| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.9 | Very low | 50.6 | Low | 107 Ų | 107 | 118.3 Ų | 118.3 | 53% | 0.527 | 53% | 0.528 | S | S | . | . | 0 | 153.2 | 0 | -67.9 | -160.9 | 170.5 | 0 | 0 | 106.9 | D444 | M1-D444 HydrophobicContact CE-CB 3.77Å; M1-D444 WeakPolarHBondContact CE-OD1 3.48Å; M1-D444 WeakPolarHBondContact CE-OD2 3.25Å; M1-D444 HydrophobicContact CG-CB 3.66Å; M1-D444 WeakPolarHBondContact CG-OD2 3.07Å; M1-D444 HydrophobicContact SD-CB 4.33Å; M1-D444 VanDerWaalsContact SD-CG 3.59Å | |||
| 2 | A | 56.6 | Low | 52.2 | Low | 5 Ų | 5 | 115.5 Ų | 115.5 | 4% | 0.041 | 52% | 0.517 | C | S | . | . | trans | -18.7 | 135.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I4 L393 V396 D439 | A2-I4 CarbonylContact O-C 3.56Å; A2-I4 WeakPolarHBondContact O-CA 3.14Å; A2-I4 PolarHBondContact O-N 2.8Å; A2-L393 HydrophobicContact CB-CD1 4.15Å; A2-L393 HydrophobicContact CB-CD2 4.13Å; A2-V396 HydrophobicContact CB-CG2 4.09Å; A2-D439 PolarHBondContact N-OD1 2.79Å | ||
| 3 | F | 63.9 | Low | 55 | Low | 15 Ų | 15 | 107.2 Ų | 107.2 | 7% | 0.066 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -40.8 | -9.7 | -173.6 | 56.3 | -94.4 | 0 | 0 | 0 | 118.9 | K5 P196 C256 G318 L321 Y324 L393 A397 H400 | F3-K5 VanDerWaalsContact C-N 3.35Å; F3-K5 PolarHBondContact O-N 3.4Å; F3-P196 HydrophobicContact CD2-CB 3.98Å; F3-P196 HydrophobicContact CD2-CG 3.28Å; F3-P196 HydrophobicContact CE2-CB 3.65Å; F3-P196 HydrophobicContact CE2-CG 3.5Å; F3-P196 HydrophobicContact CG-CG 3.91Å; F3-P196 HydrophobicContact CZ-CB 4.14Å; F3-P196 HydrophobicContact CZ-CG 4.32Å; F3-C256 WeakPolarHBondContact CA-SG 3.46Å; F3-C256 VanDerWaalsContact CB-SG 3.56Å; F3-G318 WeakPolarHBondContact CB-O 3.43Å; F3-G318 WeakPolarHBondContact CG-O 3.17Å; F3-L321 HydrophobicContact CD1-CD2 3.9Å; F3-L321 HydrophobicContact CE1-CD2 3.52Å; F3-L321 HydrophobicContact CZ-CD1 4.4Å; F3-L321 HydrophobicContact CZ-CD2 3.94Å; F3-Y324 AromaticContact CD1-CE2 3.61Å; F3-Y324 HydrophobicContact CD1-CE2 3.61Å; F3-Y324 HydrophobicContact CE1-CE2 4.28Å; F3-L393 HydrophobicContact CD1-CD1 4.31Å; F3-L393 HydrophobicContact CE1-CD1 3.73Å; F3-A397 HydrophobicContact CZ-CB 4.19Å; F3-H400 AromaticContact CE2-CE1 3.78Å; F3-H400 AromaticContact CE2-NE2 3.58Å |
| 4 | I | 62 | Low | 57.6 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 33% | 0.328 | 45% | 0.446 | S | S | . | . | trans | -65.2 | 88.5 | 162.4 | -50.3 | 174.9 | 0 | 0 | 0 | 109.2 | A2 R6 V396 A397 | A2-I4 CarbonylContact O-C 3.56Å; A2-I4 WeakPolarHBondContact O-CA 3.14Å; A2-I4 PolarHBondContact O-N 2.8Å; I4-R6 PolarHBondContact O-N 2.94Å; I4-R6 VanDerWaalsContact O-N 3.13Å; I4-V396 VanDerWaalsContact CD1-O 3.24Å; I4-V396 WeakPolarHBondContact CD1-O 3.32Å; I4-A397 HydrophobicContact CD1-CB 3.78Å | ||
| 5 | K | 56.4 | Low | 59.8 | Low | 87 Ų | 87 | 94.5 Ų | 94.5 | 38% | 0.378 | 43% | 0.427 | S | S | . | . | trans | -51.2 | 124.4 | 152.9 | -77.3 | -179.8 | 175.4 | 164.1 | 0 | 105.3 | F3 K7 S257 D258 | F3-K5 VanDerWaalsContact C-N 3.35Å; F3-K5 PolarHBondContact O-N 3.4Å; K5-K7 PolarHBondContact O-N 3.44Å; K5-S257 PolarHBondContact NZ-O 3Å; K5-D258 IonicContact NZ-OD1 3.88Å; K5-D258 PolarHBondContact NZ-OD1 3.06Å | ||
| 6 | R | 45.3 | Very low | 61.9 | Low | 198 Ų | 198 | 89.3 Ų | 89.3 | 75% | 0.747 | 40% | 0.403 | S | S | * | . | trans | -65 | 66.8 | 171.9 | -74 | -176.9 | 179.8 | -178.3 | -1 | 108.3 | I4 E8 | I4-R6 PolarHBondContact O-N 2.94Å; I4-R6 VanDerWaalsContact O-N 3.13Å; R6-E8 PolarHBondContact O-N 2.88Å | ||
| 7 | K | 41.7 | Very low | 63.7 | Low | 146 Ų | 146 | 84.6 Ų | 84.6 | 64% | 0.635 | 38% | 0.383 | S | S | * | . | trans | -60 | 130.3 | 162.2 | -83.8 | -167.1 | 172.4 | -170.1 | 0 | 104.8 | K5 R9 E221 | K5-K7 PolarHBondContact O-N 3.44Å; K7-R9 PolarHBondContact O-N 2.86Å; K7-R9 VanDerWaalsContact O-N 3.14Å; K7-E221 IonicContact NZ-OE1 3.35Å; K7-E221 PolarHBondContact NZ-OE1 3.14Å | ||
