | 0.48 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 108.6 | 175 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | C613 G629 | C613-C625 HydrophobicContact CB-CB 3.81Å; C613-C625 WeakPolarHBondContact CB-SG 3.35Å; C613-C625 WeakPolarHBondContact SG-CA 3.46Å; C613-C625 WeakPolarHBondContact SG-CB 3.48Å; C613-C625 CovalentContact SG-SG 2.03Å; C613-C625 PolarHBondContact SG-SG 2.92Å; C625-G629 WeakPolarHBondContact CA-O 3.47Å |
| 626 | I | 82.2 | Confident | 76.7 | Confident | 52 Ų | 52 | 63.2 Ų | 63.2 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.7 | 179.8 | -55 | 178.9 | 0 | 0 | 0 | 107.9 | P604 N624 G628 G629 C631 | P604-I626 HydrophobicContact CG-CD1 4.42Å; P604-I626 HydrophobicContact CG-CG2 3.8Å; N624-I626 HydrophobicContact CB-CG1 4.36Å; N624-I626 PolarHBondContact O-N 3.19Å; I626-G628 PolarHBondContact O-N 3.2Å; I626-G628 VanDerWaalsContact O-N 3.09Å; I626-G629 PolarHBondContact N-O 3.47Å; I626-G629 PolarHBondContact O-N 2.83Å; I626-G629 VanDerWaalsContact O-O 3.13Å; I626-C631 HydrophobicContact CB-CB 4.25Å; I626-C631 HydrophobicContact CD1-CB 3.98Å; I626-C631 HydrophobicContact CG1-CB 4.25Å |
| 627 | N | 78.7 | Confident | 76.2 | Confident | 142 Ų | 142 | 64.3 Ų | 64.3 | 76% | 0.759 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 33.4 | -178.2 | -60.5 | -20.9 | 0 | 0 | 0 | 114.3 | G629 | N627-G629 VanDerWaalsContact C-N 3.33Š|
| 628 | G | 79.2 | Confident | 75.9 | Confident | 32 Ų | 32 | 59 Ų | 59 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 4.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T612 C613 I626 | T612-G628 CarbonylContact C-O 3.48Å; T612-G628 VanDerWaalsContact CA-O 3.32Å; T612-G628 WeakPolarHBondContact CA-O 3.42Å; C613-G628 PolarHBondContact N-O 2.82Å; C613-G628 PolarHBondContact SG-O 3.46Å; I626-G628 PolarHBondContact O-N 3.2Å; I626-G628 VanDerWaalsContact O-N 3.09Å |
| 629 | G | 81.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C611 C613 C625 I626 N627 C631 | C611-G629 WeakPolarHBondContact O-CA 3.34Å; C613-G629 PolarHBondContact SG-N 2.87Å; C625-G629 WeakPolarHBondContact CA-O 3.47Å; I626-G629 PolarHBondContact N-O 3.47Å; I626-G629 PolarHBondContact O-N 2.83Å; I626-G629 VanDerWaalsContact O-O 3.13Å; N627-G629 VanDerWaalsContact C-N 3.33Å; G629-C631 PolarHBondContact O-N 2.03Å; G629-C631 VanDerWaalsContact O-N 3.1Å |
| 630 | C | 84.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 94.8 | 168.8 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | A609 L610 C611 C613 C619 Y623 | A609-C630 CarbonylContact C-O 3.48Å; A609-C630 WeakPolarHBondContact CA-O 3.39Å; A609-C630 WeakPolarHBondContact CB-O 3.31Å; L610-C630 HydrophobicContact CB-CB 4.44Å; L610-C630 PolarHBondContact N-O 3.22Å; C611-C630 PolarHBondContact O-N 3.11Å; C611-C630 PolarHBondContact SG-SG 2.8Å; C613-C630 VanDerWaalsContact CB-SG 3.58Å; C619-C630 WeakPolarHBondContact CA-SG 3Å; C619-C630 HydrophobicContact CB-CB 3.81Å; C619-C630 WeakPolarHBondContact CB-SG 3.43Å; C619-C630 WeakPolarHBondContact SG-CA 3.27Å; C619-C630 WeakPolarHBondContact SG-CB 3.34Å; C619-C630 CovalentContact SG-SG 2.04Å; C619-C630 PolarHBondContact SG-SG 2.79Å; Y623-C630 WeakPolarHBondContact CD1-O 3.34Å |
| 631 | C | 84.9 | Confident | 74.2 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.014 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 145.4 | -179.8 | -68.1 | 0 | 0 | 0 | 0 | 110.8 | C603 Y623 N624 I626 G629 A633 | C603-C631 WeakPolarHBondContact CA-SG 3.03Å; C603-C631 HydrophobicContact CB-CB 3.72Å; C603-C631 WeakPolarHBondContact CB-SG 3.3Å; C603-C631 WeakPolarHBondContact SG-CA 3.24Å; C603-C631 WeakPolarHBondContact SG-CB 3.32Å; C603-C631 CovalentContact SG-SG 2.03Å; C603-C631 PolarHBondContact SG-SG 2.85Å; Y623-C631 CarbonylContact C-O 3.49Å; Y623-C631 VanDerWaalsContact CA-O 3.23Å; Y623-C631 WeakPolarHBondContact CA-O 3.06Å; N624-C631 PolarHBondContact N-O 3.24Å; N624-C631 PolarHBondContact O-N 2.04Å; I626-C631 HydrophobicContact CB-CB 4.25Å; I626-C631 HydrophobicContact CD1-CB 3.98Å; I626-C631 HydrophobicContact CG1-CB 4.25Å; G629-C631 PolarHBondContact O-N 2.03Å; G629-C631 VanDerWaalsContact O-N 3.1Å; C631-A633 PolarHBondContact O-N 3.46Å; C631-A633 VanDerWaalsContact O-N 3.09Å |
| 632 | P | 78.8 | Confident | 73.8 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 33% | 0.331 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 122.2 | 172.5 | -23.8 | 32.5 | 0 | 0 | 0 | 109.1 | Y623 | Y623-P632 HydrophobicContact CD1-CG 4.29Å; Y623-P632 HydrophobicContact CE1-CB 4.38Å; Y623-P632 HydrophobicContact CE1-CG 3.86Å |
| 633 | A | 64.9 | Low | 73.5 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 132.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | G622 N624 C631 | G622-A633 WeakPolarHBondContact O-CB 3.22Å; G622-A633 PolarHBondContact O-N 3.21Å; N624-A633 HydrophobicContact CB-CB 4.37Å; N624-A633 WeakPolarHBondContact ND2-CB 3.04Å; C631-A633 PolarHBondContact O-N 3.46Å; C631-A633 VanDerWaalsContact O-N 3.09Å |
| 634 | P | 62.8 | Low | 72.8 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 62% | 0.617 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 130.1 | 163.7 | 25.3 | -32.3 | 0 | 0 | 0 | 106.8 | P636 | P634-P636 VanDerWaalsContact O-N 3.08Š|
| 635 | P | 58.1 | Low | 72.5 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 53% | 0.532 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 121.4 | -168.9 | 24.5 | -34.7 | 0 | 0 | 0 | 108 | V637 V643 | P635-V637 PolarHBondContact O-N 2.94Å; P635-V643 HydrophobicContact CB-CG1 3.76Å; P635-V643 HydrophobicContact CG-CG1 3.96Å |
| 636 | P | 58.8 | Low | 71.9 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 28% | 0.279 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 129.2 | -155.1 | 20.1 | -30.3 | 0 | 0 | 0 | 110.3 | P634 A644 A664 | P634-P636 VanDerWaalsContact O-N 3.08Å; P636-A644 HydrophobicContact CG-CB 4.09Å; P636-A644 WeakPolarHBondContact O-CB 3.33Å; P636-A644 PolarHBondContact O-N 2.82Å; P636-A664 HydrophobicContact CB-CB 3.67Å; P636-A664 HydrophobicContact CG-CB 3.69Å |
| 637 | V | 65.4 | Low | 71.4 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 62% | 0.618 | 38% | 0.378 | S | S | * | . | B | Isolated β-bridge | trans | -83.2 | 124.2 | -172.9 | -167.3 | 0 | 0 | 0 | 0 | 108.6 | P635 | P635-V637 PolarHBondContact O-N 2.94Å |
| 638 | C | 68.9 | Low | 71.2 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 156.1 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | G640 G641 Q642 C666 | C638-G640 PolarHBondContact O-N 3.28Å; C638-G641 PolarHBondContact O-N 2.03Å; C638-Q642 HydrophobicContact CB-CB 4.38Å; C638-Q642 WeakPolarHBondContact CB-O 3.44Å; C638-Q642 PolarHBondContact N-O 2.86Å; C638-C666 WeakPolarHBondContact CA-SG 3.05Å; C638-C666 HydrophobicContact CB-CB 3.74Å; C638-C666 WeakPolarHBondContact CB-SG 3.35Å; C638-C666 WeakPolarHBondContact SG-CA 3.36Å; C638-C666 WeakPolarHBondContact SG-CB 2.97Å; C638-C666 CovalentContact SG-SG 2.03Å; C638-C666 PolarHBondContact SG-SG 2.85Å |
| 639 | P | 70.1 | Confident | 70.9 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -24.8 | -178.5 | -28.7 | 36.2 | 0 | 0 | 0 | 115.2 | ||
| 640 | G | 66.2 | Low | 69.9 | Low | 62 Ų | 62 | 59.4 Ų | 59.4 | 64% | 0.639 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 18.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | C638 Q642 | C638-G640 PolarHBondContact O-N 3.28Å; G640-Q642 PolarHBondContact O-N 2.9Å |
| 641 | G | 70.1 | Confident | 68.7 | Low | 59 Ų | 59 | 62.2 Ų | 62.2 | 61% | 0.608 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 76.9 | -2.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C638 | C638-G641 PolarHBondContact O-N 2.03Š|
| 642 | Q | 70.3 | Confident | 67.4 | Low | 115 Ų | 115 | 66.1 Ų | 66.1 | 54% | 0.537 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 149.7 | 178 | -67.2 | 175 | -39.6 | 0 | 0 | 111.6 | C638 G640 | C638-Q642 HydrophobicContact CB-CB 4.38Å; C638-Q642 WeakPolarHBondContact CB-O 3.44Å; C638-Q642 PolarHBondContact N-O 2.86Å; G640-Q642 PolarHBondContact O-N 2.9Å |
| 643 | V | 69 | Low | 66.9 | Low | 101 Ų | 101 | 69.8 Ų | 69.8 | 61% | 0.612 | 47% | 0.472 | S | S | * | . | B | Isolated β-bridge | trans | -74.8 | 126.2 | 174.9 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | P635 | P635-V643 HydrophobicContact CB-CG1 3.76Å; P635-V643 HydrophobicContact CG-CG1 3.96Å |
| 644 | A | 67.8 | Low | 67.3 | Low | 8 Ų | 8 | 70.3 Ų | 70.3 | 7% | 0.066 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 149.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P636 A664 C665 | P636-A644 HydrophobicContact CG-CB 4.09Å; P636-A644 WeakPolarHBondContact O-CB 3.33Å; P636-A644 PolarHBondContact O-N 2.82Å; A644-A664 HydrophobicContact CB-CB 3.73Å; A644-C665 WeakPolarHBondContact CA-O 2.97Å; A644-C665 WeakPolarHBondContact CB-O 3.26Å |
| 645 | V | 77.4 | Confident | 67.9 | Low | 89 Ų | 89 | 68.6 Ų | 68.6 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -73.6 | -32.1 | -177.8 | 173.1 | 0 | 0 | 0 | 0 | 112.3 | P655 F658 C665 | V645-P655 HydrophobicContact CG1-CG 4.1Å; V645-F658 HydrophobicContact CB-CD1 4.47Å; V645-F658 HydrophobicContact CB-CE1 4.37Å; V645-F658 HydrophobicContact CG2-CD1 3.9Å; V645-F658 HydrophobicContact CG2-CE1 3.36Å; V645-F658 HydrophobicContact CG2-CE2 4.17Å; V645-F658 HydrophobicContact CG2-CZ 3.53Å; V645-C665 PolarHBondContact N-O 2.83Å; V645-C665 VanDerWaalsContact N-O 3.12Å |
| 646 | S | 70.7 | Confident | 68.8 | Low | 42 Ų | 42 | 70.8 Ų | 70.8 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -159 | 168.2 | 177.8 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | C665 | S646-C665 PolarHBondContact O-N 2.71Å; S646-C665 PolarHBondContact OG-SG 2.73Å |
| 647 | A | 70.4 | Confident | 69.5 | Low | 39 Ų | 39 | 71.6 Ų | 71.6 | 32% | 0.322 | 50% | 0.495 | S | S | . | . | B | Isolated β-bridge | trans | -73 | 162.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G663 | A647-G663 CarbonylContact C-O 3.52Å; A647-G663 VanDerWaalsContact CA-O 3.23Å; A647-G663 WeakPolarHBondContact CA-O 3.05Å |
| 648 | C | 74.4 | Confident | 70.1 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.02 | 48% | 0.48 | C | S | . | . | trans | -149.4 | 146.2 | 174.2 | 56.8 | 0 | 0 | 0 | 0 | 112 | C660 G663 A664 C665 | C648-C660 HydrophobicContact CB-CB 3.88Å; C648-C660 WeakPolarHBondContact CB-SG 3.17Å; C648-C660 WeakPolarHBondContact SG-CA 3.3Å; C648-C660 WeakPolarHBondContact SG-CB 3.41Å; C648-C660 CovalentContact SG-SG 2.03Å; C648-C660 PolarHBondContact SG-SG 3.16Å; C648-G663 PolarHBondContact N-O 2.03Å; C648-G663 WeakPolarHBondContact O-CA 3.48Å; C648-A664 PolarHBondContact SG-N 3.26Å; C648-A664 VanDerWaalsContact SG-N 3.36Å; C648-C665 VanDerWaalsContact CB-SG 3.58Å | ||
| 649 | Y | 73.4 | Confident | 70.4 | Confident | 144 Ų | 144 | 73.2 Ų | 73.2 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -127.9 | 148.6 | 174.9 | -68.1 | -97.3 | 0 | 0 | 0 | 109.2 | L621 G651 | L621-Y649 HydrophobicContact CD2-CD2 3.88Å; L621-Y649 HydrophobicContact CD2-CE2 3.58Å; Y649-G651 PolarHBondContact O-N 2.87Å |
| 650 | G | 61.1 | Low | 70.7 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 90% | 0.897 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 12.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | A652 | G650-A652 PolarHBondContact O-N 3.35Š|
| 651 | G | 58.7 | Low | 71 | Confident | 60 Ų | 60 | 69.8 Ų | 69.8 | 62% | 0.619 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 5.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y649 | Y649-G651 PolarHBondContact O-N 2.87Š|
| 652 | A | 57.9 | Low | 71.1 | Confident | 84 Ų | 84 | 74.9 Ų | 74.9 | 69% | 0.694 | 47% | 0.473 | S | S | * | . | trans | -117.4 | 10.1 | -158.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | G650 | G650-A652 PolarHBondContact O-N 3.35Š| ||
| 653 | Q | 69.2 | Low | 71.3 | Confident | 128 Ų | 128 | 71 Ų | 71 | 60% | 0.598 | 46% | 0.464 | S | S | * | . | trans | -135.5 | 18.5 | -166.7 | -69.6 | -178.6 | -52.2 | 0 | 0 | 116.2 | ||||
| 654 | C | 72.6 | Confident | 71.5 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 24% | 0.243 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 140.8 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | F658 C665 | C654-F658 HydrophobicContact CB-CB 4.04Å; C654-F658 WeakPolarHBondContact CB-O 3.44Å; C654-C665 WeakPolarHBondContact CA-SG 3.24Å; C654-C665 HydrophobicContact CB-CB 3.78Å; C654-C665 WeakPolarHBondContact CB-SG 3.48Å; C654-C665 WeakPolarHBondContact SG-CA 3.44Å; C654-C665 WeakPolarHBondContact SG-CB 3.33Å; C654-C665 CovalentContact SG-SG 2.04Å; C654-C665 PolarHBondContact SG-SG 2.84Å |
| 655 | P | 76 | Confident | 72.1 | Confident | 60 Ų | 60 | 65.9 Ų | 65.9 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -66 | 156.5 | 172.5 | 28 | -33.4 | 0 | 0 | 0 | 111.3 | V645 G657 F658 | V645-P655 HydrophobicContact CG1-CG 4.1Å; P655-G657 PolarHBondContact O-N 2.97Å; P655-F658 HydrophobicContact CG-CD2 3.97Å; P655-F658 HydrophobicContact CG-CG 4.47Å; P655-F658 WeakPolarHBondContact O-CB 3.25Å; P655-F658 PolarHBondContact O-N 3.26Å |
| 656 | S | 77.2 | Confident | 72.1 | Confident | 128 Ų | 128 | 61.7 Ų | 61.7 | 90% | 0.895 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 127.8 | -177.3 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 657 | G | 73.1 | Confident | 72.2 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 61% | 0.608 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | -7.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P655 | P655-G657 PolarHBondContact O-N 2.97Š|
| 658 | F | 77.9 | Confident | 71.9 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 31% | 0.307 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134 | -180 | -61 | -98.3 | 0 | 0 | 0 | 111.6 | V645 C654 P655 C665 C666 P667 | V645-F658 HydrophobicContact CB-CD1 4.47Å; V645-F658 HydrophobicContact CB-CE1 4.37Å; V645-F658 HydrophobicContact CG2-CD1 3.9Å; V645-F658 HydrophobicContact CG2-CE1 3.36Å; V645-F658 HydrophobicContact CG2-CE2 4.17Å; V645-F658 HydrophobicContact CG2-CZ 3.53Å; C654-F658 HydrophobicContact CB-CB 4.04Å; C654-F658 WeakPolarHBondContact CB-O 3.44Å; P655-F658 HydrophobicContact CG-CD2 3.97Å; P655-F658 HydrophobicContact CG-CG 4.47Å; P655-F658 WeakPolarHBondContact O-CB 3.25Å; P655-F658 PolarHBondContact O-N 3.26Å; F658-C665 HydrophobicContact CB-CB 4.14Å; F658-C666 CarbonylContact C-O 3.49Å; F658-C666 VanDerWaalsContact CA-O 3.29Å; F658-C666 WeakPolarHBondContact CA-O 2.98Å; F658-P667 HydrophobicContact CE1-CB 4.46Å |
| 659 | I | 75.5 | Confident | 71 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145.3 | 171.9 | 178.8 | 170.1 | 0 | 0 | 0 | 109.8 | L661 C666 T668 | I659-L661 HydrophobicContact CD1-CD2 4.22Å; I659-L661 HydrophobicContact CG1-CD2 4.36Å; I659-L661 HydrophobicContact CG1-CG 4.22Å; I659-L661 HydrophobicContact CG2-CD1 3.73Å; I659-L661 HydrophobicContact CG2-CG 3.91Å; I659-L661 PolarHBondContact O-N 3.28Å; I659-C666 VanDerWaalsContact CG2-O 3.26Å; I659-C666 WeakPolarHBondContact CG2-O 3.35Å; I659-C666 PolarHBondContact N-O 2.98Å; I659-C666 PolarHBondContact O-N 3.41Å; I659-T668 HydrophobicContact CB-CG2 3.99Å; I659-T668 HydrophobicContact CG2-CG2 3.67Å |
| 660 | C | 75.5 | Confident | 70.3 | Confident | 35 Ų | 35 | 68.3 Ų | 68.3 | 24% | 0.236 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 112.2 | 172.6 | -172.8 | 0 | 0 | 0 | 0 | 110.8 | C648 A664 | C648-C660 HydrophobicContact CB-CB 3.88Å; C648-C660 WeakPolarHBondContact CB-SG 3.17Å; C648-C660 WeakPolarHBondContact SG-CA 3.3Å; C648-C660 WeakPolarHBondContact SG-CB 3.41Å; C648-C660 CovalentContact SG-SG 2.03Å; C648-C660 PolarHBondContact SG-SG 3.16Å; C660-A664 WeakPolarHBondContact CA-O 3.46Å |
| 661 | L | 73.3 | Confident | 70.1 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 24% | 0.241 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126 | 179.4 | -68.6 | 173.7 | 0 | 0 | 0 | 110.2 | I659 G663 A664 C666 P669 | I659-L661 HydrophobicContact CD1-CD2 4.22Å; I659-L661 HydrophobicContact CG1-CD2 4.36Å; I659-L661 HydrophobicContact CG1-CG 4.22Å; I659-L661 HydrophobicContact CG2-CD1 3.73Å; I659-L661 HydrophobicContact CG2-CG 3.91Å; I659-L661 PolarHBondContact O-N 3.28Å; L661-G663 PolarHBondContact O-N 3.18Å; L661-G663 VanDerWaalsContact O-N 3.08Å; L661-A664 PolarHBondContact N-O 3.49Å; L661-A664 WeakPolarHBondContact O-CA 3.41Å; L661-A664 VanDerWaalsContact O-CB 3.29Å; L661-A664 WeakPolarHBondContact O-CB 3.36Å; L661-A664 PolarHBondContact O-N 3.28Å; L661-C666 HydrophobicContact CD1-CB 4.24Å; L661-P669 HydrophobicContact CD1-CG 3.33Å |
| 662 | N | 72.1 | Confident | 70.5 | Confident | 165 Ų | 165 | 68.8 Ų | 68.8 | 88% | 0.882 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 34.1 | -179.6 | -61.1 | -14.1 | 0 | 0 | 0 | 114.1 | ||
| 663 | G | 73.5 | Confident | 71.2 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 34% | 0.34 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 11.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A647 C648 L661 | A647-G663 CarbonylContact C-O 3.52Å; A647-G663 VanDerWaalsContact CA-O 3.23Å; A647-G663 WeakPolarHBondContact CA-O 3.05Å; C648-G663 PolarHBondContact N-O 2.03Å; C648-G663 WeakPolarHBondContact O-CA 3.48Å; L661-G663 PolarHBondContact O-N 3.18Å; L661-G663 VanDerWaalsContact O-N 3.08Å |
| 664 | A | 73.7 | Confident | 71.2 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 3% | 0.025 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P636 A644 C648 C660 L661 C666 | P636-A664 HydrophobicContact CB-CB 3.67Å; P636-A664 HydrophobicContact CG-CB 3.69Å; A644-A664 HydrophobicContact CB-CB 3.73Å; C648-A664 PolarHBondContact SG-N 3.26Å; C648-A664 VanDerWaalsContact SG-N 3.36Å; C660-A664 WeakPolarHBondContact CA-O 3.46Å; L661-A664 PolarHBondContact N-O 3.49Å; L661-A664 WeakPolarHBondContact O-CA 3.41Å; L661-A664 VanDerWaalsContact O-CB 3.29Å; L661-A664 WeakPolarHBondContact O-CB 3.36Å; L661-A664 PolarHBondContact O-N 3.28Å; A664-C666 PolarHBondContact O-N 3.27Å |