| 8 | E | 38 | Very low | 65.4 | Low | 188 Ų | 188 | 80.2 Ų | 80.2 | 88% | 0.879 | 36% | 0.363 | S | S | * | . | trans | -43.8 | 125.9 | 168.5 | -70.2 | -179.5 | 147.8 | 0 | 0 | 107.5 | R6 S10 | R6-E8 PolarHBondContact O-N 2.88Å; E8-S10 PolarHBondContact O-N 3.37Å | ||
| 9 | R | 42 | Very low | 66.8 | Low | 214 Ų | 214 | 76.6 Ų | 76.6 | 81% | 0.808 | 35% | 0.347 | S | S | * | . | trans | -42 | 115.1 | -176.8 | -85.2 | 178.4 | 168.7 | 175.8 | -4.6 | 108.5 | K7 K11 | K7-R9 PolarHBondContact O-N 2.86Å; K7-R9 VanDerWaalsContact O-N 3.14Å; R9-K11 PolarHBondContact O-N 3.46Å | ||
| 10 | S | 48.5 | Very low | 67.8 | Low | 75 Ų | 75 | 76.1 Ų | 76.1 | 52% | 0.524 | 35% | 0.348 | S | S | . | . | trans | -45.9 | 140.4 | 171.3 | 170.7 | 0 | 0 | 0 | 0 | 108.6 | E8 E12 | E8-S10 PolarHBondContact O-N 3.37Å; S10-E12 PolarHBondContact O-N 3.1Å; S10-E12 PolarHBondContact OG-N 3.49Å; S10-E12 VanDerWaalsContact OG-N 3.13Å | ||
| 11 | K | 56 | Low | 68.4 | Low | 202 Ų | 202 | 76.1 Ų | 76.1 | 88% | 0.878 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -62.1 | -17.8 | 173.7 | -75.1 | -178 | 178 | 176.3 | 0 | 112 | R9 | R9-K11 PolarHBondContact O-N 3.46Š|
| 12 | E | 70.7 | Confident | 70.1 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 40% | 0.397 | 34% | 0.341 | S | S | . | . | trans | -91.9 | 139.5 | -179.5 | -59.3 | -173.2 | 165.5 | 0 | 0 | 111.8 | S10 Y219 | S10-E12 PolarHBondContact O-N 3.1Å; S10-E12 PolarHBondContact OG-N 3.49Å; S10-E12 VanDerWaalsContact OG-N 3.13Å; E12-Y219 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 13 | R | 88.4 | Confident | 71.7 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | trans | -86.8 | -27.2 | 177.7 | -60.2 | -170.8 | -69.6 | 169.3 | -9.9 | 111.8 | E58 P59 D61 H62 E64 I66 K107 N110 | R13-E58 VanDerWaalsContact CA-OE1 3.32Å; R13-E58 WeakPolarHBondContact CA-OE1 3.47Å; R13-E58 WeakPolarHBondContact CB-OE1 3.4Å; R13-E58 PolarHBondContact N-OE1 2.99Å; R13-P59 PolarHBondContact NH2-O 2.85Å; R13-D61 PolarHBondContact NH2-O 3.18Å; R13-H62 PolarHBondContact NH1-O 2.79Å; R13-E64 PolarHBondContact NH1-O 2.73Å; R13-E64 PolarHBondContact NH2-O 2.88Å; R13-I66 HydrophobicContact CB-CD1 3.86Å; R13-K107 HydrophobicContact CB-CD 4.37Å; R13-K107 PolarHBondContact NH1-O 3.31Å; R13-K107 WeakPolarHBondContact O-CD 3.17Å; R13-K107 PolarHBondContact O-NZ 3.16Å; R13-N110 WeakPolarHBondContact CD-OD1 3.48Å; R13-N110 WeakPolarHBondContact CG-OD1 3.48Å | ||
| 14 | F | 90.7 | Very high | 73 | Confident | 3 Ų | 3 | 74.9 Ų | 74.9 | 1% | 0.013 | 34% | 0.342 | C | S | . | . | trans | -62.2 | 146 | 174.3 | 175.1 | -97.6 | 0 | 0 | 0 | 111.5 | L16 L18 L19 Y25 K49 I56 E58 Y219 | F14-L16 HydrophobicContact CE1-CD2 4.21Å; F14-L16 HydrophobicContact CZ-CD2 4.37Å; F14-L18 HydrophobicContact CD2-CD1 4.04Å; F14-L19 HydrophobicContact CZ-CD2 4.44Å; F14-Y25 HydrophobicContact CE1-CD1 4.03Å; F14-Y25 HydrophobicContact CE1-CE1 4.17Å; F14-Y25 HydrophobicContact CZ-CD1 4.25Å; F14-Y25 HydrophobicContact CZ-CG 4.38Å; F14-K49 HydrophobicContact CB-CD 4.17Å; F14-K49 HydrophobicContact CD1-CD 3.68Å; F14-K49 HydrophobicContact CD2-CD 3.38Å; F14-K49 HydrophobicContact CE1-CD 3.8Å; F14-K49 HydrophobicContact CE2-CD 3.54Å; F14-K49 HydrophobicContact CG-CD 3.45Å; F14-K49 VanDerWaalsContact CG-CD 3.45Å; F14-K49 HydrophobicContact CZ-CD 3.74Å; F14-I56 HydrophobicContact CD2-CG2 4.02Å; F14-I56 HydrophobicContact CE2-CD1 3.83Å; F14-I56 HydrophobicContact CE2-CG2 4.22Å; F14-E58 WeakPolarHBondContact CB-OE2 3.5Å; F14-E58 PolarHBondContact N-OE1 3.39Å; F14-Y219 HydrophobicContact CD1-CD2 4.26Å; F14-Y219 AromaticContact CD1-CE2 3.93Å; F14-Y219 HydrophobicContact CD1-CE2 3.93Å; F14-Y219 HydrophobicContact CE1-CE2 4.47Å; F14-Y219 PolarHBondContact O-OH 2.65Å; F14-Y219 VanDerWaalsContact O-OH 3.08Å | ||
| 15 | S | 91.5 | Very high | 74.6 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | trans | -146.4 | 152 | 171.4 | 174.1 | 0 | 0 | 0 | 0 | 108.6 | L17 L18 | S15-L17 PolarHBondContact O-N 2.67Å; S15-L17 VanDerWaalsContact O-N 3.14Å; S15-L17 PolarHBondContact OG-N 2.9Å; S15-L18 WeakPolarHBondContact O-CB 3.5Å; S15-L18 WeakPolarHBondContact O-CG 3.47Å; S15-L18 PolarHBondContact O-N 2.97Å | ||
| 16 | L | 93.1 | Very high | 76.3 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -60 | -20.9 | 173.3 | -63 | 176.5 | 0 | 0 | 0 | 112.2 | F14 L18 L19 Y25 V198 N200 Y219 | F14-L16 HydrophobicContact CE1-CD2 4.21Å; F14-L16 HydrophobicContact CZ-CD2 4.37Å; L16-L18 PolarHBondContact O-N 3.14Å; L16-L18 VanDerWaalsContact O-N 3.1Å; L16-L19 HydrophobicContact CB-CD1 4.39Å; L16-L19 HydrophobicContact CD2-CD1 3.78Å; L16-L19 VanDerWaalsContact O-CB 3.22Å; L16-L19 WeakPolarHBondContact O-CB 3.32Å; L16-L19 VanDerWaalsContact O-CG 3.26Å; L16-L19 WeakPolarHBondContact O-CG 3.45Å; L16-L19 PolarHBondContact O-N 3.23Å; L16-Y25 HydrophobicContact CD2-CD1 4.06Å; L16-V198 HydrophobicContact CB-CB 4.29Å; L16-V198 HydrophobicContact CB-CG2 3.85Å; L16-N200 HydrophobicContact CD1-CB 3.74Å; L16-Y219 HydrophobicContact CD1-CD1 4.15Å; L16-Y219 HydrophobicContact CD1-CE1 4.34Å; L16-Y219 HydrophobicContact CD2-CD1 4.06Å; L16-Y219 HydrophobicContact CD2-CE1 4.42Å; L16-Y219 HydrophobicContact CG-CD1 3.83Å; L16-Y219 HydrophobicContact CG-CE1 3.81Å |
| 17 | L | 92.7 | Very high | 78.5 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -62 | -14.2 | 172.9 | -63.5 | 173.4 | 0 | 0 | 0 | 114 | S15 L19 L197 V198 E399 C403 | S15-L17 PolarHBondContact O-N 2.67Å; S15-L17 VanDerWaalsContact O-N 3.14Å; S15-L17 PolarHBondContact OG-N 2.9Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L17-L197 HydrophobicContact CD2-CB 4.41Å; L17-V198 HydrophobicContact CD2-CG1 4.09Å; L17-V198 HydrophobicContact CD2-CG2 4.4Å; L17-E399 HydrophobicContact CD1-CB 3.86Å; L17-C403 HydrophobicContact CB-CB 4.24Å; L17-C403 HydrophobicContact CD2-CB 4.33Å; L17-C403 WeakPolarHBondContact O-CB 3.44Å; L17-C403 PolarHBondContact O-SG 3.47Å |
| 18 | L | 93.4 | Very high | 80.9 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -80.2 | -11.3 | 173.9 | -58.4 | -174.4 | 0 | 0 | 0 | 112.7 | F14 S15 L16 I56 I66 K68 I106 Y115 | F14-L18 HydrophobicContact CD2-CD1 4.04Å; S15-L18 WeakPolarHBondContact O-CB 3.5Å; S15-L18 WeakPolarHBondContact O-CG 3.47Å; S15-L18 PolarHBondContact O-N 2.97Å; L16-L18 PolarHBondContact O-N 3.14Å; L16-L18 VanDerWaalsContact O-N 3.1Å; L18-I56 HydrophobicContact CB-CD1 4.29Å; L18-I66 HydrophobicContact CD1-CD1 4.07Å; L18-I66 HydrophobicContact CD1-CG2 4.41Å; L18-K68 WeakPolarHBondContact O-CD 3.46Å; L18-K68 WeakPolarHBondContact O-CE 3.15Å; L18-K68 PolarHBondContact O-NZ 3.48Å; L18-I106 HydrophobicContact CD2-CD1 4.3Å; L18-I106 HydrophobicContact CD2-CG2 3.85Å; L18-Y115 HydrophobicContact CD2-CE1 4.47Å; L18-Y115 WeakPolarHBondContact CD2-OH 3.46Å |
| 19 | L | 91.9 | Very high | 83.5 | Confident | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -79.4 | 149.2 | 176.9 | -54.2 | -178.9 | 0 | 0 | 0 | 110.3 | F14 L16 L17 E23 C51 I56 | F14-L19 HydrophobicContact CZ-CD2 4.44Å; L16-L19 HydrophobicContact CB-CD1 4.39Å; L16-L19 HydrophobicContact CD2-CD1 3.78Å; L16-L19 VanDerWaalsContact O-CB 3.22Å; L16-L19 WeakPolarHBondContact O-CB 3.32Å; L16-L19 VanDerWaalsContact O-CG 3.26Å; L16-L19 WeakPolarHBondContact O-CG 3.45Å; L16-L19 PolarHBondContact O-N 3.23Å; L17-L19 VanDerWaalsContact C-N 3.27Å; L19-E23 WeakPolarHBondContact CA-OE2 3.43Å; L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CB-CG 4.13Å; L19-E23 HydrophobicContact CD2-CG 4.17Å; L19-C51 HydrophobicContact CD2-CB 4.04Å; L19-C51 VanDerWaalsContact CD2-SG 3.52Å; L19-I56 HydrophobicContact CD2-CD1 3.85Å |