| 665 | C | 81.5 | Confident | 71.1 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 103.3 | 173.9 | -69.7 | 0 | 0 | 0 | 0 | 111 | A644 V645 S646 C648 C654 F658 | A644-C665 WeakPolarHBondContact CA-O 2.97Å; A644-C665 WeakPolarHBondContact CB-O 3.26Å; V645-C665 PolarHBondContact N-O 2.83Å; V645-C665 VanDerWaalsContact N-O 3.12Å; S646-C665 PolarHBondContact O-N 2.71Å; S646-C665 PolarHBondContact OG-SG 2.73Å; C648-C665 VanDerWaalsContact CB-SG 3.58Å; C654-C665 WeakPolarHBondContact CA-SG 3.24Å; C654-C665 HydrophobicContact CB-CB 3.78Å; C654-C665 WeakPolarHBondContact CB-SG 3.48Å; C654-C665 WeakPolarHBondContact SG-CA 3.44Å; C654-C665 WeakPolarHBondContact SG-CB 3.33Å; C654-C665 CovalentContact SG-SG 2.04Å; C654-C665 PolarHBondContact SG-SG 2.84Å; F658-C665 HydrophobicContact CB-CB 4.14Å |
| 666 | C | 76.7 | Confident | 70.8 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 145.5 | -169.9 | -71.8 | 0 | 0 | 0 | 0 | 112 | C638 F658 I659 L661 A664 | C638-C666 WeakPolarHBondContact CA-SG 3.05Å; C638-C666 HydrophobicContact CB-CB 3.74Å; C638-C666 WeakPolarHBondContact CB-SG 3.35Å; C638-C666 WeakPolarHBondContact SG-CA 3.36Å; C638-C666 WeakPolarHBondContact SG-CB 2.97Å; C638-C666 CovalentContact SG-SG 2.03Å; C638-C666 PolarHBondContact SG-SG 2.85Å; F658-C666 CarbonylContact C-O 3.49Å; F658-C666 VanDerWaalsContact CA-O 3.29Å; F658-C666 WeakPolarHBondContact CA-O 2.98Å; I659-C666 VanDerWaalsContact CG2-O 3.26Å; I659-C666 WeakPolarHBondContact CG2-O 3.35Å; I659-C666 PolarHBondContact N-O 2.98Å; I659-C666 PolarHBondContact O-N 3.41Å; L661-C666 HydrophobicContact CD1-CB 4.24Å; A664-C666 PolarHBondContact O-N 3.27Å |
| 667 | P | 72 | Confident | 70.6 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 141.7 | 170.3 | 28.5 | -33.1 | 0 | 0 | 0 | 109.5 | F658 P669 | F658-P667 HydrophobicContact CE1-CB 4.46Å; P667-P669 WeakPolarHBondContact O-CD 3.47Å |
| 668 | T | 64.9 | Low | 70.7 | Confident | 110 Ų | 110 | 68 Ų | 68 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | trans | -59.5 | 110 | -167.6 | 45.6 | 0 | 0 | 0 | 0 | 113.7 | I659 | I659-T668 HydrophobicContact CB-CG2 3.99Å; I659-T668 HydrophobicContact CG2-CG2 3.67Å | ||
| 669 | P | 56.1 | Low | 70.4 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 38% | 0.377 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 166.9 | 176.5 | 37.4 | -26.4 | 0 | 0 | 0 | 111.8 | L661 P667 | L661-P669 HydrophobicContact CD1-CG 3.33Å; P667-P669 WeakPolarHBondContact O-CD 3.47Å |
| 670 | L | 58.1 | Low | 70.6 | Confident | 154 Ų | 154 | 67.2 Ų | 67.2 | 81% | 0.806 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -75.4 | 145.9 | 178.9 | -58.1 | 108.8 | 0 | 0 | 0 | 111.9 | ||
| 671 | V | 57.8 | Low | 71 | Confident | 70 Ų | 70 | 69.9 Ų | 69.9 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 142.4 | -177.2 | -178 | 0 | 0 | 0 | 0 | 111.5 | P679 | V671-P679 HydrophobicContact CB-CG 4.17Å; V671-P679 HydrophobicContact CG1-CG 4.07Å; V671-P679 WeakPolarHBondContact O-CD 2.99Å |
| 672 | V | 66 | Low | 71.5 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 53% | 0.527 | 42% | 0.424 | S | S | . | . | trans | -139.7 | 144.3 | 178.6 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | G676 K677 | V672-G676 WeakPolarHBondContact CG1-O 3.09Å; V672-K677 VanDerWaalsContact CG1-O 3.29Å; V672-K677 WeakPolarHBondContact CG1-O 3.03Å | ||
| 673 | C | 73.7 | Confident | 72 | Confident | 10 Ų | 10 | 67.7 Ų | 67.7 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | trans | -77.3 | 163.9 | 179.4 | -81.1 | 0 | 0 | 0 | 0 | 113.4 | D675 G676 K677 C700 C701 | C673-D675 WeakPolarHBondContact CB-OD1 3.39Å; C673-D675 PolarHBondContact O-N 3.19Å; C673-D675 VanDerWaalsContact O-N 3.11Å; C673-G676 PolarHBondContact O-N 3.06Å; C673-K677 WeakPolarHBondContact CB-O 3.11Å; C673-K677 PolarHBondContact N-O 2.68Å; C673-C700 PolarHBondContact SG-O 3.44Å; C673-C701 VanDerWaalsContact CA-SG 3.52Å; C673-C701 HydrophobicContact CB-CB 3.67Å; C673-C701 WeakPolarHBondContact CB-SG 3.32Å; C673-C701 WeakPolarHBondContact SG-CB 3.47Å; C673-C701 CovalentContact SG-SG 2.04Å; C673-C701 PolarHBondContact SG-SG 2.83Å | ||
| 674 | P | 68 | Low | 72.6 | Confident | 88 Ų | 88 | 69.5 Ų | 69.5 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13 | -179.4 | -22.6 | 35.4 | 0 | 0 | 0 | 115.6 | I696 C701 | P674-I696 HydrophobicContact CG-CD1 3.76Å; P674-I696 HydrophobicContact CG-CG2 4.42Å; P674-C701 HydrophobicContact CG-CB 4.5Å |
| 675 | D | 71 | Confident | 73 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 33% | 0.332 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 0.4 | 174.4 | 63.9 | -10.2 | 0 | 0 | 0 | 113.1 | C673 K677 | C673-D675 WeakPolarHBondContact CB-OD1 3.39Å; C673-D675 PolarHBondContact O-N 3.19Å; C673-D675 VanDerWaalsContact O-N 3.11Å; D675-K677 VanDerWaalsContact C-N 3.35Å; D675-K677 WeakPolarHBondContact OD1-CB 3.5Å; D675-K677 PolarHBondContact OD1-N 2.96Å; D675-K677 VanDerWaalsContact OD2-CD 3.23Å; D675-K677 WeakPolarHBondContact OD2-CD 3.09Å; D675-K677 WeakPolarHBondContact OD2-CE 3.05Å; D675-K677 VanDerWaalsContact OD2-CG 3.29Å; D675-K677 WeakPolarHBondContact OD2-CG 3.44Å; D675-K677 IonicContact OD2-NZ 2.66Å; D675-K677 PolarHBondContact OD2-NZ 3.1Å |
| 676 | G | 68.7 | Low | 73 | Confident | 58 Ų | 58 | 86 Ų | 86 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 83 | -1.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V672 C673 | V672-G676 WeakPolarHBondContact CG1-O 3.09Å; C673-G676 PolarHBondContact O-N 3.06Å |
| 677 | K | 74 | Confident | 73.1 | Confident | 108 Ų | 108 | 87.9 Ų | 87.9 | 47% | 0.47 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -78.2 | 158 | 175.5 | -58 | -174.1 | -161.8 | 105.3 | 0 | 110.6 | V672 C673 D675 E702 | V672-K677 VanDerWaalsContact CG1-O 3.29Å; V672-K677 WeakPolarHBondContact CG1-O 3.03Å; C673-K677 WeakPolarHBondContact CB-O 3.11Å; C673-K677 PolarHBondContact N-O 2.68Å; D675-K677 VanDerWaalsContact C-N 3.35Å; D675-K677 WeakPolarHBondContact OD1-CB 3.5Å; D675-K677 PolarHBondContact OD1-N 2.96Å; D675-K677 VanDerWaalsContact OD2-CD 3.23Å; D675-K677 WeakPolarHBondContact OD2-CD 3.09Å; D675-K677 WeakPolarHBondContact OD2-CE 3.05Å; D675-K677 VanDerWaalsContact OD2-CG 3.29Å; D675-K677 WeakPolarHBondContact OD2-CG 3.44Å; D675-K677 IonicContact OD2-NZ 2.66Å; D675-K677 PolarHBondContact OD2-NZ 3.1Å; K677-E702 IonicContact NZ-OE2 2.68Å; K677-E702 PolarHBondContact NZ-OE2 2.85Å |
| 678 | Q | 74.9 | Confident | 73.6 | Confident | 153 Ų | 153 | 86.8 Ų | 86.8 | 72% | 0.715 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 147.4 | 166.3 | -83.2 | -167.7 | -19.6 | 0 | 0 | 110.8 | L680 | Q678-L680 PolarHBondContact O-N 3.29Š|
| 679 | P | 71 | Confident | 74.5 | Confident | 29 Ų | 29 | 83.2 Ų | 83.2 | 19% | 0.188 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 133 | 176.9 | 25.2 | -35 | 0 | 0 | 0 | 111.8 | V671 Q681 H699 | V671-P679 HydrophobicContact CB-CG 4.17Å; V671-P679 HydrophobicContact CG1-CG 4.07Å; V671-P679 WeakPolarHBondContact O-CD 2.99Å; P679-Q681 VanDerWaalsContact C-N 3.34Å; P679-Q681 PolarHBondContact O-N 2.85Å; P679-H699 HydrophobicContact CB-CB 3.5Å; P679-H699 HydrophobicContact CG-CB 4.39Å |
| 680 | L | 79.8 | Confident | 75.8 | Confident | 96 Ų | 96 | 82.9 Ų | 82.9 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -59.9 | -43.7 | -177.7 | -179.1 | 67.8 | 0 | 0 | 0 | 112.7 | Q678 P690 F693 C700 | Q678-L680 PolarHBondContact O-N 3.29Å; L680-P690 HydrophobicContact CD2-CB 4.34Å; L680-P690 HydrophobicContact CD2-CG 3.85Å; L680-F693 HydrophobicContact CB-CE1 4.43Å; L680-F693 HydrophobicContact CD2-CD2 4.06Å; L680-F693 HydrophobicContact CD2-CE1 4.36Å; L680-F693 HydrophobicContact CD2-CE2 3.87Å; L680-F693 HydrophobicContact CD2-CG 4.41Å; L680-F693 HydrophobicContact CD2-CZ 4.02Å; L680-C700 HydrophobicContact CB-CB 4.4Å |
| 681 | Q | 84.7 | Confident | 76.8 | Confident | 92 Ų | 92 | 82.8 Ų | 82.8 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -162.5 | 174 | 179.3 | 56.8 | 176.5 | 57.8 | 0 | 0 | 109.5 | P679 H699 C700 | P679-Q681 VanDerWaalsContact C-N 3.34Å; P679-Q681 PolarHBondContact O-N 2.85Å; Q681-H699 WeakPolarHBondContact O-CA 3.06Å; Q681-H699 PolarHBondContact O-ND1 3.23Å; Q681-H699 VanDerWaalsContact O-ND1 3.15Å; Q681-C700 PolarHBondContact O-N 3.28Å |
| 682 | Q | 83.1 | Confident | 77.7 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 67% | 0.673 | 48% | 0.48 | S | S | * | . | B | Isolated β-bridge | trans | -74 | 146.5 | 160.7 | -162.6 | 173.5 | -8.8 | 0 | 0 | 109.2 | G698 | Q682-G698 CarbonylContact C-O 3.6Å; Q682-G698 VanDerWaalsContact CA-O 3.32Å; Q682-G698 WeakPolarHBondContact CA-O 3.27Å; Q682-G698 VanDerWaalsContact CG-O 3.25Å; Q682-G698 WeakPolarHBondContact CG-O 3.28Å |
| 683 | C | 83 | Confident | 78.5 | Confident | 21 Ų | 21 | 82 Ų | 82 | 14% | 0.142 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 154.9 | 176.3 | -49.7 | 0 | 0 | 0 | 0 | 111 | C695 G698 H699 | C683-C695 HydrophobicContact CB-CB 4.02Å; C683-C695 WeakPolarHBondContact CB-SG 3.33Å; C683-C695 VanDerWaalsContact SG-CA 3.54Å; C683-C695 WeakPolarHBondContact SG-CB 3.32Å; C683-C695 CovalentContact SG-SG 2.03Å; C683-C695 PolarHBondContact SG-SG 3.45Å; C683-G698 PolarHBondContact N-O 3.1Å; C683-G698 PolarHBondContact SG-O 2.95Å; C683-G698 VanDerWaalsContact SG-O 3.41Å; C683-H699 VanDerWaalsContact SG-C 3.59Å; C683-H699 VanDerWaalsContact SG-CA 3.59Å; C683-H699 PolarHBondContact SG-N 2.03Å |
| 684 | D | 85.4 | Confident | 78.9 | Confident | 70 Ų | 70 | 84.4 Ų | 84.4 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 169.7 | 172.1 | 73.4 | 37.9 | 0 | 0 | 0 | 112.1 | Y686 G687 G688 | D684-Y686 PolarHBondContact O-N 3.3Å; D684-Y686 VanDerWaalsContact OD1-CA 3.3Å; D684-Y686 WeakPolarHBondContact OD1-CA 3.42Å; D684-Y686 WeakPolarHBondContact OD1-CB 3.02Å; D684-Y686 PolarHBondContact OD1-N 2.92Å; D684-G687 PolarHBondContact O-N 2.83Å; D684-G687 PolarHBondContact OD1-N 2.94Å; D684-G688 PolarHBondContact N-O 3.01Å; D684-G688 PolarHBondContact OD1-N 2.62Å; D684-G688 VanDerWaalsContact OD2-CA 3.24Å; D684-G688 WeakPolarHBondContact OD2-CA 3.44Å |
| 685 | P | 82.7 | Confident | 79.6 | Confident | 128 Ų | 128 | 82.4 Ų | 82.4 | 83% | 0.831 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11.2 | -179.2 | -25.8 | 36.5 | 0 | 0 | 0 | 115.8 | ||
| 686 | Y | 81.9 | Confident | 79.9 | Confident | 222 Ų | 222 | 82.4 Ų | 82.4 | 87% | 0.871 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | 5 | 176.8 | -52.2 | -76.1 | 0 | 0 | 0 | 112.2 | D684 G688 | D684-Y686 PolarHBondContact O-N 3.3Å; D684-Y686 VanDerWaalsContact OD1-CA 3.3Å; D684-Y686 WeakPolarHBondContact OD1-CA 3.42Å; D684-Y686 WeakPolarHBondContact OD1-CB 3.02Å; D684-Y686 PolarHBondContact OD1-N 2.92Å; Y686-G688 VanDerWaalsContact C-N 3.31Å |
| 687 | G | 77.7 | Confident | 80.2 | Confident | 39 Ų | 39 | 85.1 Ų | 85.1 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | trans | 78.5 | 13.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | D684 C695 | D684-G687 PolarHBondContact O-N 2.83Å; D684-G687 PolarHBondContact OD1-N 2.94Å; G687-C695 WeakPolarHBondContact O-CB 3.42Å | ||
| 688 | G | 83.4 | Confident | 80.5 | Confident | 23 Ų | 23 | 81.4 Ų | 81.4 | 24% | 0.237 | 47% | 0.47 | C | S | . | . | trans | -72.7 | 148.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D684 Y686 | D684-G688 PolarHBondContact N-O 3.01Å; D684-G688 PolarHBondContact OD1-N 2.62Å; D684-G688 VanDerWaalsContact OD2-CA 3.24Å; D684-G688 WeakPolarHBondContact OD2-CA 3.44Å; Y686-G688 VanDerWaalsContact C-N 3.31Å | ||
| 689 | C | 83.2 | Confident | 80.8 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 24% | 0.236 | 45% | 0.446 | C | S | . | . | trans | -141.9 | 157.3 | 176.5 | -76.8 | 0 | 0 | 0 | 0 | 109.4 | F693 C700 | C689-F693 HydrophobicContact CB-CB 4.08Å; C689-C700 VanDerWaalsContact CA-SG 3.59Å; C689-C700 HydrophobicContact CB-CB 3.76Å; C689-C700 WeakPolarHBondContact CB-SG 3.39Å; C689-C700 WeakPolarHBondContact SG-CA 3.42Å; C689-C700 WeakPolarHBondContact SG-CB 3Å; C689-C700 CovalentContact SG-SG 2.04Å; C689-C700 PolarHBondContact SG-SG 2.03Å | ||
| 690 | P | 83.2 | Confident | 81.6 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 34% | 0.338 | 44% | 0.437 | S | S | . | . | trans | -57.4 | 150.8 | 171.8 | -26 | 37.1 | 0 | 0 | 0 | 112.7 | L680 G692 F693 | L680-P690 HydrophobicContact CD2-CB 4.34Å; L680-P690 HydrophobicContact CD2-CG 3.85Å; P690-G692 PolarHBondContact O-N 2.91Å; P690-F693 HydrophobicContact CB-CD2 4.38Å; P690-F693 WeakPolarHBondContact O-CB 3.23Å; P690-F693 PolarHBondContact O-N 2.74Å | ||
| 691 | V | 80.7 | Confident | 81.7 | Confident | 152 Ų | 152 | 70.4 Ų | 70.4 | 92% | 0.921 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 133.4 | -177.3 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 692 | G | 75.2 | Confident | 81.5 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 65% | 0.649 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99 | -25.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P690 | P690-G692 PolarHBondContact O-N 2.91Š|
| 693 | F | 83.3 | Confident | 80.7 | Confident | 78 Ų | 78 | 74.1 Ų | 74.1 | 34% | 0.342 | 42% | 0.422 | S | S | . | . | trans | -101.4 | 153.3 | 178.4 | -58.6 | -97.9 | 0 | 0 | 0 | 112 | L680 C689 P690 C700 C701 | L680-F693 HydrophobicContact CB-CE1 4.43Å; L680-F693 HydrophobicContact CD2-CD2 4.06Å; L680-F693 HydrophobicContact CD2-CE1 4.36Å; L680-F693 HydrophobicContact CD2-CE2 3.87Å; L680-F693 HydrophobicContact CD2-CG 4.41Å; L680-F693 HydrophobicContact CD2-CZ 4.02Å; C689-F693 HydrophobicContact CB-CB 4.08Å; P690-F693 HydrophobicContact CB-CD2 4.38Å; P690-F693 WeakPolarHBondContact O-CB 3.23Å; P690-F693 PolarHBondContact O-N 2.74Å; F693-C700 HydrophobicContact CB-CB 3.87Å; F693-C700 HydrophobicContact CD1-CB 4.42Å; F693-C700 HydrophobicContact CG-CB 4.36Å; F693-C701 CarbonylContact C-O 3.43Å; F693-C701 VanDerWaalsContact CA-O 3.24Å; F693-C701 WeakPolarHBondContact CA-O 3.43Å | ||
| 694 | F | 81.7 | Confident | 79.2 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 26% | 0.259 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 151.3 | 167.4 | 70.5 | -88.6 | 0 | 0 | 0 | 111.2 | I696 C700 C701 E702 R703 | F694-I696 HydrophobicContact CD2-CB 4.38Å; F694-I696 HydrophobicContact CE2-CB 3.91Å; F694-I696 HydrophobicContact CE2-CD1 3.84Å; F694-I696 HydrophobicContact CE2-CG1 3.95Å; F694-I696 HydrophobicContact CZ-CD1 4.2Å; F694-I696 PolarHBondContact O-N 2.89Å; F694-C700 WeakPolarHBondContact O-CA 3.06Å; F694-C701 WeakPolarHBondContact CD1-O 3.31Å; F694-C701 PolarHBondContact N-O 2.87Å; F694-C701 PolarHBondContact O-N 3.38Å; F694-E702 WeakPolarHBondContact CE1-O 3Å; F694-R703 HydrophobicContact CD1-CB 4.08Å; F694-R703 HydrophobicContact CD1-CG 4.05Å; F694-R703 HydrophobicContact CE1-CB 3.73Å; F694-R703 HydrophobicContact CE1-CG 3.74Å |
| 695 | C | 83.1 | Confident | 77.3 | Confident | 46 Ų | 46 | 85.1 Ų | 85.1 | 31% | 0.311 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.8 | 177.3 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | C683 G687 H699 | C683-C695 HydrophobicContact CB-CB 4.02Å; C683-C695 WeakPolarHBondContact CB-SG 3.33Å; C683-C695 VanDerWaalsContact SG-CA 3.54Å; C683-C695 WeakPolarHBondContact SG-CB 3.32Å; C683-C695 CovalentContact SG-SG 2.03Å; C683-C695 PolarHBondContact SG-SG 3.45Å; G687-C695 WeakPolarHBondContact O-CB 3.42Å; C695-H699 CarbonylContact C-O 3.53Å; C695-H699 WeakPolarHBondContact CA-O 3.04Å |
| 696 | I | 77.8 | Confident | 75.2 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 32% | 0.323 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.2 | 169.8 | -142.5 | 177.6 | 0 | 0 | 0 | 108.4 | P674 F694 G698 H699 C701 | P674-I696 HydrophobicContact CG-CD1 3.76Å; P674-I696 HydrophobicContact CG-CG2 4.42Å; F694-I696 HydrophobicContact CD2-CB 4.38Å; F694-I696 HydrophobicContact CE2-CB 3.91Å; F694-I696 HydrophobicContact CE2-CD1 3.84Å; F694-I696 HydrophobicContact CE2-CG1 3.95Å; F694-I696 HydrophobicContact CZ-CD1 4.2Å; F694-I696 PolarHBondContact O-N 2.89Å; I696-G698 PolarHBondContact O-N 3.05Å; I696-H699 PolarHBondContact N-O 3.06Å; I696-H699 PolarHBondContact O-N 2.91Å; I696-C701 HydrophobicContact CG2-CB 4.11Å; I696-C701 WeakPolarHBondContact CG2-SG 3.41Å |
| 697 | S | 74.6 | Confident | 73.1 | Confident | 114 Ų | 114 | 81.5 Ų | 81.5 | 80% | 0.797 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 30.6 | 178.2 | -53.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 698 | G | 79.6 | Confident | 71.1 | Confident | 31 Ų | 31 | 86.5 Ų | 86.5 | 32% | 0.32 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 7.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q682 C683 I696 | Q682-G698 CarbonylContact C-O 3.6Å; Q682-G698 VanDerWaalsContact CA-O 3.32Å; Q682-G698 WeakPolarHBondContact CA-O 3.27Å; Q682-G698 VanDerWaalsContact CG-O 3.25Å; Q682-G698 WeakPolarHBondContact CG-O 3.28Å; C683-G698 PolarHBondContact N-O 3.1Å; C683-G698 PolarHBondContact SG-O 2.95Å; C683-G698 VanDerWaalsContact SG-O 3.41Å; I696-G698 PolarHBondContact O-N 3.05Å |
| 699 | H | 82.9 | Confident | 69.4 | Low | 45 Ų | 45 | 91 Ų | 91 | 21% | 0.208 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.6 | -179.8 | -66.7 | -81.7 | 0 | 0 | 0 | 113.6 | P679 Q681 C683 C695 I696 | P679-H699 HydrophobicContact CB-CB 3.5Å; P679-H699 HydrophobicContact CG-CB 4.39Å; Q681-H699 WeakPolarHBondContact O-CA 3.06Å; Q681-H699 PolarHBondContact O-ND1 3.23Å; Q681-H699 VanDerWaalsContact O-ND1 3.15Å; C683-H699 VanDerWaalsContact SG-C 3.59Å; C683-H699 VanDerWaalsContact SG-CA 3.59Å; C683-H699 PolarHBondContact SG-N 2.03Å; C695-H699 CarbonylContact C-O 3.53Å; C695-H699 WeakPolarHBondContact CA-O 3.04Å; I696-H699 PolarHBondContact N-O 3.06Å; I696-H699 PolarHBondContact O-N 2.91Å |