| 20 | D | 87.6 | Confident | 86 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -74.8 | 164.5 | 171.7 | -61.3 | -31 | 0 | 0 | 0 | 110.7 | E22 E23 K68 | D20-E22 PolarHBondContact O-N 2.94Å; D20-E23 HydrophobicContact CB-CB 4.29Å; D20-E23 PolarHBondContact N-OE2 2.85Å; D20-E23 WeakPolarHBondContact O-CB 3.27Å; D20-E23 PolarHBondContact O-N 3.03Å; D20-K68 IonicContact OD1-NZ 2.78Å; D20-K68 PolarHBondContact OD1-NZ 2.81Å; D20-K68 IonicContact OD2-NZ 2.66Å; D20-K68 PolarHBondContact OD2-NZ 2.94Å |
| 21 | L | 81 | Confident | 88.2 | Confident | 77 Ų | 77 | 39.9 Ų | 39.9 | 40% | 0.403 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 134.9 | 174.6 | -170.7 | 69.7 | 0 | 0 | 0 | 110.4 | E23 K53 I546 | L21-E23 PolarHBondContact O-N 3.49Å; L21-K53 PolarHBondContact O-NZ 3.26Å; L21-I546 HydrophobicContact CD2-CD1 4.48Å; L21-I546 HydrophobicContact CD2-CG1 3.92Å; L21-I546 HydrophobicContact CD2-CG2 4.43Å |
| 22 | E | 80.6 | Confident | 89.9 | Confident | 72 Ų | 72 | 33.6 Ų | 33.6 | 34% | 0.336 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29.9 | -174.4 | -64.8 | -69.5 | 158.4 | 0 | 0 | 113.6 | D20 Y24 K53 | D20-E22 PolarHBondContact O-N 2.94Å; E22-Y24 PolarHBondContact OE2-OH 3.11Å; E22-K53 VanDerWaalsContact O-CE 3.26Å; E22-K53 WeakPolarHBondContact O-CE 3.49Å; E22-K53 PolarHBondContact O-NZ 3.31Å |
| 23 | E | 89.9 | Confident | 90.9 | Very high | 10 Ų | 10 | 30.4 Ų | 30.4 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | trans | -101.8 | 136.3 | 167.9 | -179.5 | 174.6 | -159.8 | 0 | 0 | 111.1 | L19 D20 L21 C51 S52 K53 S54 K68 | L19-E23 WeakPolarHBondContact CA-OE2 3.43Å; L19-E23 HydrophobicContact CB-CB 4.06Å; L19-E23 HydrophobicContact CB-CG 4.13Å; L19-E23 HydrophobicContact CD2-CG 4.17Å; D20-E23 HydrophobicContact CB-CB 4.29Å; D20-E23 PolarHBondContact N-OE2 2.85Å; D20-E23 WeakPolarHBondContact O-CB 3.27Å; D20-E23 PolarHBondContact O-N 3.03Å; L21-E23 PolarHBondContact O-N 3.49Å; E23-C51 HydrophobicContact CG-CB 4.05Å; E23-C51 WeakPolarHBondContact OE1-CB 3.37Å; E23-S52 WeakPolarHBondContact CA-OG 3.41Å; E23-K53 HydrophobicContact CB-CB 4.33Å; E23-K53 HydrophobicContact CB-CD 4.1Å; E23-K53 HydrophobicContact CB-CG 4.17Å; E23-K53 HydrophobicContact CG-CB 3.97Å; E23-K53 HydrophobicContact CG-CG 4.21Å; E23-K53 PolarHBondContact OE1-N 2.86Å; E23-S54 WeakPolarHBondContact OE1-CA 3.41Å; E23-S54 VanDerWaalsContact OE1-CB 3.28Å; E23-S54 WeakPolarHBondContact OE1-CB 3.5Å; E23-S54 PolarHBondContact OE1-N 3.49Å; E23-S54 PolarHBondContact OE1-OG 3.01Å; E23-K68 IonicContact OE2-NZ 2.76Å | ||
| 24 | Y | 92.6 | Very high | 90.9 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | trans | -117.1 | 136 | -177.6 | -59.9 | -80.2 | 0 | 0 | 0 | 110.5 | E22 C51 S52 I160 L164 P201 | E22-Y24 PolarHBondContact OE2-OH 3.11Å; Y24-C51 CarbonylContact O-C 3.58Å; Y24-C51 WeakPolarHBondContact O-CA 3.47Å; Y24-S52 PolarHBondContact N-OG 2.95Å; Y24-S52 PolarHBondContact O-N 3.32Å; Y24-I160 HydrophobicContact CD2-CG2 3.63Å; Y24-I160 HydrophobicContact CE2-CG2 3.96Å; Y24-L164 HydrophobicContact CD1-CD2 3.91Å; Y24-L164 HydrophobicContact CD2-CD2 4.23Å; Y24-L164 HydrophobicContact CE1-CD2 3.73Å; Y24-L164 HydrophobicContact CE2-CD2 4.11Å; Y24-L164 HydrophobicContact CG-CD2 4.15Å; Y24-P201 HydrophobicContact CD1-CG 3.47Å; Y24-P201 VanDerWaalsContact CD1-CG 3.47Å; Y24-P201 HydrophobicContact CE1-CG 3.74Å | ||
| 25 | Y | 94.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.5 | 172.7 | 168.1 | -139.2 | 0 | 0 | 0 | 109.7 | F14 L16 E27 Q28 K49 N217 Y219 | F14-Y25 HydrophobicContact CE1-CD1 4.03Å; F14-Y25 HydrophobicContact CE1-CE1 4.17Å; F14-Y25 HydrophobicContact CZ-CD1 4.25Å; F14-Y25 HydrophobicContact CZ-CG 4.38Å; L16-Y25 HydrophobicContact CD2-CD1 4.06Å; Y25-E27 VanDerWaalsContact CE2-O 3.29Å; Y25-E27 WeakPolarHBondContact CE2-O 3.37Å; Y25-Q28 HydrophobicContact CE2-CB 4.37Å; Y25-Q28 WeakPolarHBondContact OH-CB 3.41Å; Y25-Q28 VanDerWaalsContact OH-CD 3.28Å; Y25-Q28 WeakPolarHBondContact OH-CG 3.44Å; Y25-Q28 PolarHBondContact OH-OE1 3.31Å; Y25-K49 HydrophobicContact CD2-CB 4.09Å; Y25-K49 HydrophobicContact CE2-CB 3.64Å; Y25-K49 HydrophobicContact CE2-CD 4.26Å; Y25-K49 HydrophobicContact CE2-CG 3.76Å; Y25-N217 HydrophobicContact CD1-CB 3.66Å; Y25-N217 WeakPolarHBondContact CD1-ND2 3.38Å; Y25-N217 HydrophobicContact CE1-CB 3.67Å; Y25-N217 HydrophobicContact CG-CB 4.15Å; Y25-N217 WeakPolarHBondContact O-CB 3.41Å; Y25-N217 PolarHBondContact O-ND2 2.83Å; Y25-Y219 HydrophobicContact CE1-CG 4.38Å |