| 700 | C | 87.2 | Confident | 67.7 | Low | 0 Ų | 0 | 95.6 Ų | 95.6 | 0% | 0 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.9 | 125.3 | -168.7 | -59.9 | 0 | 0 | 0 | 0 | 115.6 | C673 L680 Q681 C689 F693 F694 | C673-C700 PolarHBondContact SG-O 3.44Å; L680-C700 HydrophobicContact CB-CB 4.4Å; Q681-C700 PolarHBondContact O-N 3.28Å; C689-C700 VanDerWaalsContact CA-SG 3.59Å; C689-C700 HydrophobicContact CB-CB 3.76Å; C689-C700 WeakPolarHBondContact CB-SG 3.39Å; C689-C700 WeakPolarHBondContact SG-CA 3.42Å; C689-C700 WeakPolarHBondContact SG-CB 3Å; C689-C700 CovalentContact SG-SG 2.04Å; C689-C700 PolarHBondContact SG-SG 2.03Å; F693-C700 HydrophobicContact CB-CB 3.87Å; F693-C700 HydrophobicContact CD1-CB 4.42Å; F693-C700 HydrophobicContact CG-CB 4.36Å; F694-C700 WeakPolarHBondContact O-CA 3.06Å |
| 701 | C | 82.4 | Confident | 65.6 | Low | 2 Ų | 2 | 97.7 Ų | 97.7 | 1% | 0.014 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -147.1 | -176 | -170.7 | -51.9 | 0 | 0 | 0 | 0 | 116.8 | C673 P674 F693 F694 I696 | C673-C701 VanDerWaalsContact CA-SG 3.52Å; C673-C701 HydrophobicContact CB-CB 3.67Å; C673-C701 WeakPolarHBondContact CB-SG 3.32Å; C673-C701 WeakPolarHBondContact SG-CB 3.47Å; C673-C701 CovalentContact SG-SG 2.04Å; C673-C701 PolarHBondContact SG-SG 2.83Å; P674-C701 HydrophobicContact CG-CB 4.5Å; F693-C701 CarbonylContact C-O 3.43Å; F693-C701 VanDerWaalsContact CA-O 3.24Å; F693-C701 WeakPolarHBondContact CA-O 3.43Å; F694-C701 WeakPolarHBondContact CD1-O 3.31Å; F694-C701 PolarHBondContact N-O 2.87Å; F694-C701 PolarHBondContact O-N 3.38Å; I696-C701 HydrophobicContact CG2-CB 4.11Å; I696-C701 WeakPolarHBondContact CG2-SG 3.41Å |
| 702 | E | 80.2 | Confident | 64.1 | Low | 102 Ų | 102 | 97.8 Ų | 97.8 | 48% | 0.477 | 58% | 0.577 | S | S | . | * | trans | -123.6 | 162.2 | -163.4 | -156.4 | 169.3 | -169.2 | 0 | 0 | 116.1 | K677 F694 | K677-E702 IonicContact NZ-OE2 2.68Å; K677-E702 PolarHBondContact NZ-OE2 2.85Å; F694-E702 WeakPolarHBondContact CE1-O 3Å | ||
| 703 | R | 65.1 | Low | 63.4 | Low | 212 Ų | 212 | 100.5 Ų | 100.5 | 80% | 0.8 | 58% | 0.581 | S | S | * | * | trans | -138.1 | 135 | -141.6 | -150.9 | -177.1 | -159.3 | -166.9 | 6.7 | 122 | F694 | F694-R703 HydrophobicContact CD1-CB 4.08Å; F694-R703 HydrophobicContact CD1-CG 4.05Å; F694-R703 HydrophobicContact CE1-CB 3.73Å; F694-R703 HydrophobicContact CE1-CG 3.74Å | ||
| 704 | P | 51.8 | Low | 62.7 | Low | 125 Ų | 125 | 98.8 Ų | 98.8 | 81% | 0.812 | 58% | 0.578 | S | S | * | * | trans | -135.1 | -170.6 | 178.5 | 31.3 | -8.5 | 0 | 0 | 0 | 121.8 | ||||
| 705 | H | 45.1 | Very low | 62.1 | Low | 197 Ų | 197 | 98.8 Ų | 98.8 | 91% | 0.912 | 58% | 0.584 | S | S | * | * | trans | -133.3 | 0 | -163.2 | -88.1 | -102.9 | 0 | 0 | 0 | 121.4 | ||||
| 706 | V | 39.1 | Very low | 61.2 | Low | 133 Ų | 133 | 104.2 Ų | 104.2 | 81% | 0.806 | 61% | 0.608 | S | S | * | * | 0 | 171.1 | 0 | -139.5 | 0 | 0 | 0 | 0 | 124 | |||||
| 707 | T | 38.1 | Very low | 60.6 | Low | 140 Ų | 140 | 109 Ų | 109 | 86% | 0.859 | 63% | 0.633 | S | S | * | * | trans | 111.4 | 0 | 147.8 | 36.1 | 0 | 0 | 0 | 0 | 129.8 | ||||
| 708 | V | 35.5 | Very low | 60.5 | Low | 144 Ų | 144 | 105.8 Ų | 105.8 | 87% | 0.873 | 61% | 0.607 | S | S | * | * | 0 | 0 | 0 | -179.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 709 | P | 46.7 | Very low | 59.9 | Low | 118 Ų | 118 | 108 Ų | 108 | 77% | 0.766 | 61% | 0.611 | S | S | * | * | 0 | 0 | 0 | 44.4 | -26.4 | 0 | 0 | 0 | 125 | |||||
| 710 | P | 48.5 | Very low | 59.2 | Low | 131 Ų | 131 | 109.5 Ų | 109.5 | 85% | 0.851 | 62% | 0.624 | S | S | * | * | 0 | 157.8 | 0 | 43.4 | -22.6 | 0 | 0 | 0 | 127.4 | |||||
| 711 | A | 39.1 | Very low | 58.1 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | trans | 65.1 | 0 | 140.9 | 0 | 0 | 0 | 0 | 0 | 133.6 | ||||
| 712 | T | 48.7 | Very low | 57 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 94% | 0.939 | 66% | 0.66 | S | S | * | * | 0 | -178.4 | 0 | 22 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 713 | V | 61 | Low | 56 | Low | 120 Ų | 120 | 116.2 Ų | 116.2 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | trans | -133.6 | -119 | -166 | -153.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 714 | C | 67.6 | Low | 56.4 | Low | 43 Ų | 43 | 106.8 Ų | 106.8 | 29% | 0.291 | 64% | 0.635 | S | S | . | * | S | Bend | trans | -49.7 | 151.3 | -165.6 | -102.2 | 0 | 0 | 0 | 0 | 112.4 | C743 | C714-C743 WeakPolarHBondContact CB-SG 3.4Å; C714-C743 WeakPolarHBondContact SG-CB 3.35Å; C714-C743 CovalentContact SG-SG 2.13Å; C714-C743 PolarHBondContact SG-SG 2.85Å |
| 715 | P | 69.9 | Low | 57 | Low | 59 Ų | 59 | 102.8 Ų | 102.8 | 38% | 0.383 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 143.8 | 178.6 | 27.7 | -35.1 | 0 | 0 | 0 | 113.3 | M718 | P715-M718 HydrophobicContact CG-SD 4.34Å; P715-M718 PolarHBondContact O-N 2.98Å |
| 716 | I | 64.2 | Low | 57.6 | Low | 160 Ų | 160 | 103.1 Ų | 103.1 | 82% | 0.821 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 143.1 | -178.5 | -46.2 | 176.1 | 0 | 0 | 0 | 110.2 | M718 | I716-M718 VanDerWaalsContact C-N 3.31Å; I716-M718 PolarHBondContact O-N 2.78Å |
| 717 | L | 66.2 | Low | 58.1 | Low | 162 Ų | 162 | 103.2 Ų | 103.2 | 85% | 0.848 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.9 | -2.9 | -175.2 | -49.8 | 176.5 | 0 | 0 | 0 | 116.6 | ||
| 718 | M | 70.8 | Confident | 58.8 | Low | 47 Ų | 47 | 103.5 Ų | 103.5 | 23% | 0.232 | 61% | 0.605 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 138 | 172 | -53.2 | -166.8 | 86.9 | 0 | 0 | 111.7 | P715 I716 I736 C743 A744 P745 | P715-M718 HydrophobicContact CG-SD 4.34Å; P715-M718 PolarHBondContact O-N 2.98Å; I716-M718 VanDerWaalsContact C-N 3.31Å; I716-M718 PolarHBondContact O-N 2.78Å; M718-I736 HydrophobicContact CE-CB 4.49Å; M718-I736 HydrophobicContact CE-CD1 4.2Å; M718-I736 HydrophobicContact CE-CG1 4.38Å; M718-C743 HydrophobicContact CB-CB 3.51Å; M718-C743 VanDerWaalsContact CE-O 3.29Å; M718-C743 WeakPolarHBondContact CE-O 3.24Å; M718-C743 HydrophobicContact SD-CB 4.47Å; M718-A744 WeakPolarHBondContact CA-O 3.29Å; M718-P745 HydrophobicContact CE-CG 4.41Å |
| 719 | I | 66.8 | Low | 60.1 | Low | 79 Ų | 79 | 104.1 Ų | 104.1 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 133.8 | 177.2 | 45 | 170.9 | 0 | 0 | 0 | 110.8 | V721 C743 A744 | I719-V721 PolarHBondContact O-N 3.38Å; I719-C743 CarbonylContact O-C 3.54Å; I719-C743 VanDerWaalsContact O-CA 3.31Å; I719-C743 WeakPolarHBondContact O-CA 3.43Å; I719-A744 WeakPolarHBondContact CG1-O 3.07Å; I719-A744 PolarHBondContact N-O 2.97Å; I719-A744 PolarHBondContact O-N 3.43Å |
| 720 | P | 69.5 | Low | 61 | Low | 76 Ų | 76 | 101.2 Ų | 101.2 | 49% | 0.494 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.8 | 121.3 | 176.3 | 28.1 | -34 | 0 | 0 | 0 | 110.7 | Y741 | P720-Y741 HydrophobicContact CB-CD1 4.06Å; P720-Y741 HydrophobicContact CB-CG 4.17Å |
| 721 | V | 64.8 | Low | 61.9 | Low | 71 Ų | 71 | 96.6 Ų | 96.6 | 43% | 0.43 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | -37.9 | -177.5 | -177.4 | 0 | 0 | 0 | 0 | 112 | I719 C742 A744 | I719-V721 PolarHBondContact O-N 3.38Å; V721-C742 PolarHBondContact N-O 2.9Å; V721-A744 HydrophobicContact CG2-CB 3.43Å; V721-A744 VanDerWaalsContact CG2-CB 3.43Å |
| 722 | C | 57.9 | Low | 63.4 | Low | 50 Ų | 50 | 95.4 Ų | 95.4 | 34% | 0.338 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 172.3 | 177.7 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | Y741 C742 | C722-Y741 CarbonylContact O-C 3.47Å; C722-Y741 WeakPolarHBondContact O-CA 3.38Å; C722-C742 PolarHBondContact O-N 3.24Å; C722-C742 VanDerWaalsContact SG-SG 3.64Å |
| 723 | L | 59.1 | Low | 64 | Low | 123 Ų | 123 | 96.5 Ų | 96.5 | 64% | 0.644 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 146.5 | 165.5 | -69.6 | 166.1 | 0 | 0 | 0 | 109.6 | G740 Y741 | L723-G740 WeakPolarHBondContact CA-O 3.3Å; L723-G740 WeakPolarHBondContact CD2-O 3.27Å; L723-Y741 HydrophobicContact CD2-CD1 3.88Å; L723-Y741 HydrophobicContact CD2-CE1 3.68Å |
| 724 | C | 74.4 | Confident | 64.3 | Low | 14 Ų | 14 | 96 Ų | 96 | 10% | 0.095 | 54% | 0.538 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 144.6 | 174 | -41.5 | 0 | 0 | 0 | 0 | 110.4 | Q726 C737 G740 Y741 | C724-Q726 PolarHBondContact O-N 3.46Å; C724-C737 HydrophobicContact CB-CB 3.93Å; C724-C737 WeakPolarHBondContact CB-SG 3.45Å; C724-C737 WeakPolarHBondContact SG-CA 3.02Å; C724-C737 WeakPolarHBondContact SG-CB 3.04Å; C724-C737 CovalentContact SG-SG 2.03Å; C724-C737 PolarHBondContact SG-SG 2.04Å; C724-G740 PolarHBondContact N-O 2.98Å; C724-G740 PolarHBondContact SG-O 3.43Å; C724-G740 VanDerWaalsContact SG-O 3.35Å; C724-Y741 VanDerWaalsContact SG-C 3.56Å |
| 725 | A | 64.5 | Low | 64.6 | Low | 42 Ų | 42 | 95 Ų | 95 | 35% | 0.347 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 128.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | I727 F729 A730 | A725-I727 WeakPolarHBondContact CB-O 2.99Å; A725-I727 CarbonylContact O-C 3.54Å; A725-I727 PolarHBondContact O-N 3.32Å; A725-F729 VanDerWaalsContact O-CA 3.29Å; A725-F729 WeakPolarHBondContact O-CA 3.42Å; A725-F729 PolarHBondContact O-N 3.4Å; A725-F729 VanDerWaalsContact O-N 3.09Å; A725-A730 HydrophobicContact CB-CB 4.06Å; A725-A730 WeakPolarHBondContact CB-O 3.41Å; A725-A730 PolarHBondContact N-O 2.03Å |
| 726 | Q | 57.3 | Low | 65.2 | Low | 203 Ų | 203 | 97 Ų | 97 | 95% | 0.949 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -12.8 | -178.8 | -67.9 | -164.6 | -41.1 | 0 | 0 | 113.7 | C724 | C724-Q726 PolarHBondContact O-N 3.46Š|
| 727 | I | 49.4 | Very low | 65.8 | Low | 136 Ų | 136 | 91.5 Ų | 91.5 | 70% | 0.697 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 126.4 | 167.9 | -57.3 | 175.9 | 0 | 0 | 0 | 106.9 | A725 F729 | A725-I727 WeakPolarHBondContact CB-O 2.99Å; A725-I727 CarbonylContact O-C 3.54Å; A725-I727 PolarHBondContact O-N 3.32Å; I727-F729 VanDerWaalsContact C-N 3.3Å; I727-F729 PolarHBondContact O-N 3.24Å |
| 728 | N | 52.9 | Low | 66.4 | Low | 146 Ų | 146 | 85.8 Ų | 85.8 | 78% | 0.781 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 9 | 178.5 | -55.5 | -18.7 | 0 | 0 | 0 | 117.7 | A730 | N728-A730 PolarHBondContact O-N 3.09Š|
| 729 | F | 63.1 | Low | 66.5 | Low | 157 Ų | 157 | 87.9 Ų | 87.9 | 69% | 0.689 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 22.7 | -179.9 | -59.3 | -80.4 | 0 | 0 | 0 | 114.5 | A725 I727 | A725-F729 VanDerWaalsContact O-CA 3.29Å; A725-F729 WeakPolarHBondContact O-CA 3.42Å; A725-F729 PolarHBondContact O-N 3.4Å; A725-F729 VanDerWaalsContact O-N 3.09Å; I727-F729 VanDerWaalsContact C-N 3.3Å; I727-F729 PolarHBondContact O-N 3.24Å |
| 730 | A | 65.3 | Low | 66.7 | Low | 57 Ų | 57 | 86 Ų | 86 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | trans | -67.6 | 145.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A725 N728 | A725-A730 HydrophobicContact CB-CB 4.06Å; A725-A730 WeakPolarHBondContact CB-O 3.41Å; A725-A730 PolarHBondContact N-O 2.03Å; N728-A730 PolarHBondContact O-N 3.09Å | ||
| 731 | C | 66.9 | Low | 66.9 | Low | 34 Ų | 34 | 87.7 Ų | 87.7 | 23% | 0.23 | 50% | 0.501 | C | S | . | . | trans | -129.6 | 154.9 | 176.5 | -70.6 | 0 | 0 | 0 | 0 | 108.9 | S735 C737 C742 | C731-S735 WeakPolarHBondContact CB-OG 3.43Å; C731-C737 PolarHBondContact SG-N 3.26Å; C731-C742 VanDerWaalsContact CA-SG 3.54Å; C731-C742 HydrophobicContact CB-CB 3.74Å; C731-C742 WeakPolarHBondContact CB-SG 2.99Å; C731-C742 WeakPolarHBondContact SG-CB 3.41Å; C731-C742 CovalentContact SG-SG 2.03Å; C731-C742 PolarHBondContact SG-SG 3.4Å | ||
| 732 | P | 70.5 | Confident | 67.3 | Low | 72 Ų | 72 | 84.3 Ų | 84.3 | 47% | 0.468 | 48% | 0.481 | S | S | . | . | trans | -60.5 | 152 | 175.1 | 24.3 | -32 | 0 | 0 | 0 | 111.5 | S734 S735 | P732-S734 PolarHBondContact O-N 2.94Å; P732-S735 WeakPolarHBondContact CD-OG 3.1Å; P732-S735 WeakPolarHBondContact CG-OG 3.23Å; P732-S735 PolarHBondContact O-N 2.98Å; P732-S735 VanDerWaalsContact O-N 3.08Å; P732-S735 PolarHBondContact O-OG 2.95Å | ||
| 733 | L | 61.9 | Low | 68.4 | Low | 175 Ų | 175 | 81.9 Ų | 81.9 | 92% | 0.916 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | 132.5 | 177.7 | -77.5 | 162.6 | 0 | 0 | 0 | 110.9 | ||
| 734 | S | 66.2 | Low | 69 | Low | 111 Ų | 111 | 76.5 Ų | 76.5 | 78% | 0.776 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 18 | -173 | 82.9 | 0 | 0 | 0 | 0 | 118.4 | P732 P745 | P732-S734 PolarHBondContact O-N 2.94Å; S734-P745 WeakPolarHBondContact O-CD 2.99Å |
| 735 | S | 76 | Confident | 68.8 | Low | 20 Ų | 20 | 80.3 Ų | 80.3 | 14% | 0.14 | 46% | 0.462 | C | S | . | . | trans | -130.2 | 157.5 | 171.7 | 64.9 | 0 | 0 | 0 | 0 | 114 | C731 P732 | C731-S735 WeakPolarHBondContact CB-OG 3.43Å; P732-S735 WeakPolarHBondContact CD-OG 3.1Å; P732-S735 WeakPolarHBondContact CG-OG 3.23Å; P732-S735 PolarHBondContact O-N 2.98Å; P732-S735 VanDerWaalsContact O-N 3.08Å; P732-S735 PolarHBondContact O-OG 2.95Å | ||
| 736 | I | 80.6 | Confident | 68.2 | Low | 102 Ų | 102 | 79.9 Ų | 79.9 | 52% | 0.523 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.8 | -170 | -56.7 | 178 | 0 | 0 | 0 | 111.1 | M718 T738 C742 C743 | M718-I736 HydrophobicContact CE-CB 4.49Å; M718-I736 HydrophobicContact CE-CD1 4.2Å; M718-I736 HydrophobicContact CE-CG1 4.38Å; I736-T738 PolarHBondContact O-N 2.86Å; I736-C742 CarbonylContact O-C 3.5Å; I736-C742 WeakPolarHBondContact O-CA 3.34Å; I736-C743 PolarHBondContact N-O 2.98Å; I736-C743 PolarHBondContact O-N 3.24Å |
| 737 | C | 77.8 | Confident | 67.8 | Low | 44 Ų | 44 | 77.6 Ų | 77.6 | 30% | 0.297 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 120.4 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | C724 C731 Y741 | C724-C737 HydrophobicContact CB-CB 3.93Å; C724-C737 WeakPolarHBondContact CB-SG 3.45Å; C724-C737 WeakPolarHBondContact SG-CA 3.02Å; C724-C737 WeakPolarHBondContact SG-CB 3.04Å; C724-C737 CovalentContact SG-SG 2.03Å; C724-C737 PolarHBondContact SG-SG 2.04Å; C731-C737 PolarHBondContact SG-N 3.26Å; C737-Y741 CarbonylContact C-O 3.51Å; C737-Y741 WeakPolarHBondContact CA-O 3.25Å |
| 738 | T | 78.8 | Confident | 67.7 | Low | 43 Ų | 43 | 73.8 Ų | 73.8 | 26% | 0.264 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 128.3 | 172.9 | -51.9 | 0 | 0 | 0 | 0 | 109.3 | I736 G740 Y741 | I736-T738 PolarHBondContact O-N 2.86Å; T738-G740 PolarHBondContact O-N 2.83Å; T738-Y741 PolarHBondContact N-O 2.96Å; T738-Y741 PolarHBondContact O-N 2.91Å; T738-Y741 VanDerWaalsContact O-O 3.06Å |
| 739 | S | 72.8 | Confident | 67.4 | Low | 91 Ų | 91 | 74.9 Ų | 74.9 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 31.8 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 115.2 | Y741 | S739-Y741 WeakPolarHBondContact O-CD2 3.49Š|
| 740 | G | 71.1 | Confident | 66.4 | Low | 38 Ų | 38 | 76.5 Ų | 76.5 | 39% | 0.392 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -6.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L723 C724 T738 | L723-G740 WeakPolarHBondContact CA-O 3.3Å; L723-G740 WeakPolarHBondContact CD2-O 3.27Å; C724-G740 PolarHBondContact N-O 2.98Å; C724-G740 PolarHBondContact SG-O 3.43Å; C724-G740 VanDerWaalsContact SG-O 3.35Å; T738-G740 PolarHBondContact O-N 2.83Å |
| 741 | Y | 72.8 | Confident | 65.3 | Low | 112 Ų | 112 | 79.2 Ų | 79.2 | 44% | 0.439 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139 | -179.4 | -59.1 | -90 | 0 | 0 | 0 | 112 | P720 C722 L723 C724 C737 T738 S739 C743 | P720-Y741 HydrophobicContact CB-CD1 4.06Å; P720-Y741 HydrophobicContact CB-CG 4.17Å; C722-Y741 CarbonylContact O-C 3.47Å; C722-Y741 WeakPolarHBondContact O-CA 3.38Å; L723-Y741 HydrophobicContact CD2-CD1 3.88Å; L723-Y741 HydrophobicContact CD2-CE1 3.68Å; C724-Y741 VanDerWaalsContact SG-C 3.56Å; C737-Y741 CarbonylContact C-O 3.51Å; C737-Y741 WeakPolarHBondContact CA-O 3.25Å; T738-Y741 PolarHBondContact N-O 2.96Å; T738-Y741 PolarHBondContact O-N 2.91Å; T738-Y741 VanDerWaalsContact O-O 3.06Å; S739-Y741 WeakPolarHBondContact O-CD2 3.49Å; Y741-C743 VanDerWaalsContact C-N 3.34Å; Y741-C743 PolarHBondContact O-N 3.46Å |
| 742 | C | 74.2 | Confident | 64 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 84.8 | 165.9 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | V721 C722 C731 I736 | V721-C742 PolarHBondContact N-O 2.9Å; C722-C742 PolarHBondContact O-N 3.24Å; C722-C742 VanDerWaalsContact SG-SG 3.64Å; C731-C742 VanDerWaalsContact CA-SG 3.54Å; C731-C742 HydrophobicContact CB-CB 3.74Å; C731-C742 WeakPolarHBondContact CB-SG 2.99Å; C731-C742 WeakPolarHBondContact SG-CB 3.41Å; C731-C742 CovalentContact SG-SG 2.03Å; C731-C742 PolarHBondContact SG-SG 3.4Å; I736-C742 CarbonylContact O-C 3.5Å; I736-C742 WeakPolarHBondContact O-CA 3.34Å |
| 743 | C | 80.5 | Confident | 62.7 | Low | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135.3 | 170.5 | -24.7 | 0 | 0 | 0 | 0 | 107.6 | C714 M718 I719 I736 Y741 | C714-C743 WeakPolarHBondContact CB-SG 3.4Å; C714-C743 WeakPolarHBondContact SG-CB 3.35Å; C714-C743 CovalentContact SG-SG 2.13Å; C714-C743 PolarHBondContact SG-SG 2.85Å; M718-C743 HydrophobicContact CB-CB 3.51Å; M718-C743 VanDerWaalsContact CE-O 3.29Å; M718-C743 WeakPolarHBondContact CE-O 3.24Å; M718-C743 HydrophobicContact SD-CB 4.47Å; I719-C743 CarbonylContact O-C 3.54Å; I719-C743 VanDerWaalsContact O-CA 3.31Å; I719-C743 WeakPolarHBondContact O-CA 3.43Å; I736-C743 PolarHBondContact N-O 2.98Å; I736-C743 PolarHBondContact O-N 3.24Å; Y741-C743 VanDerWaalsContact C-N 3.34Å; Y741-C743 PolarHBondContact O-N 3.46Å |