| 26 | F | 92.1 | Very high | 89.2 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -50.4 | -172.8 | -66.3 | -51.4 | 0 | 0 | 0 | 113.6 | V50 L144 L164 | F26-V50 PolarHBondContact N-O 2.73Å; F26-L144 HydrophobicContact CD2-CD1 4.17Å; F26-L144 HydrophobicContact CE2-CD1 4.32Å; F26-L144 HydrophobicContact CE2-CD2 3.9Å; F26-L164 HydrophobicContact CE1-CB 4.34Å; F26-L164 HydrophobicContact CE1-CD1 4.07Å |
| 27 | E | 91.4 | Very high | 87.1 | Confident | 49 Ų | 49 | 40.2 Ų | 40.2 | 23% | 0.229 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 158.5 | -171.4 | 59.9 | -174.4 | -126.3 | 0 | 0 | 111.8 | Y25 H29 V50 R167 | Y25-E27 VanDerWaalsContact CE2-O 3.29Å; Y25-E27 WeakPolarHBondContact CE2-O 3.37Å; E27-H29 IonicContact OE1-CD2 3.09Å; E27-H29 IonicContact OE1-CE1 3.82Å; E27-H29 IonicContact OE1-NE2 2.66Å; E27-H29 PolarHBondContact OE1-NE2 2.86Å; E27-V50 HydrophobicContact CG-CB 3.91Å; E27-V50 HydrophobicContact CG-CG2 4.28Å; E27-V50 PolarHBondContact O-N 3.46Å; E27-R167 IonicContact OE2-CZ 2.77Å; E27-R167 IonicContact OE2-NH1 3.89Å; E27-R167 PolarHBondContact OE2-NH1 2.94Å; E27-R167 IonicContact OE2-NH2 3.29Å |
| 28 | Q | 92.9 | Very high | 84.7 | Confident | 92 Ų | 92 | 44.9 Ų | 44.9 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 153.2 | 174.4 | 56.2 | 178 | 7.3 | 0 | 0 | 112.9 | Y25 S47 L48 K49 | Y25-Q28 HydrophobicContact CE2-CB 4.37Å; Y25-Q28 WeakPolarHBondContact OH-CB 3.41Å; Y25-Q28 VanDerWaalsContact OH-CD 3.28Å; Y25-Q28 WeakPolarHBondContact OH-CG 3.44Å; Y25-Q28 PolarHBondContact OH-OE1 3.31Å; Q28-S47 PolarHBondContact OE1-OG 2.76Å; Q28-L48 CarbonylContact C-O 3.46Å; Q28-L48 VanDerWaalsContact CA-O 3.29Å; Q28-L48 WeakPolarHBondContact CA-O 3.31Å; Q28-K49 HydrophobicContact CB-CG 4.17Å |
| 29 | H | 93.3 | Very high | 82.7 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 12% | 0.12 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 137.6 | 175.7 | -59 | -83.4 | 0 | 0 | 0 | 109.8 | E27 V31 L48 V137 | E27-H29 IonicContact OE1-CD2 3.09Å; E27-H29 IonicContact OE1-CE1 3.82Å; E27-H29 IonicContact OE1-NE2 2.66Å; E27-H29 PolarHBondContact OE1-NE2 2.86Å; H29-V31 HydrophobicContact CB-CG1 4.34Å; H29-V31 PolarHBondContact O-N 2.8Å; H29-L48 PolarHBondContact N-O 3.01Å; H29-L48 PolarHBondContact O-N 3.32Å; H29-V137 VanDerWaalsContact NE2-CG2 3.35Å; H29-V137 WeakPolarHBondContact NE2-CG2 3.07Å |
| 30 | T | 93.5 | Very high | 81 | Confident | 54 Ų | 54 | 58 Ų | 58 | 33% | 0.331 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 126.8 | 171.3 | -50.2 | 0 | 0 | 0 | 0 | 109.7 | R45 E129 | T30-R45 HydrophobicContact CG2-CG 4.28Å; T30-E129 WeakPolarHBondContact CB-OE2 3.48Å; T30-E129 HydrophobicContact CG2-CB 4.43Å; T30-E129 WeakPolarHBondContact CG2-OE2 3.44Å; T30-E129 WeakPolarHBondContact O-CB 3.29Å; T30-E129 PolarHBondContact O-N 2.85Å |
| 31 | V | 93.8 | Very high | 80.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 161.7 | -177 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | H29 R45 G46 L48 F57 F126 H127 L128 | H29-V31 HydrophobicContact CB-CG1 4.34Å; H29-V31 PolarHBondContact O-N 2.8Å; V31-R45 WeakPolarHBondContact O-CA 3.45Å; V31-G46 PolarHBondContact N-O 2.66Å; V31-G46 PolarHBondContact O-N 2.97Å; V31-L48 HydrophobicContact CB-CB 4.36Å; V31-L48 HydrophobicContact CG1-CB 3.66Å; V31-L48 HydrophobicContact CG1-CD2 4.07Å; V31-L48 HydrophobicContact CG1-CG 4.49Å; V31-L48 HydrophobicContact CG2-CB 3.71Å; V31-F57 HydrophobicContact CG2-CD2 3.68Å; V31-F57 HydrophobicContact CG2-CE2 3.42Å; V31-F57 VanDerWaalsContact CG2-CE2 3.42Å; V31-F126 HydrophobicContact CB-CB 4.26Å; V31-F126 HydrophobicContact CG2-CB 4.22Å; V31-F126 HydrophobicContact CG2-CD1 3.67Å; V31-F126 HydrophobicContact CG2-CE1 4.47Å; V31-F126 HydrophobicContact CG2-CG 4.29Å; V31-H127 CarbonylContact C-O 3.52Å; V31-H127 WeakPolarHBondContact CA-O 3.48Å; V31-H127 WeakPolarHBondContact CB-O 3.37Å; V31-L128 HydrophobicContact CG1-CD1 4.13Å; V31-L128 HydrophobicContact CG1-CG 3.95Å |
| 32 | Y | 92.4 | Very high | 80.3 | Confident | 70 Ų | 70 | 63.8 Ų | 63.8 | 28% | 0.275 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 110.5 | 169.3 | -61.9 | -90.5 | 0 | 0 | 0 | 109.8 | V34 K43 I44 R45 F126 H127 E129 | Y32-V34 PolarHBondContact O-N 3.41Å; Y32-K43 HydrophobicContact CD1-CB 4.38Å; Y32-I44 CarbonylContact C-O 3.3Å; Y32-I44 WeakPolarHBondContact CA-O 3.45Å; Y32-R45 HydrophobicContact CD1-CB 3.9Å; Y32-R45 HydrophobicContact CD1-CG 4.21Å; Y32-R45 HydrophobicContact CE1-CB 3.73Å; Y32-R45 HydrophobicContact CE1-CG 3.76Å; Y32-R45 PolarHBondContact OH-NE 3.09Å; Y32-F126 CarbonylContact O-C 3.52Å; Y32-F126 WeakPolarHBondContact O-CA 3.38Å; Y32-H127 PolarHBondContact N-O 3.03Å; Y32-H127 PolarHBondContact O-N 3.23Å; Y32-E129 HydrophobicContact CE2-CB 4.33Å; Y32-E129 PolarHBondContact OH-OE1 3.44Å |
| 33 | H | 92.3 | Very high | 80.7 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 8% | 0.083 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 120.7 | 170.7 | -178.9 | -145.9 | 0 | 0 | 0 | 109.8 | T35 K43 I44 F57 F124 F126 | H33-T35 VanDerWaalsContact CE1-CG2 3.46Å; H33-T35 WeakPolarHBondContact CE1-CG2 3.41Å; H33-K43 WeakPolarHBondContact O-CA 3.31Å; H33-I44 HydrophobicContact CB-CB 4.44Å; H33-I44 PolarHBondContact N-O 3.25Å; H33-I44 PolarHBondContact O-N 2.83Å; H33-F57 HydrophobicContact CB-CD1 4.3Å; H33-F57 HydrophobicContact CB-CE1 3.56Å; H33-F57 HydrophobicContact CB-CE2 4.31Å; H33-F57 HydrophobicContact CB-CZ 3.57Å; H33-F124 AromaticContact CE1-CD1 3.93Å; H33-F124 AromaticContact NE2-CD1 3.55Å; H33-F126 HydrophobicContact CB-CD1 3.82Å; H33-F126 HydrophobicContact CB-CE1 3.69Å; H33-F126 AromaticContact CD2-CE1 3.74Å; H33-F126 AromaticContact CG-CE1 3.75Å |
| 34 | V | 87.8 | Confident | 80.8 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 109.4 | -176.1 | -176.2 | 0 | 0 | 0 | 0 | 110 | Y32 R42 K43 L125 H127 | Y32-V34 PolarHBondContact O-N 3.41Å; V34-R42 WeakPolarHBondContact CA-O 3.44Å; V34-K43 HydrophobicContact CG2-CG 4.14Å; V34-L125 HydrophobicContact CB-CD2 4.18Å; V34-L125 HydrophobicContact CB-CG 4.33Å; V34-L125 HydrophobicContact CG1-CD2 4.48Å; V34-L125 PolarHBondContact N-O 2.78Å; V34-H127 VanDerWaalsContact CG2-CE1 3.43Å; V34-H127 WeakPolarHBondContact CG2-CE1 3.45Å; V34-H127 WeakPolarHBondContact CG2-ND1 3.49Å |
| 35 | T | 81.3 | Confident | 80.8 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 142.7 | 176.1 | 55.8 | 0 | 0 | 0 | 0 | 110.6 | H33 R42 I44 | H33-T35 VanDerWaalsContact CE1-CG2 3.46Å; H33-T35 WeakPolarHBondContact CE1-CG2 3.41Å; T35-R42 PolarHBondContact N-O 3.34Å; T35-R42 PolarHBondContact O-N 2.96Å; T35-I44 HydrophobicContact CG2-CD1 4.4Å |
| 36 | T | 64.7 | Low | 80.8 | Confident | 130 Ų | 130 | 69.3 Ų | 69.3 | 80% | 0.798 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 88.7 | 176 | 10 | 0 | 0 | 0 | 0 | 109 | ||
| 37 | S | 49.8 | Very low | 80.9 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.4 | 168.8 | 72 | 0 | 0 | 0 | 0 | 110.1 | ||
| 38 | S | 42.8 | Very low | 81.1 | Confident | 108 Ų | 108 | 67.5 Ų | 67.5 | 76% | 0.755 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 72.3 | 169 | 56.8 | 0 | 0 | 0 | 0 | 116 | K40 | S38-K40 PolarHBondContact O-N 2.87Š|