| 744 | A | 71.6 | Confident | 61.5 | Low | 10 Ų | 10 | 80.8 Ų | 80.8 | 8% | 0.083 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M718 I719 V721 G746 | M718-A744 WeakPolarHBondContact CA-O 3.29Å; I719-A744 WeakPolarHBondContact CG1-O 3.07Å; I719-A744 PolarHBondContact N-O 2.97Å; I719-A744 PolarHBondContact O-N 3.43Å; V721-A744 HydrophobicContact CG2-CB 3.43Å; V721-A744 VanDerWaalsContact CG2-CB 3.43Å; A744-G746 PolarHBondContact O-N 3.08Å |
| 745 | P | 69.8 | Low | 60.3 | Low | 94 Ų | 94 | 79.9 Ų | 79.9 | 61% | 0.61 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 117.6 | 177.3 | -11.6 | 28.2 | 0 | 0 | 0 | 111.8 | M718 S734 | M718-P745 HydrophobicContact CE-CG 4.41Å; S734-P745 WeakPolarHBondContact O-CD 2.99Å |
| 746 | G | 52.3 | Low | 58.8 | Low | 33 Ų | 33 | 88.3 Ų | 88.3 | 34% | 0.34 | 53% | 0.532 | S | S | . | . | trans | -96.7 | 124.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A744 C748 | A744-G746 PolarHBondContact O-N 3.08Å; G746-C748 PolarHBondContact O-N 3.24Å | ||
| 747 | M | 49.2 | Very low | 56.7 | Low | 154 Ų | 154 | 88.5 Ų | 88.5 | 76% | 0.759 | 54% | 0.543 | S | S | * | . | trans | -79.1 | 112.8 | 163.8 | -69.6 | -146.7 | -58.6 | 0 | 0 | 109.4 | ||||
| 748 | C | 47.9 | Very low | 55.2 | Low | 56 Ų | 56 | 91 Ų | 91 | 38% | 0.378 | 56% | 0.557 | S | S | . | * | trans | -119.1 | 105.3 | -173 | -60.8 | 0 | 0 | 0 | 0 | 110 | G746 T758 C760 | G746-C748 PolarHBondContact O-N 3.24Å; C748-T758 HydrophobicContact CB-CG2 3.7Å; C748-C760 HydrophobicContact CB-CB 4.1Å; C748-C760 WeakPolarHBondContact CB-SG 3.35Å; C748-C760 WeakPolarHBondContact SG-CB 2.99Å; C748-C760 CovalentContact SG-SG 2.04Å; C748-C760 PolarHBondContact SG-SG 2.95Å | ||
| 749 | F | 46.1 | Very low | 53.3 | Low | 170 Ų | 170 | 95.2 Ų | 95.2 | 75% | 0.746 | 58% | 0.577 | S | S | * | * | trans | -78.8 | 127.4 | 179 | -66.7 | -84.6 | 0 | 0 | 0 | 110.8 | S751 | F749-S751 PolarHBondContact O-N 2.86Š| ||
| 750 | K | 41.1 | Very low | 51.8 | Low | 191 Ų | 191 | 93.2 Ų | 93.2 | 83% | 0.83 | 56% | 0.562 | S | S | * | * | trans | -79.1 | 115.6 | 171.1 | -76.7 | -175.3 | 175.1 | -179.6 | 0 | 110.1 | ||||
| 751 | S | 42.2 | Very low | 50.3 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 80% | 0.797 | 58% | 0.576 | S | S | * | * | trans | -77.1 | 137.8 | 157.2 | -171.9 | 0 | 0 | 0 | 0 | 109.4 | F749 G753 | F749-S751 PolarHBondContact O-N 2.86Å; S751-G753 PolarHBondContact O-N 3.24Å | ||
| 752 | N | 40.8 | Very low | 48.4 | Very low | 165 Ų | 165 | 98.2 Ų | 98.2 | 88% | 0.882 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -85.4 | 87.1 | 178.3 | -82.8 | -22 | 0 | 0 | 0 | 110.8 | ||
| 753 | G | 42.5 | Very low | 46.5 | Very low | 69 Ų | 69 | 102.9 Ų | 102.9 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 157.5 | 118.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S751 | S751-G753 PolarHBondContact O-N 3.24Š|
| 754 | G | 37.4 | Very low | 44.2 | Very low | 80 Ų | 80 | 108.7 Ų | 108.7 | 83% | 0.825 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 92.3 | 136.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 755 | A | 40.2 | Very low | 42.4 | Very low | 91 Ų | 91 | 113.7 Ų | 113.7 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -65.6 | 140.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S757 | A755-S757 PolarHBondContact O-N 3.39Š|
| 756 | H | 44 | Very low | 40.6 | Very low | 198 Ų | 198 | 113.9 Ų | 113.9 | 92% | 0.917 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 70 | 23.8 | 148.5 | -78.4 | -109.3 | 0 | 0 | 0 | 120.8 | ||
| 757 | S | 38.2 | Very low | 39.6 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -124.5 | 107.8 | 159.8 | -166.6 | 0 | 0 | 0 | 0 | 112.2 | A755 | A755-S757 PolarHBondContact O-N 3.39Š| ||
| 758 | T | 44.4 | Very low | 39 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 60% | 0.595 | 71% | 0.711 | S | S | * | * | trans | -100.1 | 97.1 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 109.6 | C748 C760 | C748-T758 HydrophobicContact CB-CG2 3.7Å; T758-C760 PolarHBondContact O-N 2.87Å; T758-C760 VanDerWaalsContact O-N 3.1Å | ||
| 759 | L | 39.4 | Very low | 38.6 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 69% | 0.686 | 73% | 0.728 | S | S | * | * | trans | -81.8 | 87.1 | -175.6 | -162.7 | 79.5 | 0 | 0 | 0 | 111.5 | V761 | L759-V761 HydrophobicContact CD2-CG2 3.86Å; L759-V761 HydrophobicContact CG-CG2 3.75Å | ||
| 760 | C | 41.6 | Very low | 38.8 | Very low | 48 Ų | 48 | 115.8 Ų | 115.8 | 32% | 0.324 | 73% | 0.725 | S | S | . | * | trans | -87.9 | 109.3 | 171.3 | -35.6 | 0 | 0 | 0 | 0 | 109 | C748 T758 | C748-C760 HydrophobicContact CB-CB 4.1Å; C748-C760 WeakPolarHBondContact CB-SG 3.35Å; C748-C760 WeakPolarHBondContact SG-CB 2.99Å; C748-C760 CovalentContact SG-SG 2.04Å; C748-C760 PolarHBondContact SG-SG 2.95Å; T758-C760 PolarHBondContact O-N 2.87Å; T758-C760 VanDerWaalsContact O-N 3.1Å | ||
| 761 | V | 40.4 | Very low | 39.5 | Very low | 111 Ų | 111 | 109 Ų | 109 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | trans | -105.3 | 123 | -174.4 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | L759 | L759-V761 HydrophobicContact CD2-CG2 3.86Å; L759-V761 HydrophobicContact CG-CG2 3.75Å | ||
| 762 | L | 32.6 | Very low | 39.8 | Very low | 144 Ų | 144 | 105.6 Ų | 105.6 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 142.7 | 167.9 | -75.7 | 166.9 | 0 | 0 | 0 | 110.3 | ||
| 763 | A | 34.6 | Very low | 40.4 | Very low | 98 Ų | 98 | 99.9 Ų | 99.9 | 81% | 0.81 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 764 | S | 30.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 96.9 Ų | 96.9 | 86% | 0.86 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 139.6 | -171.6 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 765 | S | 34.4 | Very low | 42 | Very low | 115 Ų | 115 | 94.8 Ų | 94.8 | 80% | 0.804 | 59% | 0.59 | S | S | * | * | trans | -130.6 | 110.6 | 166.1 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 766 | T | 33.2 | Very low | 43.5 | Very low | 98 Ų | 98 | 95 Ų | 95 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | trans | -76 | 135.5 | 177.3 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | F768 | T766-F768 WeakPolarHBondContact O-CD2 3.37Å; T766-F768 PolarHBondContact O-N 3.07Å; T766-F768 WeakPolarHBondContact OG1-CE2 3.26Å; T766-F768 WeakPolarHBondContact OG1-CZ 3Å | ||
| 767 | S | 31.5 | Very low | 44.8 | Very low | 127 Ų | 127 | 85.7 Ų | 85.7 | 89% | 0.888 | 54% | 0.543 | S | S | * | . | trans | -69.1 | 90.2 | 173.2 | 48.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 768 | F | 36.6 | Very low | 46.8 | Very low | 80 Ų | 80 | 88.1 Ų | 88.1 | 35% | 0.351 | 54% | 0.543 | S | S | . | . | trans | -74 | 128.3 | 177.8 | -78.1 | -71.1 | 0 | 0 | 0 | 112.2 | T766 M770 S781 Q782 | T766-F768 WeakPolarHBondContact O-CD2 3.37Å; T766-F768 PolarHBondContact O-N 3.07Å; T766-F768 WeakPolarHBondContact OG1-CE2 3.26Å; T766-F768 WeakPolarHBondContact OG1-CZ 3Å; F768-M770 PolarHBondContact O-N 2.86Å; F768-S781 WeakPolarHBondContact CB-O 2.94Å; F768-S781 WeakPolarHBondContact CD2-O 3.49Å; F768-S781 WeakPolarHBondContact CE2-OG 3.29Å; F768-S781 WeakPolarHBondContact CG-O 3.02Å; F768-S781 WeakPolarHBondContact CZ-OG 3.05Å; F768-Q782 HydrophobicContact CD1-CB 4.37Å; F768-Q782 HydrophobicContact CD1-CG 3.5Å; F768-Q782 VanDerWaalsContact CD1-CG 3.5Å; F768-Q782 HydrophobicContact CE1-CG 3.44Å; F768-Q782 VanDerWaalsContact CE1-CG 3.44Å; F768-Q782 HydrophobicContact CG-CG 4.28Å; F768-Q782 HydrophobicContact CZ-CG 4.18Å | ||
| 769 | S | 38.3 | Very low | 48.6 | Very low | 105 Ų | 105 | 86.5 Ų | 86.5 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | trans | -64.5 | 112.5 | 158.7 | 36 | 0 | 0 | 0 | 0 | 108.9 | L771 | S769-L771 PolarHBondContact O-N 3.4Å; S769-L771 VanDerWaalsContact O-N 3.1Å | ||
| 770 | M | 50.2 | Low | 50.3 | Low | 141 Ų | 141 | 81.8 Ų | 81.8 | 70% | 0.695 | 51% | 0.511 | S | S | * | . | trans | -69.1 | 107.5 | -173.6 | -71.8 | -167.8 | -151.4 | 0 | 0 | 111.9 | F768 A784 | F768-M770 PolarHBondContact O-N 2.86Å; M770-A784 HydrophobicContact CB-CB 3.97Å | ||
| 771 | L | 55.6 | Low | 52 | Low | 49 Ų | 49 | 81.7 Ų | 81.7 | 26% | 0.257 | 51% | 0.511 | S | S | . | . | B | Isolated β-bridge | trans | -62.9 | 134.8 | 173.1 | -63.4 | 177.2 | 0 | 0 | 0 | 111 | S769 S776 C777 Q782 A784 | S769-L771 PolarHBondContact O-N 3.4Å; S769-L771 VanDerWaalsContact O-N 3.1Å; L771-S776 WeakPolarHBondContact CD1-O 3.24Å; L771-C777 HydrophobicContact CD1-CB 3.81Å; L771-Q782 VanDerWaalsContact CB-O 3.27Å; L771-Q782 WeakPolarHBondContact CB-O 3.4Å; L771-Q782 HydrophobicContact CD1-CB 3.7Å; L771-Q782 HydrophobicContact CG-CB 4.19Å; L771-Q782 WeakPolarHBondContact CG-O 3.05Å; L771-Q782 PolarHBondContact N-O 2.96Å; L771-A784 VanDerWaalsContact O-CB 3.23Å; L771-A784 WeakPolarHBondContact O-CB 3.48Å; L771-A784 PolarHBondContact O-N 3.4Å |
| 772 | A | 48.7 | Very low | 53.1 | Low | 41 Ų | 41 | 78.2 Ų | 78.2 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 161 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S775 C797 | A772-S775 VanDerWaalsContact O-CB 3.25Å; A772-S775 WeakPolarHBondContact O-CB 3.5Å; A772-S775 PolarHBondContact O-N 2.03Å; A772-S775 PolarHBondContact O-OG 3.33Å; A772-C797 WeakPolarHBondContact O-CB 3.18Å |
| 773 | P | 53.1 | Low | 54.7 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 29% | 0.292 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 146.3 | 164.1 | -27.3 | 36.2 | 0 | 0 | 0 | 111.7 | S775 C797 Q825 | P773-S775 PolarHBondContact O-N 3.32Å; P773-C797 CarbonylContact C-O 3.53Å; P773-C797 WeakPolarHBondContact CA-O 3.42Å; P773-Q825 VanDerWaalsContact O-CD 3.25Å; P773-Q825 PolarHBondContact O-NE2 3.34Å; P773-Q825 PolarHBondContact O-OE1 3.33Å |
| 774 | G | 53.4 | Low | 55.8 | Low | 6 Ų | 6 | 68.5 Ų | 68.5 | 6% | 0.062 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | -16.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | R796 C797 Q825 | G774-R796 WeakPolarHBondContact O-CD 3.47Å; G774-R796 PolarHBondContact O-NH1 2.93Å; G774-C797 PolarHBondContact N-O 2.04Å; G774-Q825 VanDerWaalsContact CA-OE1 3.27Å |
| 775 | S | 60.2 | Low | 57.2 | Low | 37 Ų | 37 | 64 Ų | 64 | 26% | 0.259 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -64 | 149.1 | 173.8 | -66.1 | 0 | 0 | 0 | 0 | 112 | A772 P773 R796 C797 | A772-S775 VanDerWaalsContact O-CB 3.25Å; A772-S775 WeakPolarHBondContact O-CB 3.5Å; A772-S775 PolarHBondContact O-N 2.03Å; A772-S775 PolarHBondContact O-OG 3.33Å; P773-S775 PolarHBondContact O-N 3.32Å; S775-R796 CarbonylContact O-C 3.6Å; S775-R796 WeakPolarHBondContact O-CA 3.02Å; S775-C797 PolarHBondContact O-N 3.34Å |
| 776 | S | 71.8 | Confident | 58.6 | Low | 96 Ų | 96 | 64.1 Ų | 64.1 | 67% | 0.671 | 38% | 0.384 | S | S | * | . | B | Isolated β-bridge | trans | -70.7 | 126.4 | -177.8 | -51.8 | 0 | 0 | 0 | 0 | 112.2 | L771 S795 | L771-S776 WeakPolarHBondContact CD1-O 3.24Å; S776-S795 CarbonylContact C-O 3.56Å; S776-S795 VanDerWaalsContact CA-O 3.27Å; S776-S795 WeakPolarHBondContact CA-O 3.27Å |
| 777 | C | 71.5 | Confident | 60.2 | Low | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.014 | 38% | 0.38 | C | S | . | . | trans | -129.7 | 165.6 | -176.6 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | L771 Q782 C792 S795 R796 C797 | L771-C777 HydrophobicContact CD1-CB 3.81Å; C777-Q782 HydrophobicContact CB-CB 4.47Å; C777-C792 VanDerWaalsContact C-SG 3.53Å; C777-C792 HydrophobicContact CB-CB 3.96Å; C777-C792 WeakPolarHBondContact CB-SG 3.5Å; C777-C792 WeakPolarHBondContact SG-CA 3.31Å; C777-C792 WeakPolarHBondContact SG-CB 3.47Å; C777-C792 CovalentContact SG-SG 2.03Å; C777-C792 PolarHBondContact SG-SG 3.18Å; C777-S795 PolarHBondContact N-O 2.98Å; C777-S795 WeakPolarHBondContact O-CA 3.2Å; C777-S795 VanDerWaalsContact SG-C 3.53Å; C777-R796 VanDerWaalsContact SG-CA 3.58Å; C777-R796 PolarHBondContact SG-N 3.18Å; C777-R796 PolarHBondContact SG-O 2.89Å; C777-R796 VanDerWaalsContact SG-O 3.37Å; C777-C797 PolarHBondContact SG-N 2.88Å; C777-C797 VanDerWaalsContact SG-N 3.43Å | ||
| 778 | Q | 80.9 | Confident | 61.5 | Low | 156 Ų | 156 | 64.2 Ų | 64.2 | 73% | 0.729 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -117.9 | -35.5 | 172.6 | -60 | -68.4 | -90.9 | 0 | 0 | 111.6 | ||
| 779 | T | 81.8 | Confident | 62.8 | Low | 64 Ų | 64 | 65.2 Ų | 65.2 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -132.4 | 149.2 | 177.7 | 60 | 0 | 0 | 0 | 0 | 110.5 | S781 Q782 C792 | T779-S781 PolarHBondContact O-N 3.02Å; T779-S781 PolarHBondContact OG1-OG 3.46Å; T779-Q782 WeakPolarHBondContact O-CB 3.46Å; T779-Q782 PolarHBondContact O-N 2.03Å; T779-C792 VanDerWaalsContact C-CB 3.49Å |
| 780 | S | 76 | Confident | 64.2 | Low | 31 Ų | 31 | 60.4 Ų | 60.4 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -61.5 | -27.8 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 113.4 | Q782 C783 Y786 C792 | S780-Q782 PolarHBondContact O-N 2.81Å; S780-Q782 VanDerWaalsContact O-N 3.07Å; S780-C783 WeakPolarHBondContact O-CB 3.45Å; S780-C783 PolarHBondContact O-N 3.3Å; S780-Y786 VanDerWaalsContact C-CG 3.5Å; S780-Y786 WeakPolarHBondContact O-CB 3.42Å; S780-C792 PolarHBondContact OG-N 3.11Å |
| 781 | S | 77.2 | Confident | 65.5 | Low | 47 Ų | 47 | 57.1 Ų | 57.1 | 33% | 0.329 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -59.2 | -14.5 | 172.7 | 62.5 | 0 | 0 | 0 | 0 | 115.2 | F768 T779 | F768-S781 WeakPolarHBondContact CB-O 2.94Å; F768-S781 WeakPolarHBondContact CD2-O 3.49Å; F768-S781 WeakPolarHBondContact CE2-OG 3.29Å; F768-S781 WeakPolarHBondContact CG-O 3.02Å; F768-S781 WeakPolarHBondContact CZ-OG 3.05Å; T779-S781 PolarHBondContact O-N 3.02Å; T779-S781 PolarHBondContact OG1-OG 3.46Å |
| 782 | Q | 62.9 | Low | 66.5 | Low | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -82.7 | -14.9 | 175.2 | -64.8 | 167.4 | -1.7 | 0 | 0 | 112.5 | F768 L771 C777 T779 S780 | F768-Q782 HydrophobicContact CD1-CB 4.37Å; F768-Q782 HydrophobicContact CD1-CG 3.5Å; F768-Q782 VanDerWaalsContact CD1-CG 3.5Å; F768-Q782 HydrophobicContact CE1-CG 3.44Å; F768-Q782 VanDerWaalsContact CE1-CG 3.44Å; F768-Q782 HydrophobicContact CG-CG 4.28Å; F768-Q782 HydrophobicContact CZ-CG 4.18Å; L771-Q782 VanDerWaalsContact CB-O 3.27Å; L771-Q782 WeakPolarHBondContact CB-O 3.4Å; L771-Q782 HydrophobicContact CD1-CB 3.7Å; L771-Q782 HydrophobicContact CG-CB 4.19Å; L771-Q782 WeakPolarHBondContact CG-O 3.05Å; L771-Q782 PolarHBondContact N-O 2.96Å; C777-Q782 HydrophobicContact CB-CB 4.47Å; T779-Q782 WeakPolarHBondContact O-CB 3.46Å; T779-Q782 PolarHBondContact O-N 2.03Å; S780-Q782 PolarHBondContact O-N 2.81Å; S780-Q782 VanDerWaalsContact O-N 3.07Å |
| 783 | C | 65.9 | Low | 67.8 | Low | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -91.1 | 135.4 | -169.7 | -59.3 | 0 | 0 | 0 | 0 | 113.2 | S780 G785 Y786 S790 C797 | S780-C783 WeakPolarHBondContact O-CB 3.45Å; S780-C783 PolarHBondContact O-N 3.3Å; C783-G785 PolarHBondContact O-N 3.33Å; C783-G785 VanDerWaalsContact O-N 3.13Å; C783-Y786 WeakPolarHBondContact O-CB 2.97Å; C783-Y786 PolarHBondContact O-N 2.95Å; C783-S790 VanDerWaalsContact CB-OG 3.29Å; C783-S790 WeakPolarHBondContact CB-OG 3.09Å; C783-C797 WeakPolarHBondContact CA-SG 3.49Å; C783-C797 HydrophobicContact CB-CB 3.67Å; C783-C797 WeakPolarHBondContact CB-SG 3.31Å; C783-C797 WeakPolarHBondContact SG-CA 3.29Å; C783-C797 WeakPolarHBondContact SG-CB 2.98Å; C783-C797 CovalentContact SG-SG 2.04Å; C783-C797 PolarHBondContact SG-SG 2.84Å |
| 784 | A | 57.2 | Low | 68.9 | Low | 36 Ų | 36 | 64.2 Ų | 64.2 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 116.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | M770 L771 S790 | M770-A784 HydrophobicContact CB-CB 3.97Å; L771-A784 VanDerWaalsContact O-CB 3.23Å; L771-A784 WeakPolarHBondContact O-CB 3.48Å; L771-A784 PolarHBondContact O-N 3.4Å; A784-S790 WeakPolarHBondContact O-CB 3Å; A784-S790 PolarHBondContact O-OG 3.05Å |
| 785 | G | 59.7 | Low | 70 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 1.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | C783 M788 M789 | C783-G785 PolarHBondContact O-N 3.33Å; C783-G785 VanDerWaalsContact O-N 3.13Å; G785-M788 PolarHBondContact O-N 2.74Å; G785-M789 PolarHBondContact O-N 3.18Å |
| 786 | Y | 65 | Low | 70.4 | Confident | 119 Ų | 119 | 70.8 Ų | 70.8 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 140.3 | 167.4 | 175.9 | -95.5 | 0 | 0 | 0 | 110.5 | S780 C783 S790 | S780-Y786 VanDerWaalsContact C-CG 3.5Å; S780-Y786 WeakPolarHBondContact O-CB 3.42Å; C783-Y786 WeakPolarHBondContact O-CB 2.97Å; C783-Y786 PolarHBondContact O-N 2.95Å; Y786-S790 WeakPolarHBondContact CA-O 3.29Å; Y786-S790 WeakPolarHBondContact CD2-O 3.29Å; Y786-S790 PolarHBondContact N-OG 2.98Å |
| 787 | P | 66.4 | Low | 70.2 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93.7 | 8.8 | 2.8 | 38.4 | -37 | 0 | 0 | 0 | 115 | M800 | P787-M800 WeakPolarHBondContact O-CE 3.41Š|
| 788 | M | 59.8 | Low | 70 | Confident | 148 Ų | 148 | 67.6 Ų | 67.6 | 73% | 0.729 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -22.7 | -168.7 | -65.3 | -66 | -176.1 | 0 | 0 | 114.5 | G785 M800 | G785-M788 PolarHBondContact O-N 2.74Å; M788-M800 VanDerWaalsContact C-CE 3.43Å; M788-M800 WeakPolarHBondContact O-CE 3.44Å |
| 789 | M | 62.5 | Low | 69.3 | Low | 100 Ų | 100 | 62.2 Ų | 62.2 | 49% | 0.493 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | -17.1 | -168.8 | -57.1 | -178.5 | -176 | 0 | 0 | 114.8 | G785 M800 S803 | G785-M789 PolarHBondContact O-N 3.18Å; M789-M800 PolarHBondContact O-N 3.26Å; M789-S803 WeakPolarHBondContact CA-OG 3.11Å; M789-S803 PolarHBondContact O-OG 2.99Å |
| 790 | S | 67.7 | Low | 68.7 | Low | 4 Ų | 4 | 61.7 Ų | 61.7 | 3% | 0.028 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 164.1 | 178.6 | 68.7 | 0 | 0 | 0 | 0 | 112.7 | C783 A784 Y786 T798 | C783-S790 VanDerWaalsContact CB-OG 3.29Å; C783-S790 WeakPolarHBondContact CB-OG 3.09Å; A784-S790 WeakPolarHBondContact O-CB 3Å; A784-S790 PolarHBondContact O-OG 3.05Å; Y786-S790 WeakPolarHBondContact CA-O 3.29Å; Y786-S790 WeakPolarHBondContact CD2-O 3.29Å; Y786-S790 PolarHBondContact N-OG 2.98Å; S790-T798 CarbonylContact C-O 3.44Å; S790-T798 WeakPolarHBondContact CA-O 3.45Å; S790-T798 VanDerWaalsContact CB-O 3.28Å; S790-T798 WeakPolarHBondContact CB-O 3.48Å |
| 791 | Q | 77.8 | Confident | 68.1 | Low | 72 Ų | 72 | 67 Ų | 67 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 149.9 | 178.9 | 61.4 | -177.9 | -27.1 | 0 | 0 | 110.8 | K793 T798 M800 | Q791-K793 PolarHBondContact O-N 2.92Å; Q791-T798 WeakPolarHBondContact CG-OG1 3.42Å; Q791-T798 PolarHBondContact N-O 2.03Å; Q791-T798 PolarHBondContact O-N 3.49Å; Q791-T798 PolarHBondContact O-OG1 2.86Å; Q791-M800 HydrophobicContact CB-CG 4.46Å; Q791-M800 HydrophobicContact CG-CG 4.11Å |
| 792 | C | 76.8 | Confident | 67.2 | Low | 27 Ų | 27 | 66.1 Ų | 66.1 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 118.5 | 173.1 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | C777 T779 S780 | C777-C792 VanDerWaalsContact C-SG 3.53Å; C777-C792 HydrophobicContact CB-CB 3.96Å; C777-C792 WeakPolarHBondContact CB-SG 3.5Å; C777-C792 WeakPolarHBondContact SG-CA 3.31Å; C777-C792 WeakPolarHBondContact SG-CB 3.47Å; C777-C792 CovalentContact SG-SG 2.03Å; C777-C792 PolarHBondContact SG-SG 3.18Å; T779-C792 VanDerWaalsContact C-CB 3.49Å; S780-C792 PolarHBondContact OG-N 3.11Å |
| 793 | K | 76 | Confident | 66.8 | Low | 99 Ų | 99 | 65.1 Ų | 65.1 | 43% | 0.43 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 128 | -177.3 | -169.7 | 177.4 | -178.1 | 179.2 | 0 | 108.4 | Q791 S795 R796 T798 | Q791-K793 PolarHBondContact O-N 2.92Å; K793-S795 PolarHBondContact O-N 3.41Å; K793-R796 PolarHBondContact N-O 2.03Å; K793-R796 PolarHBondContact O-N 3.35Å; K793-T798 HydrophobicContact CB-CG2 3.86Å; K793-T798 VanDerWaalsContact CB-OG1 3.28Å; K793-T798 WeakPolarHBondContact CB-OG1 3.06Å |
| 794 | Q | 76 | Confident | 66.2 | Low | 159 Ų | 159 | 70.7 Ų | 70.7 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 43 | -174.3 | -62.7 | 175.4 | -39.4 | 0 | 0 | 112.8 | R796 | Q794-R796 PolarHBondContact O-N 2.83Å; Q794-R796 VanDerWaalsContact O-N 3.13Å |
| 795 | S | 76.7 | Confident | 65.5 | Low | 73 Ų | 73 | 71.5 Ų | 71.5 | 51% | 0.51 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 19.3 | -178 | -48.6 | 0 | 0 | 0 | 0 | 115.6 | S776 C777 K793 | S776-S795 CarbonylContact C-O 3.56Å; S776-S795 VanDerWaalsContact CA-O 3.27Å; S776-S795 WeakPolarHBondContact CA-O 3.27Å; C777-S795 PolarHBondContact N-O 2.98Å; C777-S795 WeakPolarHBondContact O-CA 3.2Å; C777-S795 VanDerWaalsContact SG-C 3.53Å; K793-S795 PolarHBondContact O-N 3.41Å |
| 796 | R | 69.3 | Low | 64.5 | Low | 108 Ų | 108 | 74.5 Ų | 74.5 | 41% | 0.408 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.3 | 166.5 | -70.5 | -171.6 | -172.2 | -96.3 | 9.5 | 111.8 | G774 S775 C777 K793 Q794 T798 | G774-R796 WeakPolarHBondContact O-CD 3.47Å; G774-R796 PolarHBondContact O-NH1 2.93Å; S775-R796 CarbonylContact O-C 3.6Å; S775-R796 WeakPolarHBondContact O-CA 3.02Å; C777-R796 VanDerWaalsContact SG-CA 3.58Å; C777-R796 PolarHBondContact SG-N 3.18Å; C777-R796 PolarHBondContact SG-O 2.89Å; C777-R796 VanDerWaalsContact SG-O 3.37Å; K793-R796 PolarHBondContact N-O 2.03Å; K793-R796 PolarHBondContact O-N 3.35Å; Q794-R796 PolarHBondContact O-N 2.83Å; Q794-R796 VanDerWaalsContact O-N 3.13Å; R796-T798 PolarHBondContact O-N 3.35Å |
| 797 | C | 66.4 | Low | 63.5 | Low | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 110.4 | 170.2 | -72.1 | 0 | 0 | 0 | 0 | 110.3 | A772 P773 G774 S775 C777 C783 | A772-C797 WeakPolarHBondContact O-CB 3.18Å; P773-C797 CarbonylContact C-O 3.53Å; P773-C797 WeakPolarHBondContact CA-O 3.42Å; G774-C797 PolarHBondContact N-O 2.04Å; S775-C797 PolarHBondContact O-N 3.34Å; C777-C797 PolarHBondContact SG-N 2.88Å; C777-C797 VanDerWaalsContact SG-N 3.43Å; C783-C797 WeakPolarHBondContact CA-SG 3.49Å; C783-C797 HydrophobicContact CB-CB 3.67Å; C783-C797 WeakPolarHBondContact CB-SG 3.31Å; C783-C797 WeakPolarHBondContact SG-CA 3.29Å; C783-C797 WeakPolarHBondContact SG-CB 2.98Å; C783-C797 CovalentContact SG-SG 2.04Å; C783-C797 PolarHBondContact SG-SG 2.84Å |
| 798 | T | 67.9 | Low | 62.4 | Low | 28 Ų | 28 | 67.8 Ų | 67.8 | 17% | 0.172 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 141.3 | 178.9 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | S790 Q791 K793 R796 | S790-T798 CarbonylContact C-O 3.44Å; S790-T798 WeakPolarHBondContact CA-O 3.45Å; S790-T798 VanDerWaalsContact CB-O 3.28Å; S790-T798 WeakPolarHBondContact CB-O 3.48Å; Q791-T798 WeakPolarHBondContact CG-OG1 3.42Å; Q791-T798 PolarHBondContact N-O 2.03Å; Q791-T798 PolarHBondContact O-N 3.49Å; Q791-T798 PolarHBondContact O-OG1 2.86Å; K793-T798 HydrophobicContact CB-CG2 3.86Å; K793-T798 VanDerWaalsContact CB-OG1 3.28Å; K793-T798 WeakPolarHBondContact CB-OG1 3.06Å; R796-T798 PolarHBondContact O-N 3.35Å |
| 799 | C | 65.4 | Low | 62 | Low | 43 Ų | 43 | 66.2 Ų | 66.2 | 29% | 0.291 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 148.8 | 172.2 | -163.3 | 0 | 0 | 0 | 0 | 110.4 | C810 | C799-C810 HydrophobicContact CB-CB 3.66Å; C799-C810 WeakPolarHBondContact CB-SG 3.47Å; C799-C810 WeakPolarHBondContact SG-CB 3.39Å; C799-C810 CovalentContact SG-SG 2.02Å; C799-C810 PolarHBondContact SG-SG 2.03Å |
| 800 | M | 69.6 | Low | 61.4 | Low | 52 Ų | 52 | 62.6 Ų | 62.6 | 26% | 0.256 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -86.5 | 158.7 | 171.8 | -62.9 | -158 | -60 | 0 | 0 | 111.4 | P787 M788 M789 Q791 G802 S803 C810 | P787-M800 WeakPolarHBondContact O-CE 3.41Å; M788-M800 VanDerWaalsContact C-CE 3.43Å; M788-M800 WeakPolarHBondContact O-CE 3.44Å; M789-M800 PolarHBondContact O-N 3.26Å; Q791-M800 HydrophobicContact CB-CG 4.46Å; Q791-M800 HydrophobicContact CG-CG 4.11Å; M800-G802 PolarHBondContact O-N 2.89Å; M800-S803 WeakPolarHBondContact O-CB 3.49Å; M800-S803 PolarHBondContact O-N 2.94Å; M800-S803 PolarHBondContact O-OG 3.04Å; M800-C810 WeakPolarHBondContact O-CB 3.05Å |
| 801 | E | 63.5 | Low | 60.7 | Low | 143 Ų | 143 | 64.2 Ų | 64.2 | 67% | 0.668 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 131.9 | -178.6 | -174.7 | 161.2 | -138.3 | 0 | 0 | 111.3 | S803 | E801-S803 VanDerWaalsContact C-N 3.29Å; E801-S803 PolarHBondContact O-N 3.41Å |
| 802 | G | 58.6 | Low | 59.3 | Low | 29 Ų | 29 | 67.7 Ų | 67.7 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -12.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | M800 C810 | M800-G802 PolarHBondContact O-N 2.89Å; G802-C810 PolarHBondContact N-O 2.89Å |
| 803 | S | 55.1 | Low | 57.7 | Low | 15 Ų | 15 | 71.3 Ų | 71.3 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | trans | -66.7 | 159 | 176.3 | -47.2 | 0 | 0 | 0 | 0 | 112.1 | M789 M800 E801 R809 C810 | M789-S803 WeakPolarHBondContact CA-OG 3.11Å; M789-S803 PolarHBondContact O-OG 2.99Å; M800-S803 WeakPolarHBondContact O-CB 3.49Å; M800-S803 PolarHBondContact O-N 2.94Å; M800-S803 PolarHBondContact O-OG 3.04Å; E801-S803 VanDerWaalsContact C-N 3.29Å; E801-S803 PolarHBondContact O-N 3.41Å; S803-R809 CarbonylContact O-C 3.56Å; S803-R809 WeakPolarHBondContact O-CA 3.33Å; S803-C810 PolarHBondContact O-N 2.9Å | ||
| 804 | R | 53.1 | Low | 56 | Low | 121 Ų | 121 | 69.3 Ų | 69.3 | 46% | 0.457 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.7 | 180 | -66.1 | -173.3 | -173.8 | -103.1 | -5.2 | 112.3 | L808 E863 | R804-L808 VanDerWaalsContact CA-O 3.32Å; R804-L808 WeakPolarHBondContact CA-O 3.19Å; R804-E863 IonicContact CZ-OE2 2.82Å; R804-E863 VanDerWaalsContact CZ-OE2 3.22Å; R804-E863 IonicContact NH1-OE2 2.66Å; R804-E863 PolarHBondContact NH1-OE2 2.88Å; R804-E863 IonicContact NH2-OE1 3.44Å; R804-E863 IonicContact NH2-OE2 2.78Å; R804-E863 PolarHBondContact NH2-OE2 2.93Å |
| 805 | S | 42.9 | Very low | 53.9 | Low | 53 Ų | 53 | 70.9 Ų | 70.9 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 128.2 | 169.4 | -175.4 | 0 | 0 | 0 | 0 | 110 | G807 L808 | S805-G807 VanDerWaalsContact C-N 3.28Å; S805-G807 PolarHBondContact O-N 2.98Å; S805-L808 PolarHBondContact N-O 2.8Å; S805-L808 WeakPolarHBondContact O-CB 3.49Å; S805-L808 PolarHBondContact O-N 2.94Å |
| 806 | N | 38.3 | Very low | 51.8 | Low | 89 Ų | 89 | 71.5 Ų | 71.5 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 47.9 | -177.4 | -58.3 | -18.5 | 0 | 0 | 0 | 113.2 | L808 C872 | N806-L808 PolarHBondContact O-N 3.32Å; N806-L808 VanDerWaalsContact O-N 3.11Å; N806-C872 CarbonylContact C-O 3.56Å; N806-C872 CarbonylContact O-C 3.5Å |
| 807 | G | 43.6 | Very low | 50.4 | Low | 20 Ų | 20 | 72.8 Ų | 72.8 | 21% | 0.206 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | -23.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S805 R809 D871 | S805-G807 VanDerWaalsContact C-N 3.28Å; S805-G807 PolarHBondContact O-N 2.98Å; G807-R809 PolarHBondContact O-N 3.46Å; G807-D871 VanDerWaalsContact CA-C 3.41Å; G807-D871 WeakPolarHBondContact CA-O 3.4Å |
| 808 | L | 42.7 | Very low | 49 | Very low | 37 Ų | 37 | 79 Ų | 79 | 19% | 0.194 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 125.7 | -176.5 | -61.9 | 168.6 | 0 | 0 | 0 | 111 | R804 S805 N806 W859 T861 T873 | R804-L808 VanDerWaalsContact CA-O 3.32Å; R804-L808 WeakPolarHBondContact CA-O 3.19Å; S805-L808 PolarHBondContact N-O 2.8Å; S805-L808 WeakPolarHBondContact O-CB 3.49Å; S805-L808 PolarHBondContact O-N 2.94Å; N806-L808 PolarHBondContact O-N 3.32Å; N806-L808 VanDerWaalsContact O-N 3.11Å; L808-W859 HydrophobicContact CD1-CD2 4.42Å; L808-W859 HydrophobicContact CD1-CG 4.12Å; L808-T861 HydrophobicContact CD2-CG2 3.93Å; L808-T873 HydrophobicContact CD1-CG2 4.39Å; L808-T873 HydrophobicContact CD2-CG2 4.41Å; L808-T873 HydrophobicContact CG-CG2 4.28Å |
| 809 | R | 51.8 | Low | 47.3 | Very low | 115 Ų | 115 | 82.2 Ų | 82.2 | 43% | 0.434 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 128.8 | 170.4 | -173 | 179.1 | 177.6 | -144.2 | -11 | 109.7 | S803 G807 V811 | S803-R809 CarbonylContact O-C 3.56Å; S803-R809 WeakPolarHBondContact O-CA 3.33Å; G807-R809 PolarHBondContact O-N 3.46Å; R809-V811 PolarHBondContact O-N 2.81Å |
| 810 | C | 51.4 | Low | 45.9 | Very low | 24 Ų | 24 | 88.9 Ų | 88.9 | 16% | 0.162 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 119.7 | -177.6 | -60.2 | 0 | 0 | 0 | 0 | 110.9 | C799 M800 G802 S803 | C799-C810 HydrophobicContact CB-CB 3.66Å; C799-C810 WeakPolarHBondContact CB-SG 3.47Å; C799-C810 WeakPolarHBondContact SG-CB 3.39Å; C799-C810 CovalentContact SG-SG 2.02Å; C799-C810 PolarHBondContact SG-SG 2.03Å; M800-C810 WeakPolarHBondContact O-CB 3.05Å; G802-C810 PolarHBondContact N-O 2.89Å; S803-C810 PolarHBondContact O-N 2.9Å |
| 811 | V | 52.6 | Low | 44.7 | Very low | 39 Ų | 39 | 92.4 Ų | 92.4 | 24% | 0.236 | 50% | 0.501 | C | S | . | . | trans | -128.2 | 137 | -176.9 | -71.4 | 0 | 0 | 0 | 0 | 110.1 | R809 F813 I862 | R809-V811 PolarHBondContact O-N 2.81Å; V811-F813 HydrophobicContact CG2-CD2 4.06Å; V811-F813 HydrophobicContact CG2-CE2 4.19Å; V811-F813 PolarHBondContact O-N 2.92Å; V811-I862 HydrophobicContact CG1-CD1 4.4Å | ||
| 812 | Q | 48.4 | Very low | 43.5 | Very low | 145 Ų | 145 | 90.2 Ų | 90.2 | 68% | 0.678 | 49% | 0.493 | S | S | * | . | trans | -90 | 88.7 | -176 | -167.7 | 174.8 | -73 | 0 | 0 | 111.1 | G814 | Q812-G814 PolarHBondContact O-N 3.09Š| ||
| 813 | F | 43.3 | Very low | 42.5 | Very low | 103 Ų | 103 | 90.8 Ų | 90.8 | 45% | 0.452 | 49% | 0.492 | S | S | . | . | trans | -64.5 | 121.6 | -177.2 | -110 | -87.5 | 0 | 0 | 0 | 113.3 | V811 E860 | V811-F813 HydrophobicContact CG2-CD2 4.06Å; V811-F813 HydrophobicContact CG2-CE2 4.19Å; V811-F813 PolarHBondContact O-N 2.92Å; F813-E860 HydrophobicContact CE2-CB 3.82Å; F813-E860 HydrophobicContact CZ-CB 4.39Å; F813-E860 WeakPolarHBondContact CZ-OE2 3.24Å | ||
| 814 | G | 39.6 | Very low | 41.9 | Very low | 57 Ų | 57 | 93.2 Ų | 93.2 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | trans | -71 | 150.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q812 S816 | Q812-G814 PolarHBondContact O-N 3.09Å; G814-S816 PolarHBondContact O-N 3.35Å; G814-S816 VanDerWaalsContact O-N 3.09Å | ||
| 815 | L | 31.7 | Very low | 41.1 | Very low | 191 Ų | 191 | 90.5 Ų | 90.5 | 100% | 1 | 50% | 0.496 | S | S | * | . | trans | -54.8 | 113.1 | -175.7 | -73.1 | 151.7 | 0 | 0 | 0 | 112.1 | ||||
| 816 | S | 33.1 | Very low | 40.7 | Very low | 86 Ų | 86 | 94.9 Ų | 94.9 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | trans | -122.2 | 138.6 | 174.2 | -176 | 0 | 0 | 0 | 0 | 110.2 | G814 | G814-S816 PolarHBondContact O-N 3.35Å; G814-S816 VanDerWaalsContact O-N 3.09Å | ||
| 817 | T | 38.7 | Very low | 40.5 | Very low | 135 Ų | 135 | 92.5 Ų | 92.5 | 83% | 0.828 | 51% | 0.505 | S | S | * | . | trans | -94.7 | 12.2 | -163.9 | 48.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 818 | N | 38.1 | Very low | 40.3 | Very low | 134 Ų | 134 | 94.7 Ų | 94.7 | 72% | 0.717 | 52% | 0.515 | S | S | * | . | trans | -106.7 | 109.1 | -177.9 | -86.9 | -102.6 | 0 | 0 | 0 | 111.7 | K820 | N818-K820 PolarHBondContact O-N 3.26Š| ||
| 819 | V | 32.3 | Very low | 40 | Very low | 96 Ų | 96 | 97.2 Ų | 97.2 | 58% | 0.582 | 54% | 0.535 | S | S | * | . | trans | -85.7 | 95.7 | -174.6 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | I822 | V819-I822 HydrophobicContact CG1-CD1 4.17Š| ||
| 820 | K | 36.3 | Very low | 39.2 | Very low | 182 Ų | 182 | 94.1 Ų | 94.1 | 79% | 0.791 | 53% | 0.531 | S | S | * | . | trans | -131.8 | 124.9 | 167 | -79.6 | 179.5 | 179.1 | 166.4 | 0 | 111.7 | N818 | N818-K820 PolarHBondContact O-N 3.26Š| ||
| 821 | N | 42.8 | Very low | 38.4 | Very low | 126 Ų | 126 | 99.9 Ų | 99.9 | 67% | 0.674 | 55% | 0.553 | S | S | * | * | trans | 57.3 | 75.3 | 170.3 | -58 | -17 | 0 | 0 | 0 | 115.7 | ||||
| 822 | I | 39 | Very low | 37.6 | Very low | 97 Ų | 97 | 105.1 Ų | 105.1 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | trans | -93.4 | 121 | 167.7 | -52.6 | 175.3 | 0 | 0 | 0 | 108.9 | V819 C830 W858 | V819-I822 HydrophobicContact CG1-CD1 4.17Å; I822-C830 PolarHBondContact O-SG 2.83Å; I822-W858 HydrophobicContact CG2-CD2 4.11Å; I822-W858 HydrophobicContact CG2-CE3 3.33Å; I822-W858 HydrophobicContact CG2-CH2 4.42Å; I822-W858 HydrophobicContact CG2-CZ3 3.52Å | ||
| 823 | C | 38.8 | Very low | 36.8 | Very low | 41 Ų | 41 | 108.4 Ų | 108.4 | 28% | 0.277 | 58% | 0.581 | S | S | . | * | trans | -120.7 | 165 | 174.7 | -92.8 | 0 | 0 | 0 | 0 | 109.6 | C830 W859 | C823-C830 WeakPolarHBondContact CA-SG 3.46Å; C823-C830 HydrophobicContact CB-CB 4.47Å; C823-C830 WeakPolarHBondContact CB-SG 3.47Å; C823-C830 PolarHBondContact N-SG 2.83Å; C823-C830 WeakPolarHBondContact SG-CA 3.46Å; C823-C830 WeakPolarHBondContact SG-CB 3.27Å; C823-C830 PolarHBondContact SG-N 2.93Å; C823-C830 CovalentContact SG-SG 2.03Å; C823-C830 PolarHBondContact SG-SG 3.03Å; C823-W859 VanDerWaalsContact O-CZ2 3.31Å; C823-W859 WeakPolarHBondContact O-CZ2 3.34Å | ||
| 824 | D | 41.3 | Very low | 36.2 | Very low | 66 Ų | 66 | 110 Ų | 110 | 35% | 0.353 | 59% | 0.588 | S | S | . | * | trans | -95.1 | 167.4 | 172.6 | 77.8 | 29 | 0 | 0 | 0 | 113.4 | F826 G827 T828 W859 | D824-F826 PolarHBondContact O-N 2.87Å; D824-F826 WeakPolarHBondContact OD1-CA 3.25Å; D824-F826 WeakPolarHBondContact OD1-CB 3.42Å; D824-F826 PolarHBondContact OD1-N 3.1Å; D824-G827 PolarHBondContact O-N 3.3Å; D824-G827 PolarHBondContact OD1-N 3.09Å; D824-T828 VanDerWaalsContact CG-CB 3.48Å; D824-T828 VanDerWaalsContact CG-OG1 3.22Å; D824-T828 WeakPolarHBondContact OD1-CB 3.35Å; D824-T828 PolarHBondContact OD1-N 2.82Å; D824-T828 PolarHBondContact OD1-OG1 2.87Å; D824-T828 WeakPolarHBondContact OD2-CB 3.5Å; D824-T828 PolarHBondContact OD2-OG1 3.39Å; D824-W859 WeakPolarHBondContact O-CZ2 3.45Å | ||
| 825 | Q | 35.6 | Very low | 35.6 | Very low | 64 Ų | 64 | 117.6 Ų | 117.6 | 30% | 0.299 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69 | -7.9 | -174.3 | 60.7 | 176.2 | 37 | 0 | 0 | 114.7 | P773 G774 W859 | P773-Q825 VanDerWaalsContact O-CD 3.25Å; P773-Q825 PolarHBondContact O-NE2 3.34Å; P773-Q825 PolarHBondContact O-OE1 3.33Å; G774-Q825 VanDerWaalsContact CA-OE1 3.27Å; Q825-W859 HydrophobicContact CB-CH2 3.64Å; Q825-W859 HydrophobicContact CB-CZ2 4.32Å; Q825-W859 HydrophobicContact CB-CZ3 4.22Å; Q825-W859 VanDerWaalsContact N-CH2 3.34Å |
| 826 | F | 35 | Very low | 35.4 | Very low | 145 Ų | 145 | 112.9 Ų | 112.9 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 2.9 | -179.8 | -60.4 | -71.2 | 0 | 0 | 0 | 112.1 | D824 T828 | D824-F826 PolarHBondContact O-N 2.87Å; D824-F826 WeakPolarHBondContact OD1-CA 3.25Å; D824-F826 WeakPolarHBondContact OD1-CB 3.42Å; D824-F826 PolarHBondContact OD1-N 3.1Å; F826-T828 PolarHBondContact O-N 2.91Å |
| 827 | G | 34.6 | Very low | 35.2 | Very low | 39 Ų | 39 | 117 Ų | 117 | 40% | 0.402 | 60% | 0.596 | S | S | . | * | trans | 72 | 18.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D824 S829 | D824-G827 PolarHBondContact O-N 3.3Å; D824-G827 PolarHBondContact OD1-N 3.09Å; G827-S829 PolarHBondContact O-N 3.49Å; G827-S829 VanDerWaalsContact O-N 3.08Å | ||
| 828 | T | 39.4 | Very low | 34.9 | Very low | 66 Ų | 66 | 116.6 Ų | 116.6 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | trans | -58.7 | 118.7 | 172.3 | -50.9 | 0 | 0 | 0 | 0 | 108 | D824 F826 C830 | D824-T828 VanDerWaalsContact CG-CB 3.48Å; D824-T828 VanDerWaalsContact CG-OG1 3.22Å; D824-T828 WeakPolarHBondContact OD1-CB 3.35Å; D824-T828 PolarHBondContact OD1-N 2.82Å; D824-T828 PolarHBondContact OD1-OG1 2.87Å; D824-T828 WeakPolarHBondContact OD2-CB 3.5Å; D824-T828 PolarHBondContact OD2-OG1 3.39Å; F826-T828 PolarHBondContact O-N 2.91Å; T828-C830 PolarHBondContact O-N 3.42Å | ||