| 39 | A | 50 | Low | 81.3 | Confident | 119 Ų | 119 | 63.2 Ų | 63.2 | 98% | 0.983 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -1.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 40 | K | 58 | Low | 81.4 | Confident | 173 Ų | 173 | 62 Ų | 62 | 75% | 0.752 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.3 | 172.8 | -71.7 | -177.4 | 178.5 | 178.8 | 0 | 109.9 | S38 R42 | S38-K40 PolarHBondContact O-N 2.87Å; K40-R42 PolarHBondContact O-N 3.05Å |
| 41 | K | 70.2 | Confident | 81.5 | Confident | 157 Ų | 157 | 59.4 Ų | 59.4 | 68% | 0.683 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 119.4 | 170 | -71.2 | -177.2 | 177.4 | -177.8 | 0 | 108.2 | ||
| 42 | R | 83 | Confident | 81.5 | Confident | 108 Ų | 108 | 59.4 Ų | 59.4 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.9 | 171.9 | -174.6 | 177 | 178.4 | -155.6 | -6.6 | 108 | V34 T35 K40 I44 D61 E64 | V34-R42 WeakPolarHBondContact CA-O 3.44Å; T35-R42 PolarHBondContact N-O 3.34Å; T35-R42 PolarHBondContact O-N 2.96Å; K40-R42 PolarHBondContact O-N 3.05Å; R42-I44 HydrophobicContact CG-CG1 4.26Å; R42-D61 IonicContact NH2-OD2 3.94Å; R42-E64 IonicContact CZ-OE1 2.65Å; R42-E64 VanDerWaalsContact CZ-OE1 3.24Å; R42-E64 IonicContact NH1-OE1 2.8Å; R42-E64 PolarHBondContact NH1-OE1 3.09Å; R42-E64 IonicContact NH2-OE1 2.67Å; R42-E64 PolarHBondContact NH2-OE1 2.96Å |
| 43 | K | 87.7 | Confident | 81.5 | Confident | 123 Ų | 123 | 58 Ų | 58 | 54% | 0.535 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120.6 | 174.1 | -63 | -164.8 | 175.2 | -174.3 | 0 | 108.1 | Y32 H33 V34 | Y32-K43 HydrophobicContact CD1-CB 4.38Å; H33-K43 WeakPolarHBondContact O-CA 3.31Å; V34-K43 HydrophobicContact CG2-CG 4.14Å |
| 44 | I | 92.2 | Very high | 81.7 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.3 | 179.3 | -58.2 | 169.9 | 0 | 0 | 0 | 107.4 | Y32 H33 T35 R42 P59 E64 | Y32-I44 CarbonylContact C-O 3.3Å; Y32-I44 WeakPolarHBondContact CA-O 3.45Å; H33-I44 HydrophobicContact CB-CB 4.44Å; H33-I44 PolarHBondContact N-O 3.25Å; H33-I44 PolarHBondContact O-N 2.83Å; T35-I44 HydrophobicContact CG2-CD1 4.4Å; R42-I44 HydrophobicContact CG-CG1 4.26Å; I44-P59 HydrophobicContact CG2-CB 3.95Å; I44-E64 HydrophobicContact CD1-CG 4.22Å |
| 45 | R | 94.4 | Very high | 82.1 | Confident | 84 Ų | 84 | 56.3 Ų | 56.3 | 32% | 0.317 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 142.9 | 176.6 | -167.9 | 171.5 | -176.9 | -98.1 | -1.3 | 110 | T30 V31 Y32 E60 E129 | T30-R45 HydrophobicContact CG2-CG 4.28Å; V31-R45 WeakPolarHBondContact O-CA 3.45Å; Y32-R45 HydrophobicContact CD1-CB 3.9Å; Y32-R45 HydrophobicContact CD1-CG 4.21Å; Y32-R45 HydrophobicContact CE1-CB 3.73Å; Y32-R45 HydrophobicContact CE1-CG 3.76Å; Y32-R45 PolarHBondContact OH-NE 3.09Å; R45-E60 WeakPolarHBondContact CD-OE2 3.44Å; R45-E60 WeakPolarHBondContact CG-OE2 3.43Å; R45-E60 IonicContact CZ-OE1 2.86Å; R45-E60 IonicContact NH1-OE1 2.8Å; R45-E60 PolarHBondContact NH1-OE1 3.06Å; R45-E60 IonicContact NH1-OE2 3.23Å; R45-E60 PolarHBondContact NH1-OE2 2.77Å; R45-E60 VanDerWaalsContact NH1-OE2 3.09Å; R45-E60 PolarHBondContact O-N 2.97Å; R45-E129 IonicContact NE-OE1 3.31Å; R45-E129 IonicContact NH2-OE1 3.07Å; R45-E129 IonicContact NH2-OE2 2.68Å; R45-E129 PolarHBondContact NH2-OE2 2.9Å |
| 46 | G | 94 | Very high | 82.9 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | 179.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | V31 E58 | V31-G46 PolarHBondContact N-O 2.66Å; V31-G46 PolarHBondContact O-N 2.97Å; G46-E58 CarbonylContact C-O 3.6Å; G46-E58 WeakPolarHBondContact CA-O 3.23Å |
| 47 | S | 94.1 | Very high | 84.4 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.5 | 175.9 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | Q28 K49 F57 E58 | Q28-S47 PolarHBondContact OE1-OG 2.76Å; S47-K49 PolarHBondContact OG-NZ 3.28Å; S47-K49 VanDerWaalsContact OG-NZ 3.11Å; S47-F57 WeakPolarHBondContact O-CA 3.44Å; S47-E58 PolarHBondContact N-O 3.09Å; S47-E58 PolarHBondContact O-N 3.1Å |