| 829 | S | 37.3 | Very low | 34.6 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 63% | 0.629 | 61% | 0.605 | S | S | * | * | trans | -50.3 | 124.6 | -174.6 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | G827 K831 | G827-S829 PolarHBondContact O-N 3.49Å; G827-S829 VanDerWaalsContact O-N 3.08Å; S829-K831 VanDerWaalsContact C-N 3.35Å; S829-K831 PolarHBondContact O-N 3.28Å | ||
| 830 | C | 34.5 | Very low | 34.6 | Very low | 50 Ų | 50 | 125.9 Ų | 125.9 | 34% | 0.338 | 62% | 0.618 | S | S | . | * | trans | -48.8 | 93 | -177 | -79.9 | 0 | 0 | 0 | 0 | 110.7 | I822 C823 T828 K832 | I822-C830 PolarHBondContact O-SG 2.83Å; C823-C830 WeakPolarHBondContact CA-SG 3.46Å; C823-C830 HydrophobicContact CB-CB 4.47Å; C823-C830 WeakPolarHBondContact CB-SG 3.47Å; C823-C830 PolarHBondContact N-SG 2.83Å; C823-C830 WeakPolarHBondContact SG-CA 3.46Å; C823-C830 WeakPolarHBondContact SG-CB 3.27Å; C823-C830 PolarHBondContact SG-N 2.93Å; C823-C830 CovalentContact SG-SG 2.03Å; C823-C830 PolarHBondContact SG-SG 3.03Å; T828-C830 PolarHBondContact O-N 3.42Å; C830-K832 PolarHBondContact O-N 2.84Å | ||
| 831 | K | 33.7 | Very low | 34.5 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 64% | 0.635 | 63% | 0.626 | S | S | * | * | trans | -72.5 | 99 | -176.5 | -81.4 | -175.4 | 180 | 174.2 | 0 | 108.5 | S829 Y833 | S829-K831 VanDerWaalsContact C-N 3.35Å; S829-K831 PolarHBondContact O-N 3.28Å; K831-Y833 HydrophobicContact CB-CD2 4.49Å; K831-Y833 HydrophobicContact CB-CE2 4.2Å; K831-Y833 WeakPolarHBondContact O-CD2 3.49Å; K831-Y833 PolarHBondContact O-N 3.03Å | ||
| 832 | K | 36.1 | Very low | 34 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 65% | 0.648 | 64% | 0.637 | S | S | * | * | trans | -60.4 | 104.5 | 158.3 | -68.3 | -171.3 | 178.8 | -175.7 | 0 | 107.4 | C830 F834 | C830-K832 PolarHBondContact O-N 2.84Å; K832-F834 VanDerWaalsContact C-N 3.25Å; K832-F834 HydrophobicContact CB-CD2 3.78Å; K832-F834 HydrophobicContact CB-CE2 3.39Å; K832-F834 HydrophobicContact CB-CZ 3.84Å; K832-F834 HydrophobicContact CD-CE2 3.78Å; K832-F834 HydrophobicContact CD-CZ 3.6Å; K832-F834 HydrophobicContact CG-CE2 4.22Å; K832-F834 HydrophobicContact CG-CZ 4.36Å; K832-F834 WeakPolarHBondContact O-CD2 3.37Å; K832-F834 PolarHBondContact O-N 2.86Å | ||
| 833 | Y | 31.4 | Very low | 33.6 | Very low | 214 Ų | 214 | 132.7 Ų | 132.7 | 84% | 0.839 | 65% | 0.648 | S | S | * | * | trans | -69.9 | 82.9 | 176.5 | -74.3 | -92.3 | 0 | 0 | 0 | 109.6 | K831 | K831-Y833 HydrophobicContact CB-CD2 4.49Å; K831-Y833 HydrophobicContact CB-CE2 4.2Å; K831-Y833 WeakPolarHBondContact O-CD2 3.49Å; K831-Y833 PolarHBondContact O-N 3.03Å | ||
| 834 | F | 30.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 138.3 Ų | 138.3 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | trans | -83.5 | 119.3 | 175.3 | -70 | -66.6 | 0 | 0 | 0 | 110.7 | K832 A836 | K832-F834 VanDerWaalsContact C-N 3.25Å; K832-F834 HydrophobicContact CB-CD2 3.78Å; K832-F834 HydrophobicContact CB-CE2 3.39Å; K832-F834 HydrophobicContact CB-CZ 3.84Å; K832-F834 HydrophobicContact CD-CE2 3.78Å; K832-F834 HydrophobicContact CD-CZ 3.6Å; K832-F834 HydrophobicContact CG-CE2 4.22Å; K832-F834 HydrophobicContact CG-CZ 4.36Å; K832-F834 WeakPolarHBondContact O-CD2 3.37Å; K832-F834 PolarHBondContact O-N 2.86Å; F834-A836 PolarHBondContact O-N 3.49Å | ||
| 835 | Y | 26.8 | Very low | 32.9 | Very low | 216 Ų | 216 | 140.9 Ų | 140.9 | 85% | 0.847 | 69% | 0.692 | S | S | * | * | trans | -74.1 | 106.7 | 170.2 | -132.5 | -85.2 | 0 | 0 | 0 | 109.3 | ||||
| 836 | A | 29.1 | Very low | 32.7 | Very low | 92 Ų | 92 | 146.9 Ų | 146.9 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | trans | -118.2 | 65.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113 | F834 | F834-A836 PolarHBondContact O-N 3.49Š| ||
| 837 | K | 27.9 | Very low | 32.5 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -70.2 | 133.3 | 159.2 | -76.9 | -174.8 | 176.1 | 178.8 | 0 | 108.8 | ||||
| 838 | T | 33 | Very low | 32.3 | Very low | 127 Ų | 127 | 153.7 Ų | 153.7 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 59 | 115.8 | 175.4 | 56 | 0 | 0 | 0 | 0 | 117.6 | R840 | T838-R840 PolarHBondContact O-N 3.31Š|
| 839 | M | 30.5 | Very low | 31.8 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 96% | 0.961 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -73.7 | 81.1 | 168.8 | -63.5 | -172.9 | -163.2 | 0 | 0 | 111.4 | ||
| 840 | R | 33.2 | Very low | 31.6 | Very low | 230 Ų | 230 | 157.6 Ų | 157.6 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -170.9 | 126.8 | 160.7 | -100.5 | 145.1 | -164.9 | -154 | 5.5 | 110.3 | T838 | T838-R840 PolarHBondContact O-N 3.31Š|
| 841 | R | 34.1 | Very low | 31.4 | Very low | 254 Ų | 254 | 161.1 Ų | 161.1 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 82 | 159.8 | -179.4 | -53.2 | 179.3 | 176.3 | -175.7 | -1.5 | 115.4 | ||
| 842 | K | 31.5 | Very low | 31.3 | Very low | 206 Ų | 206 | 161.5 Ų | 161.5 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | trans | -68 | 135.6 | -172.5 | -69.7 | 177.6 | 174.7 | 178.6 | 0 | 111.5 | ||||
| 843 | A | 31.2 | Very low | 30.9 | Very low | 88 Ų | 88 | 160 Ų | 160 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -76.6 | 145.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 844 | I | 33 | Very low | 30.9 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -113.3 | 143.7 | 175.1 | -61.2 | 170.9 | 0 | 0 | 0 | 107.1 | ||||
| 845 | T | 32.3 | Very low | 31.1 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -99.8 | 128.6 | 178.5 | 39.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 846 | E | 31.3 | Very low | 31.3 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -116.6 | 147.8 | 159.6 | -67.9 | -175.8 | 134.2 | 0 | 0 | 108.7 | ||||
| 847 | E | 30.6 | Very low | 31.4 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -95.8 | 137.7 | 178.9 | -80.9 | -178.2 | 125.2 | 0 | 0 | 111.6 | ||||
| 848 | I | 30.2 | Very low | 31.7 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | -121.2 | 108.5 | 167.8 | -59.1 | 178.6 | 0 | 0 | 0 | 107.4 | ||||
| 849 | G | 30.2 | Very low | 31.9 | Very low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | trans | -75.3 | 124.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T851 | G849-T851 PolarHBondContact O-N 3.34Š| ||
| 850 | I | 32.5 | Very low | 32.3 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 89% | 0.892 | 71% | 0.711 | S | S | * | * | trans | -81.4 | 105 | 171.2 | -58.9 | 172.9 | 0 | 0 | 0 | 108 | ||||
| 851 | T | 29.9 | Very low | 32.7 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 76% | 0.761 | 70% | 0.697 | S | S | * | * | trans | -89.7 | 157.8 | 173.2 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | G849 | G849-T851 PolarHBondContact O-N 3.34Š| ||
| 852 | N | 32.2 | Very low | 33.4 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 68% | 0.677 | S | S | * | * | trans | 87.8 | 131.1 | 165.1 | -111.5 | -21.3 | 0 | 0 | 0 | 120.3 | ||||
| 853 | V | 28.8 | Very low | 34.5 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 72% | 0.715 | 65% | 0.651 | S | S | * | * | trans | 73 | 92 | 159.2 | -124.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 854 | S | 30.8 | Very low | 35.8 | Very low | 98 Ų | 98 | 119.5 Ų | 119.5 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | 77 | 11.5 | 126.3 | 77.8 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 855 | Q | 34.4 | Very low | 37.8 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 61% | 0.612 | 63% | 0.626 | S | S | * | * | trans | -128.9 | 123.9 | 173.8 | -64.2 | -171.3 | 12.5 | 0 | 0 | 115.3 | ||||
| 856 | P | 30.1 | Very low | 40 | Very low | 97 Ų | 97 | 112.3 Ų | 112.3 | 63% | 0.63 | 59% | 0.594 | S | S | * | * | trans | -102.7 | 110 | 173.7 | 35 | -27.1 | 0 | 0 | 0 | 112.4 | ||||
| 857 | L | 32.1 | Very low | 42.3 | Very low | 62 Ų | 62 | 110.5 Ų | 110.5 | 33% | 0.325 | 59% | 0.589 | S | S | . | * | trans | -145.9 | 52.9 | -177.1 | -75.9 | 177.2 | 0 | 0 | 0 | 113.2 | ||||
| 858 | W | 32.9 | Very low | 44.4 | Very low | 157 Ų | 157 | 106 Ų | 106 | 60% | 0.595 | 57% | 0.573 | S | S | * | * | trans | -140.2 | 143.8 | -175 | -30.6 | 102.5 | 0 | 0 | 0 | 111.7 | I822 | I822-W858 HydrophobicContact CG2-CD2 4.11Å; I822-W858 HydrophobicContact CG2-CE3 3.33Å; I822-W858 HydrophobicContact CG2-CH2 4.42Å; I822-W858 HydrophobicContact CG2-CZ3 3.52Å | ||
| 859 | W | 38.7 | Very low | 46.2 | Very low | 78 Ų | 78 | 101.1 Ų | 101.1 | 30% | 0.295 | 55% | 0.549 | S | S | . | . | trans | -124.6 | 155.6 | -177.9 | 43.9 | 75.3 | 0 | 0 | 0 | 111.2 | L808 C823 D824 Q825 | L808-W859 HydrophobicContact CD1-CD2 4.42Å; L808-W859 HydrophobicContact CD1-CG 4.12Å; C823-W859 VanDerWaalsContact O-CZ2 3.31Å; C823-W859 WeakPolarHBondContact O-CZ2 3.34Å; D824-W859 WeakPolarHBondContact O-CZ2 3.45Å; Q825-W859 HydrophobicContact CB-CH2 3.64Å; Q825-W859 HydrophobicContact CB-CZ2 4.32Å; Q825-W859 HydrophobicContact CB-CZ3 4.22Å; Q825-W859 VanDerWaalsContact N-CH2 3.34Å | ||
| 860 | E | 38 | Very low | 47.8 | Very low | 98 Ų | 98 | 108.3 Ų | 108.3 | 46% | 0.458 | 56% | 0.556 | S | S | . | * | trans | -112.4 | 139.2 | 177.9 | -175.3 | 175.7 | -142.6 | 0 | 0 | 110.8 | F813 I862 | F813-E860 HydrophobicContact CE2-CB 3.82Å; F813-E860 HydrophobicContact CZ-CB 4.39Å; F813-E860 WeakPolarHBondContact CZ-OE2 3.24Å; E860-I862 VanDerWaalsContact C-N 3.31Å; E860-I862 HydrophobicContact CB-CD1 4.26Å; E860-I862 HydrophobicContact CB-CG1 3.9Å; E860-I862 HydrophobicContact CG-CD1 4.41Å; E860-I862 HydrophobicContact CG-CG1 3.71Å; E860-I862 PolarHBondContact O-N 3.04Å; E860-I862 WeakPolarHBondContact OE2-CD1 3.22Å | ||
| 861 | T | 41.5 | Very low | 49.1 | Very low | 91 Ų | 91 | 102.8 Ų | 102.8 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | trans | -80.7 | 76.4 | 175.7 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | L808 | L808-T861 HydrophobicContact CD2-CG2 3.93Š| ||
| 862 | I | 49.3 | Very low | 50.9 | Low | 107 Ų | 107 | 97.1 Ų | 97.1 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | trans | -81.7 | -32.6 | -175.3 | -57.1 | 176.4 | 0 | 0 | 0 | 112.5 | V811 E860 | V811-I862 HydrophobicContact CG1-CD1 4.4Å; E860-I862 VanDerWaalsContact C-N 3.31Å; E860-I862 HydrophobicContact CB-CD1 4.26Å; E860-I862 HydrophobicContact CB-CG1 3.9Å; E860-I862 HydrophobicContact CG-CD1 4.41Å; E860-I862 HydrophobicContact CG-CG1 3.71Å; E860-I862 PolarHBondContact O-N 3.04Å; E860-I862 WeakPolarHBondContact OE2-CD1 3.22Å | ||
| 863 | E | 53.9 | Low | 52.3 | Low | 73 Ų | 73 | 91 Ų | 91 | 34% | 0.341 | 46% | 0.462 | S | S | . | . | trans | -118.9 | 127.2 | -176.7 | -68.9 | 173.1 | -154.6 | 0 | 0 | 111.1 | R804 | R804-E863 IonicContact CZ-OE2 2.82Å; R804-E863 VanDerWaalsContact CZ-OE2 3.22Å; R804-E863 IonicContact NH1-OE2 2.66Å; R804-E863 PolarHBondContact NH1-OE2 2.88Å; R804-E863 IonicContact NH2-OE1 3.44Å; R804-E863 IonicContact NH2-OE2 2.78Å; R804-E863 PolarHBondContact NH2-OE2 2.93Å | ||
| 864 | N | 59.2 | Low | 53.9 | Low | 88 Ų | 88 | 89.9 Ų | 89.9 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | trans | -95.4 | 1.4 | 174.1 | -90.2 | -27.7 | 0 | 0 | 0 | 113.2 | K882 C883 | N864-K882 CarbonylContact O-C 3.47Å; N864-K882 VanDerWaalsContact O-CA 3.3Å; N864-K882 WeakPolarHBondContact O-CA 3.4Å; N864-C883 PolarHBondContact O-N 2.91Å | ||
| 865 | H | 75.9 | Confident | 55.6 | Low | 121 Ų | 121 | 88.7 Ų | 88.7 | 56% | 0.56 | 44% | 0.443 | S | S | * | . | B | Isolated β-bridge | trans | -81.8 | 140.2 | -172.5 | -64.8 | 114.9 | 0 | 0 | 0 | 113 | E881 | H865-E881 VanDerWaalsContact CA-O 3.26Å; H865-E881 WeakPolarHBondContact CA-O 3.39Å |
| 866 | C | 77.5 | Confident | 57.6 | Low | 7 Ų | 7 | 84.7 Ų | 84.7 | 5% | 0.047 | 42% | 0.423 | C | S | . | . | trans | -144.4 | 157.5 | -177.7 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | D871 C878 E881 K882 | C866-D871 HydrophobicContact CB-CB 3.72Å; C866-C878 VanDerWaalsContact C-SG 3.59Å; C866-C878 HydrophobicContact CB-CB 3.8Å; C866-C878 WeakPolarHBondContact CB-SG 3.05Å; C866-C878 WeakPolarHBondContact SG-CA 3.47Å; C866-C878 WeakPolarHBondContact SG-CB 3Å; C866-C878 CovalentContact SG-SG 2.03Å; C866-C878 PolarHBondContact SG-SG 3.4Å; C866-E881 PolarHBondContact N-O 3.42Å; C866-E881 WeakPolarHBondContact O-CA 3.34Å; C866-K882 PolarHBondContact SG-N 2.82Å | ||
| 867 | L | 78.6 | Confident | 59.9 | Low | 152 Ų | 152 | 80.2 Ų | 80.2 | 80% | 0.796 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -110.5 | -28.4 | 167.6 | -67.6 | 170.8 | 0 | 0 | 0 | 111.2 | D871 | L867-D871 PolarHBondContact N-OD2 3.5Š|
| 868 | T | 75.2 | Confident | 62.3 | Low | 69 Ų | 69 | 78 Ų | 78 | 42% | 0.423 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -141.9 | 166.5 | -178.6 | 68.5 | 0 | 0 | 0 | 0 | 110.3 | R870 D871 C878 | T868-R870 PolarHBondContact O-N 3.49Å; T868-R870 VanDerWaalsContact O-N 3.11Å; T868-R870 PolarHBondContact OG1-N 2.84Å; T868-D871 PolarHBondContact N-OD2 2.03Å; T868-D871 WeakPolarHBondContact O-CB 3.34Å; T868-D871 PolarHBondContact O-N 3.38Å; T868-D871 PolarHBondContact OG1-OD2 2.89Å; T868-C878 VanDerWaalsContact C-CB 3.43Å; T868-C878 WeakPolarHBondContact O-CB 3.06Å |
| 869 | D | 67.5 | Low | 64.6 | Low | 62 Ų | 62 | 71 Ų | 71 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -61.6 | -17.6 | 174.1 | -60.3 | -75.6 | 0 | 0 | 0 | 113.8 | D871 C872 T877 C878 R902 | D869-D871 PolarHBondContact O-N 2.87Å; D869-C872 PolarHBondContact O-N 3.26Å; D869-T877 VanDerWaalsContact OD1-CA 3.25Å; D869-T877 WeakPolarHBondContact OD1-CA 3.05Å; D869-T877 WeakPolarHBondContact OD1-CB 3.41Å; D869-T877 PolarHBondContact OD1-OG1 3.08Å; D869-C878 PolarHBondContact OD1-N 2.71Å; D869-R902 IonicContact OD1-CZ 3.33Å; D869-R902 IonicContact OD1-NH1 3.44Å; D869-R902 PolarHBondContact OD1-NH1 3.12Å; D869-R902 IonicContact OD1-NH2 2.92Å; D869-R902 PolarHBondContact OD1-NH2 3.26Å; D869-R902 IonicContact OD2-CZ 3.19Å; D869-R902 IonicContact OD2-NH1 2.75Å; D869-R902 PolarHBondContact OD2-NH1 3.2Å; D869-R902 IonicContact OD2-NH2 2.79Å; D869-R902 PolarHBondContact OD2-NH2 3.07Å |
| 870 | R | 63.9 | Low | 66.8 | Low | 215 Ų | 215 | 75.9 Ų | 75.9 | 81% | 0.811 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -72.7 | -18.2 | 175.2 | -59.9 | -179.6 | 176.7 | -177.7 | -1.6 | 113 | T868 C872 | T868-R870 PolarHBondContact O-N 3.49Å; T868-R870 VanDerWaalsContact O-N 3.11Å; T868-R870 PolarHBondContact OG1-N 2.84Å; R870-C872 PolarHBondContact O-N 3.44Å |
| 871 | D | 61.4 | Low | 69 | Low | 57 Ų | 57 | 77.5 Ų | 77.5 | 31% | 0.305 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -87.8 | 11.6 | 174.7 | -48.4 | -63.4 | 0 | 0 | 0 | 111.8 | G807 C866 L867 T868 D869 C883 | G807-D871 VanDerWaalsContact CA-C 3.41Å; G807-D871 WeakPolarHBondContact CA-O 3.4Å; C866-D871 HydrophobicContact CB-CB 3.72Å; L867-D871 PolarHBondContact N-OD2 3.5Å; T868-D871 PolarHBondContact N-OD2 2.03Å; T868-D871 WeakPolarHBondContact O-CB 3.34Å; T868-D871 PolarHBondContact O-N 3.38Å; T868-D871 PolarHBondContact OG1-OD2 2.89Å; D869-D871 PolarHBondContact O-N 2.87Å; D871-C883 PolarHBondContact O-SG 3.22Å |
| 872 | C | 66.4 | Low | 71 | Confident | 6 Ų | 6 | 78 Ų | 78 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -122.8 | 163.5 | 177.4 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | N806 D869 R870 K876 C883 | N806-C872 CarbonylContact C-O 3.56Å; N806-C872 CarbonylContact O-C 3.5Å; D869-C872 PolarHBondContact O-N 3.26Å; R870-C872 PolarHBondContact O-N 3.44Å; C872-K876 HydrophobicContact CB-CB 3.91Å; C872-C883 WeakPolarHBondContact CA-SG 3.24Å; C872-C883 HydrophobicContact CB-CB 3.86Å; C872-C883 WeakPolarHBondContact CB-SG 3.38Å; C872-C883 VanDerWaalsContact SG-CA 3.51Å; C872-C883 WeakPolarHBondContact SG-CB 3.37Å; C872-C883 CovalentContact SG-SG 2.04Å; C872-C883 PolarHBondContact SG-SG 2.79Å |
| 873 | T | 62.3 | Low | 72.3 | Confident | 25 Ų | 25 | 73.6 Ų | 73.6 | 15% | 0.153 | 36% | 0.357 | C | S | . | . | trans | -71.6 | 155.9 | 170.3 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | L808 D875 K876 | L808-T873 HydrophobicContact CD1-CG2 4.39Å; L808-T873 HydrophobicContact CD2-CG2 4.41Å; L808-T873 HydrophobicContact CG-CG2 4.28Å; T873-D875 WeakPolarHBondContact CB-OD1 3.33Å; T873-D875 PolarHBondContact O-N 2.03Å; T873-D875 PolarHBondContact OG1-OD1 2.84Å; T873-K876 WeakPolarHBondContact O-CA 3.35Å; T873-K876 WeakPolarHBondContact O-CB 3.46Å; T873-K876 PolarHBondContact O-N 2.05Å; T873-K876 VanDerWaalsContact OG1-CD 3.31Å; T873-K876 WeakPolarHBondContact OG1-CD 3.07Å; T873-K876 WeakPolarHBondContact OG1-CG 3.48Å | ||
| 874 | P | 62.4 | Low | 73.8 | Confident | 93 Ų | 93 | 72.4 Ų | 72.4 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -15.9 | -174.7 | -25.6 | 35.6 | 0 | 0 | 0 | 116 | K876 | P874-K876 VanDerWaalsContact C-N 3.32Š|
| 875 | D | 65.2 | Low | 74.9 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 6.8 | 173 | 71.3 | -48.2 | 0 | 0 | 0 | 113.4 | T873 K885 L886 | T873-D875 WeakPolarHBondContact CB-OD1 3.33Å; T873-D875 PolarHBondContact O-N 2.03Å; T873-D875 PolarHBondContact OG1-OD1 2.84Å; D875-K885 WeakPolarHBondContact O-CG 3.08Å; D875-L886 PolarHBondContact O-N 3.43Å |
| 876 | K | 77.3 | Confident | 75.2 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 163.3 | -175.6 | -66.1 | -174.5 | -169.5 | -179.8 | 0 | 112.3 | C872 T873 P874 C883 Y884 | C872-K876 HydrophobicContact CB-CB 3.91Å; T873-K876 WeakPolarHBondContact O-CA 3.35Å; T873-K876 WeakPolarHBondContact O-CB 3.46Å; T873-K876 PolarHBondContact O-N 2.05Å; T873-K876 VanDerWaalsContact OG1-CD 3.31Å; T873-K876 WeakPolarHBondContact OG1-CD 3.07Å; T873-K876 WeakPolarHBondContact OG1-CG 3.48Å; P874-K876 VanDerWaalsContact C-N 3.32Å; K876-C883 HydrophobicContact CB-CB 4.38Å; K876-C883 HydrophobicContact CD-CB 3.87Å; K876-Y884 CarbonylContact C-O 3.57Å; K876-Y884 WeakPolarHBondContact CA-O 2.97Å; K876-Y884 WeakPolarHBondContact CB-O 3.4Å |
| 877 | T | 78.3 | Confident | 75.5 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 145.4 | 175.5 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | D869 V879 C883 Y884 L886 R902 | D869-T877 VanDerWaalsContact OD1-CA 3.25Å; D869-T877 WeakPolarHBondContact OD1-CA 3.05Å; D869-T877 WeakPolarHBondContact OD1-CB 3.41Å; D869-T877 PolarHBondContact OD1-OG1 3.08Å; T877-V879 HydrophobicContact CG2-CG2 4.09Å; T877-C883 WeakPolarHBondContact O-CA 3.31Å; T877-Y884 PolarHBondContact N-O 3.41Å; T877-Y884 PolarHBondContact O-N 3.07Å; T877-L886 HydrophobicContact CG2-CD2 3.65Å; T877-L886 HydrophobicContact CG2-CG 4.12Å; T877-R902 HydrophobicContact CG2-CB 4.33Å; T877-R902 HydrophobicContact CG2-CG 4.15Å; T877-R902 PolarHBondContact OG1-NE 3.28Å; T877-R902 VanDerWaalsContact OG1-NE 3.13Å; T877-R902 PolarHBondContact OG1-NH2 2.98Å |
| 878 | C | 82.5 | Confident | 75.6 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 10% | 0.101 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 122.2 | 175.3 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | C866 T868 D869 R902 | C866-C878 VanDerWaalsContact C-SG 3.59Å; C866-C878 HydrophobicContact CB-CB 3.8Å; C866-C878 WeakPolarHBondContact CB-SG 3.05Å; C866-C878 WeakPolarHBondContact SG-CA 3.47Å; C866-C878 WeakPolarHBondContact SG-CB 3Å; C866-C878 CovalentContact SG-SG 2.03Å; C866-C878 PolarHBondContact SG-SG 3.4Å; T868-C878 VanDerWaalsContact C-CB 3.43Å; T868-C878 WeakPolarHBondContact O-CB 3.06Å; D869-C878 PolarHBondContact OD1-N 2.71Å; C878-R902 PolarHBondContact O-NH2 3.34Å |
| 879 | V | 81.7 | Confident | 75.7 | Confident | 12 Ų | 12 | 63.9 Ų | 63.9 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 120.8 | 176.5 | -172.3 | 0 | 0 | 0 | 0 | 108.3 | T877 E881 K882 Y884 L896 E898 | T877-V879 HydrophobicContact CG2-CG2 4.09Å; V879-E881 PolarHBondContact O-N 2.05Å; V879-K882 PolarHBondContact N-O 3.15Å; V879-K882 PolarHBondContact O-N 3.48Å; V879-K882 VanDerWaalsContact O-N 3.08Å; V879-K882 VanDerWaalsContact O-O 3.13Å; V879-Y884 HydrophobicContact CB-CD2 3.91Å; V879-Y884 HydrophobicContact CB-CE2 4.36Å; V879-Y884 HydrophobicContact CG2-CD2 4.46Å; V879-L896 HydrophobicContact CB-CD1 4.38Å; V879-L896 HydrophobicContact CG1-CD1 3.74Å; V879-E898 HydrophobicContact CB-CB 4.41Å; V879-E898 HydrophobicContact CG1-CB 3.78Å; V879-E898 HydrophobicContact CG1-CG 3.79Å; V879-E898 HydrophobicContact CG2-CB 3.68Å; V879-E898 HydrophobicContact CG2-CG 4.49Å |
| 880 | R | 84 | Confident | 76.1 | Confident | 179 Ų | 179 | 62.6 Ų | 62.6 | 68% | 0.675 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 56 | 178.9 | -56.8 | 172.7 | -153.9 | -168.2 | 6.8 | 112 | K882 E898 | R880-K882 PolarHBondContact O-N 3.33Å; R880-K882 VanDerWaalsContact O-N 3.12Å; R880-E898 IonicContact CZ-OE1 3.61Å; R880-E898 IonicContact NE-OE1 3.54Å; R880-E898 PolarHBondContact NE-OE1 3.34Å; R880-E898 IonicContact NH2-OE1 3.24Å; R880-E898 PolarHBondContact NH2-OE1 2.74Å |
| 881 | E | 84.9 | Confident | 77 | Confident | 133 Ų | 133 | 55.7 Ų | 55.7 | 62% | 0.621 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 13.1 | 180 | -54.5 | 178.4 | 164 | 0 | 0 | 115.4 | H865 C866 V879 | H865-E881 VanDerWaalsContact CA-O 3.26Å; H865-E881 WeakPolarHBondContact CA-O 3.39Å; C866-E881 PolarHBondContact N-O 3.42Å; C866-E881 WeakPolarHBondContact O-CA 3.34Å; V879-E881 PolarHBondContact O-N 2.05Å |
| 882 | K | 83.5 | Confident | 78.2 | Confident | 102 Ų | 102 | 59.6 Ų | 59.6 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 140.2 | 178.6 | -68.4 | 178.4 | -177.4 | 174.9 | 0 | 113.9 | N864 C866 V879 R880 Y884 | N864-K882 CarbonylContact O-C 3.47Å; N864-K882 VanDerWaalsContact O-CA 3.3Å; N864-K882 WeakPolarHBondContact O-CA 3.4Å; C866-K882 PolarHBondContact SG-N 2.82Å; V879-K882 PolarHBondContact N-O 3.15Å; V879-K882 PolarHBondContact O-N 3.48Å; V879-K882 VanDerWaalsContact O-N 3.08Å; V879-K882 VanDerWaalsContact O-O 3.13Å; R880-K882 PolarHBondContact O-N 3.33Å; R880-K882 VanDerWaalsContact O-N 3.12Å; K882-Y884 HydrophobicContact CB-CD2 4.21Å; K882-Y884 HydrophobicContact CB-CE2 3.79Å; K882-Y884 WeakPolarHBondContact O-CD2 3.36Å; K882-Y884 PolarHBondContact O-N 2.98Å |
| 883 | C | 77.7 | Confident | 79.1 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 10% | 0.095 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 102.5 | 174.6 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | N864 D871 C872 K876 T877 | N864-C883 PolarHBondContact O-N 2.91Å; D871-C883 PolarHBondContact O-SG 3.22Å; C872-C883 WeakPolarHBondContact CA-SG 3.24Å; C872-C883 HydrophobicContact CB-CB 3.86Å; C872-C883 WeakPolarHBondContact CB-SG 3.38Å; C872-C883 VanDerWaalsContact SG-CA 3.51Å; C872-C883 WeakPolarHBondContact SG-CB 3.37Å; C872-C883 CovalentContact SG-SG 2.04Å; C872-C883 PolarHBondContact SG-SG 2.79Å; K876-C883 HydrophobicContact CB-CB 4.38Å; K876-C883 HydrophobicContact CD-CB 3.87Å; T877-C883 WeakPolarHBondContact O-CA 3.31Å |
| 884 | Y | 84 | Confident | 80.3 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 19% | 0.188 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 152.3 | 174.4 | -73.7 | -84.7 | 0 | 0 | 0 | 111.9 | K876 T877 V879 K882 E895 L896 Q899 | K876-Y884 CarbonylContact C-O 3.57Å; K876-Y884 WeakPolarHBondContact CA-O 2.97Å; K876-Y884 WeakPolarHBondContact CB-O 3.4Å; T877-Y884 PolarHBondContact N-O 3.41Å; T877-Y884 PolarHBondContact O-N 3.07Å; V879-Y884 HydrophobicContact CB-CD2 3.91Å; V879-Y884 HydrophobicContact CB-CE2 4.36Å; V879-Y884 HydrophobicContact CG2-CD2 4.46Å; K882-Y884 HydrophobicContact CB-CD2 4.21Å; K882-Y884 HydrophobicContact CB-CE2 3.79Å; K882-Y884 WeakPolarHBondContact O-CD2 3.36Å; K882-Y884 PolarHBondContact O-N 2.98Å; Y884-E895 HydrophobicContact CE1-CB 4.47Å; Y884-E895 WeakPolarHBondContact CE1-OE2 3.36Å; Y884-L896 HydrophobicContact CD2-CD1 4.22Å; Y884-L896 HydrophobicContact CE1-CD1 4.48Å; Y884-L896 HydrophobicContact CE2-CD1 3.67Å; Y884-Q899 HydrophobicContact CD1-CG 4.37Å; Y884-Q899 HydrophobicContact CG-CG 4.14Å |
| 885 | K | 82.1 | Confident | 81.5 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 138.3 | 176.1 | -161.7 | -155 | 162.6 | -143.7 | 0 | 110.7 | D875 L887 E891 | D875-K885 WeakPolarHBondContact O-CG 3.08Å; K885-L887 HydrophobicContact CD-CD2 3.8Å; K885-L887 HydrophobicContact CD-CG 4.4Å; K885-E891 VanDerWaalsContact NZ-CD 3.3Å; K885-E891 IonicContact NZ-OE1 2.91Å; K885-E891 PolarHBondContact NZ-OE1 3.05Å; K885-E891 IonicContact NZ-OE2 3.04Å; K885-E891 PolarHBondContact NZ-OE2 2.03Å |
| 886 | L | 82.4 | Confident | 82.7 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 24% | 0.241 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 128.6 | 163.8 | -72 | 165.8 | 0 | 0 | 0 | 109.2 | D875 T877 R902 | D875-L886 PolarHBondContact O-N 3.43Å; T877-L886 HydrophobicContact CG2-CD2 3.65Å; T877-L886 HydrophobicContact CG2-CG 4.12Å; L886-R902 HydrophobicContact CD2-CB 3.49Å; L886-R902 VanDerWaalsContact CD2-CB 3.49Å |
| 887 | L | 84.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | trans | -126.9 | 125.4 | -171.2 | -73 | 168.4 | 0 | 0 | 0 | 111.9 | K885 E891 C894 Q899 T903 C920 | K885-L887 HydrophobicContact CD-CD2 3.8Å; K885-L887 HydrophobicContact CD-CG 4.4Å; L887-E891 WeakPolarHBondContact CA-OE2 3.37Å; L887-E891 HydrophobicContact CB-CB 4.42Å; L887-E891 HydrophobicContact CD2-CB 3.76Å; L887-C894 HydrophobicContact CD1-CB 3.59Å; L887-Q899 HydrophobicContact CD1-CB 4.28Å; L887-Q899 PolarHBondContact N-O 2.93Å; L887-Q899 VanDerWaalsContact N-O 3.1Å; L887-T903 PolarHBondContact N-OG1 3.42Å; L887-T903 VanDerWaalsContact N-OG1 3.13Å; L887-T903 WeakPolarHBondContact O-CB 3.46Å; L887-T903 PolarHBondContact O-OG1 2.85Å; L887-C920 HydrophobicContact CB-CB 4.44Å; L887-C920 WeakPolarHBondContact CB-SG 3.01Å | ||
| 888 | K | 80.3 | Confident | 83.7 | Confident | 119 Ų | 119 | 64 Ų | 64 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | trans | -78.3 | 157.4 | 178.4 | -66.6 | -174.7 | 178.9 | -170.4 | 0 | 111.9 | G890 E891 T903 C920 | K888-G890 PolarHBondContact O-N 2.86Å; K888-G890 VanDerWaalsContact O-N 3.17Å; K888-E891 HydrophobicContact CB-CG 4.18Å; K888-E891 PolarHBondContact N-OE2 2.89Å; K888-E891 WeakPolarHBondContact O-CB 3.05Å; K888-E891 PolarHBondContact O-N 3.05Å; K888-T903 HydrophobicContact CG-CG2 3.75Å; K888-C920 WeakPolarHBondContact O-CB 3.05Å | ||
| 889 | P | 77.3 | Confident | 83.9 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.032 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 122 | 173.4 | -29.9 | 40.3 | 0 | 0 | 0 | 112.1 | L904 T907 Y927 F931 | P889-L904 HydrophobicContact CG-CD2 4.18Å; P889-T907 HydrophobicContact CG-CG2 3.63Å; P889-Y927 HydrophobicContact CB-CD1 3.8Å; P889-Y927 HydrophobicContact CB-CE1 3.55Å; P889-F931 HydrophobicContact CB-CB 4.45Å; P889-F931 VanDerWaalsContact CG-O 3.26Å; P889-F931 WeakPolarHBondContact CG-O 3.18Å; P889-F931 WeakPolarHBondContact O-CD1 2.98Å |
| 890 | G | 76.9 | Confident | 84.2 | Confident | 35 Ų | 35 | 62.9 Ų | 62.9 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -13.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | K888 C920 | K888-G890 PolarHBondContact O-N 2.86Å; K888-G890 VanDerWaalsContact O-N 3.17Å; G890-C920 PolarHBondContact N-O 2.95Å |
| 891 | E | 82.2 | Confident | 84.3 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 33% | 0.327 | 29% | 0.29 | S | S | . | . | trans | -75.3 | 140.1 | 172.7 | -68.5 | -165.6 | 117.6 | 0 | 0 | 111.9 | K885 L887 K888 Y919 C920 | K885-E891 VanDerWaalsContact NZ-CD 3.3Å; K885-E891 IonicContact NZ-OE1 2.91Å; K885-E891 PolarHBondContact NZ-OE1 3.05Å; K885-E891 IonicContact NZ-OE2 3.04Å; K885-E891 PolarHBondContact NZ-OE2 2.03Å; L887-E891 WeakPolarHBondContact CA-OE2 3.37Å; L887-E891 HydrophobicContact CB-CB 4.42Å; L887-E891 HydrophobicContact CD2-CB 3.76Å; K888-E891 HydrophobicContact CB-CG 4.18Å; K888-E891 PolarHBondContact N-OE2 2.89Å; K888-E891 WeakPolarHBondContact O-CB 3.05Å; K888-E891 PolarHBondContact O-N 3.05Å; E891-Y919 CarbonylContact O-C 3.54Å; E891-Y919 VanDerWaalsContact O-CA 3.26Å; E891-Y919 WeakPolarHBondContact O-CA 3.27Å; E891-Y919 WeakPolarHBondContact O-CB 3.39Å; E891-C920 PolarHBondContact O-N 3.06Å | ||
| 892 | Y | 86.5 | Confident | 84.1 | Confident | 140 Ų | 140 | 58.1 Ų | 58.1 | 55% | 0.549 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 152.4 | 177.2 | -69 | -102.8 | 0 | 0 | 0 | 110.9 | I917 Y919 | Y892-I917 HydrophobicContact CD1-CG2 4.34Å; Y892-Y919 HydrophobicContact CD1-CD1 4.45Å; Y892-Y919 HydrophobicContact CD1-CG 4.47Å; Y892-Y919 AromaticContact CE1-CD1 3.99Å; Y892-Y919 HydrophobicContact CE1-CD1 3.99Å; Y892-Y919 HydrophobicContact CE1-CG 4.24Å |
| 893 | G | 85.1 | Confident | 83.9 | Confident | 41 Ų | 41 | 55.5 Ų | 55.5 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.3 | 14.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | G918 | G893-G918 PolarHBondContact N-O 2.93Å |
| 894 | C | 88.2 | Confident | 83.8 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.02 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 148.2 | 174.3 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | L887 C909 G918 Y919 | L887-C894 HydrophobicContact CD1-CB 3.59Å; C894-C909 HydrophobicContact CB-CB 3.82Å; C894-C909 WeakPolarHBondContact CB-SG 3.02Å; C894-C909 PolarHBondContact O-SG 2.99Å; C894-C909 WeakPolarHBondContact SG-CA 2.98Å; C894-C909 WeakPolarHBondContact SG-CB 3.31Å; C894-C909 CovalentContact SG-SG 2.04Å; C894-C909 PolarHBondContact SG-SG 3.21Å; C894-G918 PolarHBondContact N-O 3.06Å; C894-Y919 PolarHBondContact SG-N 3.44Å; C894-Y919 VanDerWaalsContact SG-N 3.38Å |
| 895 | E | 87.4 | Confident | 83.6 | Confident | 128 Ų | 128 | 62.8 Ų | 62.8 | 60% | 0.598 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -122.2 | -19.1 | 171.7 | -57.1 | 176.7 | -170 | 0 | 0 | 112.1 | Y884 Q899 | Y884-E895 HydrophobicContact CE1-CB 4.47Å; Y884-E895 WeakPolarHBondContact CE1-OE2 3.36Å; E895-Q899 VanDerWaalsContact N-NE2 3.12Å |
| 896 | L | 89.6 | Confident | 83.6 | Confident | 29 Ų | 29 | 63 Ų | 63 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -139.2 | 146.9 | -172.6 | -65.9 | 174.7 | 0 | 0 | 0 | 109.5 | V879 Y884 E898 Q899 | V879-L896 HydrophobicContact CB-CD1 4.38Å; V879-L896 HydrophobicContact CG1-CD1 3.74Å; Y884-L896 HydrophobicContact CD2-CD1 4.22Å; Y884-L896 HydrophobicContact CE1-CD1 4.48Å; Y884-L896 HydrophobicContact CE2-CD1 3.67Å; L896-E898 PolarHBondContact O-N 2.85Å; L896-Q899 HydrophobicContact CB-CG 4.26Å; L896-Q899 WeakPolarHBondContact O-CB 3.02Å; L896-Q899 PolarHBondContact O-N 3.36Å |
| 897 | N | 89.1 | Confident | 83.8 | Confident | 81 Ų | 81 | 61.1 Ų | 61.1 | 43% | 0.433 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -34.1 | 179.2 | -70.1 | -27 | 0 | 0 | 0 | 111.5 | Q899 C900 N901 C909 | N897-Q899 PolarHBondContact O-N 3.34Å; N897-C900 PolarHBondContact O-N 3.35Å; N897-N901 WeakPolarHBondContact O-CB 3.35Å; N897-N901 PolarHBondContact O-N 3.08Å; N897-C909 PolarHBondContact OD1-N 3.29Å |
| 898 | E | 87.7 | Confident | 84.1 | Confident | 56 Ų | 56 | 64 Ų | 64 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -53.2 | -33.6 | 178 | -60.6 | 92.7 | 124 | 0 | 0 | 112.5 | V879 R880 L896 C900 R902 | V879-E898 HydrophobicContact CB-CB 4.41Å; V879-E898 HydrophobicContact CG1-CB 3.78Å; V879-E898 HydrophobicContact CG1-CG 3.79Å; V879-E898 HydrophobicContact CG2-CB 3.68Å; V879-E898 HydrophobicContact CG2-CG 4.49Å; R880-E898 IonicContact CZ-OE1 3.61Å; R880-E898 IonicContact NE-OE1 3.54Å; R880-E898 PolarHBondContact NE-OE1 3.34Å; R880-E898 IonicContact NH2-OE1 3.24Å; R880-E898 PolarHBondContact NH2-OE1 2.74Å; L896-E898 PolarHBondContact O-N 2.85Å; E898-C900 VanDerWaalsContact C-N 3.33Å; E898-C900 PolarHBondContact O-N 2.93Å; E898-R902 VanDerWaalsContact O-CB 3.29Å; E898-R902 WeakPolarHBondContact O-CB 3.3Å; E898-R902 WeakPolarHBondContact O-CG 3.48Å; E898-R902 PolarHBondContact O-N 3.03Å |
| 899 | Q | 87.2 | Confident | 84.6 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.4 | -34.5 | 178.4 | -59.3 | -177 | 39.9 | 0 | 0 | 113 | Y884 L887 E895 L896 N897 T903 | Y884-Q899 HydrophobicContact CD1-CG 4.37Å; Y884-Q899 HydrophobicContact CG-CG 4.14Å; L887-Q899 HydrophobicContact CD1-CB 4.28Å; L887-Q899 PolarHBondContact N-O 2.93Å; L887-Q899 VanDerWaalsContact N-O 3.1Å; E895-Q899 VanDerWaalsContact N-NE2 3.12Å; L896-Q899 HydrophobicContact CB-CG 4.26Å; L896-Q899 WeakPolarHBondContact O-CB 3.02Å; L896-Q899 PolarHBondContact O-N 3.36Å; N897-Q899 PolarHBondContact O-N 3.34Å; Q899-T903 PolarHBondContact O-OG1 3.41Å |
| 900 | C | 87.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -82.6 | -53.4 | 176.1 | -46.4 | 0 | 0 | 0 | 0 | 110 | N897 E898 R902 T903 L904 T907 C920 | N897-C900 PolarHBondContact O-N 3.35Å; E898-C900 VanDerWaalsContact C-N 3.33Å; E898-C900 PolarHBondContact O-N 2.93Å; C900-R902 VanDerWaalsContact C-N 3.25Å; C900-R902 PolarHBondContact O-N 2.84Å; C900-T903 WeakPolarHBondContact O-CA 3.33Å; C900-T903 VanDerWaalsContact O-CB 3.31Å; C900-T903 WeakPolarHBondContact O-CB 3.27Å; C900-T903 PolarHBondContact O-N 2.85Å; C900-L904 PolarHBondContact O-N 3.17Å; C900-L904 VanDerWaalsContact O-N 3.09Å; C900-T907 WeakPolarHBondContact CB-OG1 3.2Å; C900-T907 PolarHBondContact O-OG1 3.29Å; C900-C920 VanDerWaalsContact CA-SG 3.51Å; C900-C920 HydrophobicContact CB-CB 3.69Å; C900-C920 WeakPolarHBondContact CB-SG 3.06Å; C900-C920 WeakPolarHBondContact SG-CA 3.47Å; C900-C920 WeakPolarHBondContact SG-CB 3.49Å; C900-C920 CovalentContact SG-SG 2.03Å; C900-C920 PolarHBondContact SG-SG 3.35Å |
| 901 | N | 86.6 | Confident | 85.8 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 43% | 0.428 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.6 | -24.8 | -167.7 | -163.3 | 59.8 | 0 | 0 | 0 | 113.3 | N897 T903 L904 T907 | N897-N901 WeakPolarHBondContact O-CB 3.35Å; N897-N901 PolarHBondContact O-N 3.08Å; N901-T903 VanDerWaalsContact C-N 3.31Å; N901-L904 WeakPolarHBondContact CA-O 3.38Å; N901-L904 CarbonylContact O-C 3.48Å; N901-T907 WeakPolarHBondContact CA-OG1 3.37Å; N901-T907 PolarHBondContact N-OG1 2.7Å |
| 902 | R | 81.7 | Confident | 85.7 | Confident | 132 Ų | 132 | 62.3 Ų | 62.3 | 50% | 0.498 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -23.4 | 170 | -70.9 | -84.1 | -151 | 146.9 | 16.4 | 113.6 | D869 T877 C878 L886 E898 C900 | D869-R902 IonicContact OD1-CZ 3.33Å; D869-R902 IonicContact OD1-NH1 3.44Å; D869-R902 PolarHBondContact OD1-NH1 3.12Å; D869-R902 IonicContact OD1-NH2 2.92Å; D869-R902 PolarHBondContact OD1-NH2 3.26Å; D869-R902 IonicContact OD2-CZ 3.19Å; D869-R902 IonicContact OD2-NH1 2.75Å; D869-R902 PolarHBondContact OD2-NH1 3.2Å; D869-R902 IonicContact OD2-NH2 2.79Å; D869-R902 PolarHBondContact OD2-NH2 3.07Å; T877-R902 HydrophobicContact CG2-CB 4.33Å; T877-R902 HydrophobicContact CG2-CG 4.15Å; T877-R902 PolarHBondContact OG1-NE 3.28Å; T877-R902 VanDerWaalsContact OG1-NE 3.13Å; T877-R902 PolarHBondContact OG1-NH2 2.98Å; C878-R902 PolarHBondContact O-NH2 3.34Å; L886-R902 HydrophobicContact CD2-CB 3.49Å; L886-R902 VanDerWaalsContact CD2-CB 3.49Å; E898-R902 VanDerWaalsContact O-CB 3.29Å; E898-R902 WeakPolarHBondContact O-CB 3.3Å; E898-R902 WeakPolarHBondContact O-CG 3.48Å; E898-R902 PolarHBondContact O-N 3.03Å; C900-R902 VanDerWaalsContact C-N 3.25Å; C900-R902 PolarHBondContact O-N 2.84Å |
| 903 | T | 77.9 | Confident | 85.3 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -36.3 | 179.6 | -49.6 | 0 | 0 | 0 | 0 | 111.5 | L887 K888 Q899 C900 N901 | L887-T903 PolarHBondContact N-OG1 3.42Å; L887-T903 VanDerWaalsContact N-OG1 3.13Å; L887-T903 WeakPolarHBondContact O-CB 3.46Å; L887-T903 PolarHBondContact O-OG1 2.85Å; K888-T903 HydrophobicContact CG-CG2 3.75Å; Q899-T903 PolarHBondContact O-OG1 3.41Å; C900-T903 WeakPolarHBondContact O-CA 3.33Å; C900-T903 VanDerWaalsContact O-CB 3.31Å; C900-T903 WeakPolarHBondContact O-CB 3.27Å; C900-T903 PolarHBondContact O-N 2.85Å; N901-T903 VanDerWaalsContact C-N 3.31Å |
| 904 | L | 76.7 | Confident | 84.8 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -157.6 | 135.3 | 171 | -167.9 | 78.4 | 0 | 0 | 0 | 110.3 | P889 C900 N901 T907 C933 | P889-L904 HydrophobicContact CG-CD2 4.18Å; C900-L904 PolarHBondContact O-N 3.17Å; C900-L904 VanDerWaalsContact O-N 3.09Å; N901-L904 WeakPolarHBondContact CA-O 3.38Å; N901-L904 CarbonylContact O-C 3.48Å; L904-T907 HydrophobicContact CB-CG2 4.02Å; L904-T907 HydrophobicContact CD2-CG2 4.3Å; L904-T907 WeakPolarHBondContact O-CB 3.44Å; L904-T907 VanDerWaalsContact O-CG2 3.31Å; L904-T907 WeakPolarHBondContact O-CG2 3.5Å; L904-T907 PolarHBondContact O-OG1 2.04Å; L904-C933 HydrophobicContact CD2-CB 4.19Å; L904-C933 VanDerWaalsContact CD2-N 3.32Å |
| 905 | E | 79.1 | Confident | 84.1 | Confident | 156 Ų | 156 | 74.6 Ų | 74.6 | 73% | 0.729 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 160.9 | 173.8 | -62.1 | -174.2 | 167.8 | 0 | 0 | 112.5 | T907 | E905-T907 PolarHBondContact O-N 2.03Š|
| 906 | E | 81.8 | Confident | 83.7 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 21.1 | -170.1 | -58.6 | -168 | 160.7 | 0 | 0 | 115.2 | A923 K924 | E906-A923 HydrophobicContact CB-CB 4.4Å; E906-A923 WeakPolarHBondContact O-CB 3.35Å; E906-A923 PolarHBondContact O-N 3.03Å; E906-K924 VanDerWaalsContact OE1-CE 3.32Å; E906-K924 WeakPolarHBondContact OE1-CE 3.34Å; E906-K924 IonicContact OE1-NZ 2.83Å; E906-K924 PolarHBondContact OE1-NZ 2.82Å; E906-K924 WeakPolarHBondContact OE2-CE 3.39Å; E906-K924 IonicContact OE2-NZ 2.67Å; E906-K924 PolarHBondContact OE2-NZ 3.43Å |
| 907 | T | 86.6 | Confident | 83.4 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 4% | 0.037 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 148.4 | 174.7 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | P889 C900 N901 L904 E905 R921 C933 | P889-T907 HydrophobicContact CG-CG2 3.63Å; C900-T907 WeakPolarHBondContact CB-OG1 3.2Å; C900-T907 PolarHBondContact O-OG1 3.29Å; N901-T907 WeakPolarHBondContact CA-OG1 3.37Å; N901-T907 PolarHBondContact N-OG1 2.7Å; L904-T907 HydrophobicContact CB-CG2 4.02Å; L904-T907 HydrophobicContact CD2-CG2 4.3Å; L904-T907 WeakPolarHBondContact O-CB 3.44Å; L904-T907 VanDerWaalsContact O-CG2 3.31Å; L904-T907 WeakPolarHBondContact O-CG2 3.5Å; L904-T907 PolarHBondContact O-OG1 2.04Å; E905-T907 PolarHBondContact O-N 2.03Å; T907-R921 WeakPolarHBondContact CA-O 2.99Å; T907-C933 WeakPolarHBondContact CG2-SG 3.39Å |
| 908 | F | 90.7 | Very high | 83.4 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 29% | 0.285 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.9 | -179.1 | 76.1 | -75.8 | 0 | 0 | 0 | 110.9 | F910 R921 | F908-F910 HydrophobicContact CE2-CB 3.93Å; F908-F910 AromaticContact CE2-CD2 3.85Å; F908-F910 HydrophobicContact CE2-CD2 3.85Å; F908-F910 HydrophobicContact CE2-CG 4.39Å; F908-F910 HydrophobicContact CZ-CB 4.18Å; F908-F910 AromaticContact CZ-CD2 3.95Å; F908-F910 HydrophobicContact CZ-CD2 3.95Å; F908-F910 HydrophobicContact CZ-CG 4.48Å; F908-F910 PolarHBondContact O-N 2.04Å; F908-R921 HydrophobicContact CD1-CB 4.4Å; F908-R921 WeakPolarHBondContact CD1-O 3.49Å; F908-R921 HydrophobicContact CE1-CB 3.99Å; F908-R921 HydrophobicContact CE1-CG 4.2Å; F908-R921 HydrophobicContact CZ-CB 4.32Å; F908-R921 HydrophobicContact CZ-CG 4.48Å; F908-R921 PolarHBondContact N-O 3.38Å; F908-R921 PolarHBondContact O-N 2.82Å |
| 909 | C | 91.1 | Very high | 83.4 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116 | 178.1 | -172.9 | 0 | 0 | 0 | 0 | 110 | C894 N897 | C894-C909 HydrophobicContact CB-CB 3.82Å; C894-C909 WeakPolarHBondContact CB-SG 3.02Å; C894-C909 PolarHBondContact O-SG 2.99Å; C894-C909 WeakPolarHBondContact SG-CA 2.98Å; C894-C909 WeakPolarHBondContact SG-CB 3.31Å; C894-C909 CovalentContact SG-SG 2.04Å; C894-C909 PolarHBondContact SG-SG 3.21Å; N897-C909 PolarHBondContact OD1-N 3.29Å |
| 910 | F | 90.9 | Very high | 83.5 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 116 | -179.2 | -178.3 | -92.4 | 0 | 0 | 0 | 110.9 | F908 A912 Y919 R921 | F908-F910 HydrophobicContact CE2-CB 3.93Å; F908-F910 AromaticContact CE2-CD2 3.85Å; F908-F910 HydrophobicContact CE2-CD2 3.85Å; F908-F910 HydrophobicContact CE2-CG 4.39Å; F908-F910 HydrophobicContact CZ-CB 4.18Å; F908-F910 AromaticContact CZ-CD2 3.95Å; F908-F910 HydrophobicContact CZ-CD2 3.95Å; F908-F910 HydrophobicContact CZ-CG 4.48Å; F908-F910 PolarHBondContact O-N 2.04Å; F910-A912 HydrophobicContact CE1-CB 3.93Å; F910-Y919 HydrophobicContact CD1-CD1 4.4Å; F910-Y919 AromaticContact CD1-CE1 3.58Å; F910-Y919 HydrophobicContact CD1-CE1 3.58Å; F910-Y919 AromaticContact CD1-CZ 3.68Å; F910-Y919 HydrophobicContact CE1-CE1 4.26Å; F910-Y919 PolarHBondContact N-O 2.86Å; F910-Y919 PolarHBondContact O-N 3.37Å; F910-R921 HydrophobicContact CB-CB 3.77Å; F910-R921 HydrophobicContact CB-CG 4.41Å; F910-R921 VanDerWaalsContact CE1-NH1 3.28Å |
| 911 | H | 88.9 | Confident | 83.5 | Confident | 98 Ų | 98 | 74 Ų | 74 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | trans | -92.3 | 120.8 | 167.3 | -64.3 | -100.4 | 0 | 0 | 0 | 109.4 | G918 | H911-G918 PolarHBondContact CE1-N 2.9Å; H911-G918 PolarHBondContact ND1-N 3.5Å | ||
| 912 | A | 80.6 | Confident | 83.4 | Confident | 27 Ų | 27 | 70.2 Ų | 70.2 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | trans | -77.8 | 143.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F910 N914 I915 | F910-A912 HydrophobicContact CE1-CB 3.93Å; A912-N914 PolarHBondContact O-N 3.42Å; A912-I915 HydrophobicContact CB-CB 4.16Å; A912-I915 HydrophobicContact CB-CD1 4.01Å; A912-I915 HydrophobicContact CB-CG1 4.02Å; A912-I915 PolarHBondContact O-N 3.33Å | ||
| 913 | K | 77.8 | Confident | 83.3 | Confident | 215 Ų | 215 | 66.8 Ų | 66.8 | 94% | 0.935 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -20.7 | -176.9 | -73.2 | -170 | 173.1 | -172.7 | 0 | 115.4 | ||
| 914 | N | 75.1 | Confident | 83 | Confident | 158 Ų | 158 | 67.4 Ų | 67.4 | 85% | 0.845 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 12 | -177.3 | -58.1 | 7 | 0 | 0 | 0 | 113.2 | A912 | A912-N914 PolarHBondContact O-N 3.42Š|
| 915 | I | 73.4 | Confident | 82.6 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 35% | 0.354 | 36% | 0.358 | S | S | . | . | trans | -130.5 | 117.4 | -179.5 | -53.1 | 178.6 | 0 | 0 | 0 | 108.8 | A912 I917 | A912-I915 HydrophobicContact CB-CB 4.16Å; A912-I915 HydrophobicContact CB-CD1 4.01Å; A912-I915 HydrophobicContact CB-CG1 4.02Å; A912-I915 PolarHBondContact O-N 3.33Å; I915-I917 VanDerWaalsContact C-N 3.25Å; I915-I917 HydrophobicContact CG2-CB 4.42Å; I915-I917 WeakPolarHBondContact CG2-O 3.41Å; I915-I917 PolarHBondContact O-N 2.03Å | ||
| 916 | P | 78 | Confident | 81.4 | Confident | 121 Ų | 121 | 69.8 Ų | 69.8 | 79% | 0.786 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -70.7 | -21.9 | -177 | 27.8 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 917 | I | 84.3 | Confident | 80.6 | Confident | 92 Ų | 92 | 70 Ų | 70 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -91.4 | 121.4 | -179.8 | -58.7 | 166 | 0 | 0 | 0 | 109.1 | Y892 I915 | Y892-I917 HydrophobicContact CD1-CG2 4.34Å; I915-I917 VanDerWaalsContact C-N 3.25Å; I915-I917 HydrophobicContact CG2-CB 4.42Å; I915-I917 WeakPolarHBondContact CG2-O 3.41Å; I915-I917 PolarHBondContact O-N 2.03Å |
| 918 | G | 87.4 | Confident | 79.1 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 150 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G893 C894 H911 | G893-G918 PolarHBondContact N-O 2.93Å; C894-G918 PolarHBondContact N-O 3.06Å; H911-G918 PolarHBondContact CE1-N 2.9Å; H911-G918 PolarHBondContact ND1-N 3.5Å |
| 919 | Y | 89.3 | Confident | 77.2 | Confident | 35 Ų | 35 | 77 Ų | 77 | 14% | 0.137 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.8 | 171 | 72.5 | -92.4 | 0 | 0 | 0 | 112.1 | E891 Y892 C894 F910 R921 | E891-Y919 CarbonylContact O-C 3.54Å; E891-Y919 VanDerWaalsContact O-CA 3.26Å; E891-Y919 WeakPolarHBondContact O-CA 3.27Å; E891-Y919 WeakPolarHBondContact O-CB 3.39Å; Y892-Y919 HydrophobicContact CD1-CD1 4.45Å; Y892-Y919 HydrophobicContact CD1-CG 4.47Å; Y892-Y919 AromaticContact CE1-CD1 3.99Å; Y892-Y919 HydrophobicContact CE1-CD1 3.99Å; Y892-Y919 HydrophobicContact CE1-CG 4.24Å; C894-Y919 PolarHBondContact SG-N 3.44Å; C894-Y919 VanDerWaalsContact SG-N 3.38Å; F910-Y919 HydrophobicContact CD1-CD1 4.4Å; F910-Y919 AromaticContact CD1-CE1 3.58Å; F910-Y919 HydrophobicContact CD1-CE1 3.58Å; F910-Y919 AromaticContact CD1-CZ 3.68Å; F910-Y919 HydrophobicContact CE1-CE1 4.26Å; F910-Y919 PolarHBondContact N-O 2.86Å; F910-Y919 PolarHBondContact O-N 3.37Å; Y919-R921 HydrophobicContact CD2-CB 4.36Å; Y919-R921 HydrophobicContact CE2-CB 3.96Å; Y919-R921 HydrophobicContact CE2-CG 4.04Å; Y919-R921 PolarHBondContact O-N 2.93Å |
| 920 | C | 88.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.5 | -179.6 | -73.1 | 0 | 0 | 0 | 0 | 111.1 | L887 K888 G890 E891 C900 | L887-C920 HydrophobicContact CB-CB 4.44Å; L887-C920 WeakPolarHBondContact CB-SG 3.01Å; K888-C920 WeakPolarHBondContact O-CB 3.05Å; G890-C920 PolarHBondContact N-O 2.95Å; E891-C920 PolarHBondContact O-N 3.06Å; C900-C920 VanDerWaalsContact CA-SG 3.51Å; C900-C920 HydrophobicContact CB-CB 3.69Å; C900-C920 WeakPolarHBondContact CB-SG 3.06Å; C900-C920 WeakPolarHBondContact SG-CA 3.47Å; C900-C920 WeakPolarHBondContact SG-CB 3.49Å; C900-C920 CovalentContact SG-SG 2.03Å; C900-C920 PolarHBondContact SG-SG 3.35Å |
| 921 | R | 86.9 | Confident | 73.9 | Confident | 37 Ų | 37 | 85.5 Ų | 85.5 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136.3 | -171.9 | -166.3 | 176.7 | -166.8 | 167.7 | 10.3 | 110.6 | T907 F908 F910 Y919 | T907-R921 WeakPolarHBondContact CA-O 2.99Å; F908-R921 HydrophobicContact CD1-CB 4.4Å; F908-R921 WeakPolarHBondContact CD1-O 3.49Å; F908-R921 HydrophobicContact CE1-CB 3.99Å; F908-R921 HydrophobicContact CE1-CG 4.2Å; F908-R921 HydrophobicContact CZ-CB 4.32Å; F908-R921 HydrophobicContact CZ-CG 4.48Å; F908-R921 PolarHBondContact N-O 3.38Å; F908-R921 PolarHBondContact O-N 2.82Å; F910-R921 HydrophobicContact CB-CB 3.77Å; F910-R921 HydrophobicContact CB-CG 4.41Å; F910-R921 VanDerWaalsContact CE1-NH1 3.28Å; Y919-R921 HydrophobicContact CD2-CB 4.36Å; Y919-R921 HydrophobicContact CE2-CB 3.96Å; Y919-R921 HydrophobicContact CE2-CG 4.04Å; Y919-R921 PolarHBondContact O-N 2.93Å |
| 922 | C | 84.1 | Confident | 72.5 | Confident | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 135.4 | 168 | -66.8 | 0 | 0 | 0 | 0 | 110.5 | K924 R925 L926 C933 | C922-K924 VanDerWaalsContact C-N 3.26Å; C922-K924 PolarHBondContact O-N 2.86Å; C922-R925 WeakPolarHBondContact O-CA 3.47Å; C922-R925 PolarHBondContact O-N 3.47Å; C922-L926 WeakPolarHBondContact CB-O 3.24Å; C922-L926 PolarHBondContact SG-O 3.12Å; C922-C933 WeakPolarHBondContact CA-SG 2.97Å; C922-C933 HydrophobicContact CB-CB 3.67Å; C922-C933 WeakPolarHBondContact CB-SG 3.46Å; C922-C933 WeakPolarHBondContact SG-CA 3.45Å; C922-C933 WeakPolarHBondContact SG-CB 3.42Å; C922-C933 CovalentContact SG-SG 2.03Å; C922-C933 PolarHBondContact SG-SG 3.15Å |
| 923 | A | 80.9 | Confident | 71.7 | Confident | 59 Ų | 59 | 87.8 Ų | 87.8 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -45.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | E906 R925 | E906-A923 HydrophobicContact CB-CB 4.4Å; E906-A923 WeakPolarHBondContact O-CB 3.35Å; E906-A923 PolarHBondContact O-N 3.03Å; A923-R925 VanDerWaalsContact C-N 3.29Å; A923-R925 PolarHBondContact O-N 2.93Å |
| 924 | K | 70.4 | Confident | 70.6 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 27% | 0.27 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -3.7 | 178.2 | -63.1 | 162.3 | -174 | 155.8 | 0 | 114.3 | E906 C922 L926 C934 | E906-K924 VanDerWaalsContact OE1-CE 3.32Å; E906-K924 WeakPolarHBondContact OE1-CE 3.34Å; E906-K924 IonicContact OE1-NZ 2.83Å; E906-K924 PolarHBondContact OE1-NZ 2.82Å; E906-K924 WeakPolarHBondContact OE2-CE 3.39Å; E906-K924 IonicContact OE2-NZ 2.67Å; E906-K924 PolarHBondContact OE2-NZ 3.43Å; C922-K924 VanDerWaalsContact C-N 3.26Å; C922-K924 PolarHBondContact O-N 2.86Å; K924-L926 PolarHBondContact O-N 2.03Å; K924-L926 VanDerWaalsContact O-N 3.15Å; K924-C934 WeakPolarHBondContact CB-O 3.26Å; K924-C934 VanDerWaalsContact CD-C 3.47Å; K924-C934 WeakPolarHBondContact CD-O 3.3Å; K924-C934 VanDerWaalsContact CD-OXT 3.27Å; K924-C934 WeakPolarHBondContact CD-OXT 3.28Å; K924-C934 PolarHBondContact NZ-OXT 2.86Å; K924-C934 VanDerWaalsContact NZ-OXT 3.1Å |
| 925 | R | 68.1 | Low | 70.4 | Confident | 161 Ų | 161 | 77.8 Ų | 77.8 | 61% | 0.608 | 39% | 0.385 | S | S | * | . | trans | 63.4 | 2 | -175.8 | -48.9 | 178.2 | 172.5 | -167.7 | -0.2 | 116.2 | C922 A923 Y927 | C922-R925 WeakPolarHBondContact O-CA 3.47Å; C922-R925 PolarHBondContact O-N 3.47Å; A923-R925 VanDerWaalsContact C-N 3.29Å; A923-R925 PolarHBondContact O-N 2.93Å; R925-Y927 WeakPolarHBondContact O-CD2 3.28Å; R925-Y927 WeakPolarHBondContact O-CE2 2.98Å | ||
| 926 | L | 54.2 | Low | 70.3 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 53% | 0.534 | 39% | 0.387 | S | S | . | . | trans | -87.6 | 140 | 174.4 | -59.9 | 173.3 | 0 | 0 | 0 | 110.1 | C922 K924 C934 | C922-L926 WeakPolarHBondContact CB-O 3.24Å; C922-L926 PolarHBondContact SG-O 3.12Å; K924-L926 PolarHBondContact O-N 2.03Å; K924-L926 VanDerWaalsContact O-N 3.15Å; L926-C934 HydrophobicContact CB-CB 3.94Å; L926-C934 WeakPolarHBondContact CB-O 3.43Å; L926-C934 HydrophobicContact CD1-CB 4.38Å | ||
| 927 | Y | 66.3 | Low | 69.8 | Low | 93 Ų | 93 | 75.9 Ų | 75.9 | 37% | 0.365 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -125.1 | 120.9 | 177.4 | -62.6 | -104.6 | 0 | 0 | 0 | 107.5 | P889 R925 | P889-Y927 HydrophobicContact CB-CD1 3.8Å; P889-Y927 HydrophobicContact CB-CE1 3.55Å; R925-Y927 WeakPolarHBondContact O-CD2 3.28Å; R925-Y927 WeakPolarHBondContact O-CE2 2.98Å |
| 928 | G | 55.3 | Low | 69 | Low | 29 Ų | 29 | 74.9 Ų | 74.9 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | trans | -91.7 | -172.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F931 R932 | G928-F931 PolarHBondContact O-N 2.87Å; G928-R932 PolarHBondContact N-O 2.87Å | ||
| 929 | F | 50.6 | Low | 67.8 | Low | 190 Ų | 190 | 79.6 Ų | 79.6 | 83% | 0.833 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -57.1 | 149.4 | 170.3 | -154.8 | -111 | 0 | 0 | 0 | 110.5 | F931 R932 | F929-F931 PolarHBondContact O-N 3.21Å; F929-R932 PolarHBondContact O-N 3.49Å |
| 930 | E | 54 | Low | 66.4 | Low | 122 Ų | 122 | 82.5 Ų | 82.5 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | 57.4 | 21.5 | -173.6 | -49.6 | -178 | 128.9 | 0 | 0 | 116.1 | R932 | E930-R932 HydrophobicContact CB-CG 4.45Å; E930-R932 PolarHBondContact O-N 2.87Å; E930-R932 IonicContact OE2-CZ 2.7Å; E930-R932 VanDerWaalsContact OE2-CZ 3.24Å; E930-R932 IonicContact OE2-NE 3.69Å; E930-R932 PolarHBondContact OE2-NE 2.92Å; E930-R932 IonicContact OE2-NH2 3.24Å; E930-R932 PolarHBondContact OE2-NH2 2.78Å |
| 931 | F | 57.7 | Low | 64.8 | Low | 125 Ų | 125 | 88.4 Ų | 88.4 | 55% | 0.548 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | 63.7 | 21.5 | -176.2 | -50.7 | -91.5 | 0 | 0 | 0 | 114.5 | P889 G928 F929 | P889-F931 HydrophobicContact CB-CB 4.45Å; P889-F931 VanDerWaalsContact CG-O 3.26Å; P889-F931 WeakPolarHBondContact CG-O 3.18Å; P889-F931 WeakPolarHBondContact O-CD1 2.98Å; G928-F931 PolarHBondContact O-N 2.87Å; F929-F931 PolarHBondContact O-N 3.21Å |
| 932 | R | 60.6 | Low | 63.1 | Low | 150 Ų | 150 | 92.4 Ų | 92.4 | 57% | 0.566 | 45% | 0.447 | S | S | * | . | trans | -67.2 | 149.4 | 172.4 | -60.5 | 179.1 | -170.8 | -130.7 | 5.7 | 110.5 | G928 F929 E930 | G928-R932 PolarHBondContact N-O 2.87Å; F929-R932 PolarHBondContact O-N 3.49Å; E930-R932 HydrophobicContact CB-CG 4.45Å; E930-R932 PolarHBondContact O-N 2.87Å; E930-R932 IonicContact OE2-CZ 2.7Å; E930-R932 VanDerWaalsContact OE2-CZ 3.24Å; E930-R932 IonicContact OE2-NE 3.69Å; E930-R932 PolarHBondContact OE2-NE 2.92Å; E930-R932 IonicContact OE2-NH2 3.24Å; E930-R932 PolarHBondContact OE2-NH2 2.78Å | ||
| 933 | C | 62.4 | Low | 61.4 | Low | 23 Ų | 23 | 100.1 Ų | 100.1 | 16% | 0.155 | 48% | 0.484 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 154 | 168.3 | -59.5 | 0 | 0 | 0 | 0 | 110.7 | L904 T907 C922 | L904-C933 HydrophobicContact CD2-CB 4.19Å; L904-C933 VanDerWaalsContact CD2-N 3.32Å; T907-C933 WeakPolarHBondContact CG2-SG 3.39Å; C922-C933 WeakPolarHBondContact CA-SG 2.97Å; C922-C933 HydrophobicContact CB-CB 3.67Å; C922-C933 WeakPolarHBondContact CB-SG 3.46Å; C922-C933 WeakPolarHBondContact SG-CA 3.45Å; C922-C933 WeakPolarHBondContact SG-CB 3.42Å; C922-C933 CovalentContact SG-SG 2.03Å; C922-C933 PolarHBondContact SG-SG 3.15Å |
| 934 | C | 56.1 | Low | 59.6 | Low | 85 Ų | 85 | 103.8 Ų | 103.8 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | trans | -130.6 | 0 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 110 | K924 L926 | K924-C934 WeakPolarHBondContact CB-O 3.26Å; K924-C934 VanDerWaalsContact CD-C 3.47Å; K924-C934 WeakPolarHBondContact CD-O 3.3Å; K924-C934 VanDerWaalsContact CD-OXT 3.27Å; K924-C934 WeakPolarHBondContact CD-OXT 3.28Å; K924-C934 PolarHBondContact NZ-OXT 2.86Å; K924-C934 VanDerWaalsContact NZ-OXT 3.1Å; L926-C934 HydrophobicContact CB-CB 3.94Å; L926-C934 WeakPolarHBondContact CB-O 3.43Å; L926-C934 HydrophobicContact CD1-CB 4.38Å |
Retrieved 934 of 934 residues in 1423.6 ms
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