| 48 | L | 95.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 112.5 | 171.7 | -170 | 75.1 | 0 | 0 | 0 | 109.1 | Q28 H29 V31 I55 F57 L96 F126 | Q28-L48 CarbonylContact C-O 3.46Å; Q28-L48 VanDerWaalsContact CA-O 3.29Å; Q28-L48 WeakPolarHBondContact CA-O 3.31Å; H29-L48 PolarHBondContact N-O 3.01Å; H29-L48 PolarHBondContact O-N 3.32Å; V31-L48 HydrophobicContact CB-CB 4.36Å; V31-L48 HydrophobicContact CG1-CB 3.66Å; V31-L48 HydrophobicContact CG1-CD2 4.07Å; V31-L48 HydrophobicContact CG1-CG 4.49Å; V31-L48 HydrophobicContact CG2-CB 3.71Å; L48-I55 HydrophobicContact CD1-CG2 3.56Å; L48-I55 HydrophobicContact CG-CG2 4.06Å; L48-F57 HydrophobicContact CD1-CB 3.96Å; L48-F57 HydrophobicContact CD1-CD2 4.29Å; L48-L96 HydrophobicContact CD2-CD2 3.68Å; L48-F126 HydrophobicContact CD1-CD1 4.39Å; L48-F126 HydrophobicContact CD1-CD2 4.41Å; L48-F126 HydrophobicContact CD1-CE1 4.25Å; L48-F126 HydrophobicContact CD1-CE2 4.26Å; L48-F126 HydrophobicContact CD1-CG 4.47Å; L48-F126 HydrophobicContact CD1-CZ 4.18Å |
| 49 | K | 95.8 | Very high | 89 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.7 | -179.1 | -64.5 | 175.2 | 165.8 | 71.7 | 0 | 109.5 | F14 Y25 Q28 S47 I56 E58 | F14-K49 HydrophobicContact CB-CD 4.17Å; F14-K49 HydrophobicContact CD1-CD 3.68Å; F14-K49 HydrophobicContact CD2-CD 3.38Å; F14-K49 HydrophobicContact CE1-CD 3.8Å; F14-K49 HydrophobicContact CE2-CD 3.54Å; F14-K49 HydrophobicContact CG-CD 3.45Å; F14-K49 VanDerWaalsContact CG-CD 3.45Å; F14-K49 HydrophobicContact CZ-CD 3.74Å; Y25-K49 HydrophobicContact CD2-CB 4.09Å; Y25-K49 HydrophobicContact CE2-CB 3.64Å; Y25-K49 HydrophobicContact CE2-CD 4.26Å; Y25-K49 HydrophobicContact CE2-CG 3.76Å; Q28-K49 HydrophobicContact CB-CG 4.17Å; S47-K49 PolarHBondContact OG-NZ 3.28Å; S47-K49 VanDerWaalsContact OG-NZ 3.11Å; K49-I56 HydrophobicContact CB-CB 4.21Å; K49-I56 WeakPolarHBondContact CB-O 3.44Å; K49-I56 PolarHBondContact N-O 3.29Å; K49-I56 PolarHBondContact O-N 3.14Å; K49-E58 IonicContact NZ-OE2 3.7Å; K49-E58 PolarHBondContact NZ-OE2 3.18Å |
| 50 | V | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.2 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | F26 E27 V137 T140 L141 L144 | F26-V50 PolarHBondContact N-O 2.73Å; E27-V50 HydrophobicContact CG-CB 3.91Å; E27-V50 HydrophobicContact CG-CG2 4.28Å; E27-V50 PolarHBondContact O-N 3.46Å; V50-V137 HydrophobicContact CG2-CG1 4.44Å; V50-T140 HydrophobicContact CG1-CG2 4.26Å; V50-L141 HydrophobicContact CG1-CD2 3.79Å; V50-L141 HydrophobicContact CG2-CD2 4.21Å; V50-L144 HydrophobicContact CG1-CD1 3.76Å |
| 51 | C | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 164.4 | -179.5 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | L19 E23 Y24 K53 S54 L144 | L19-C51 HydrophobicContact CD2-CB 4.04Å; L19-C51 VanDerWaalsContact CD2-SG 3.52Å; E23-C51 HydrophobicContact CG-CB 4.05Å; E23-C51 WeakPolarHBondContact OE1-CB 3.37Å; Y24-C51 CarbonylContact O-C 3.58Å; Y24-C51 WeakPolarHBondContact O-CA 3.47Å; C51-K53 VanDerWaalsContact C-N 3.29Å; C51-K53 PolarHBondContact O-N 2.92Å; C51-S54 CarbonylContact C-O 3.51Å; C51-S54 WeakPolarHBondContact CA-O 3.41Å; C51-S54 VanDerWaalsContact CB-O 3.25Å; C51-S54 WeakPolarHBondContact CB-O 3.26Å; C51-S54 PolarHBondContact N-O 3.45Å; C51-S54 VanDerWaalsContact N-O 3.1Å; C51-L144 WeakPolarHBondContact O-CD1 3.34Å |
| 52 | S | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -68.7 | -24.1 | -173.6 | 65.5 | 0 | 0 | 0 | 0 | 114.4 | E23 Y24 | E23-S52 WeakPolarHBondContact CA-OG 3.41Å; Y24-S52 PolarHBondContact N-OG 2.95Å; Y24-S52 PolarHBondContact O-N 3.32Å |
| 53 | K | 93.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 31.5 Ų | 31.5 | 17% | 0.174 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -121.2 | -18.2 | -179.6 | -59.5 | -175.4 | -175.6 | 171.6 | 0 | 113.7 | L21 E22 E23 C51 L71 I160 | L21-K53 PolarHBondContact O-NZ 3.26Å; E22-K53 VanDerWaalsContact O-CE 3.26Å; E22-K53 WeakPolarHBondContact O-CE 3.49Å; E22-K53 PolarHBondContact O-NZ 3.31Å; E23-K53 HydrophobicContact CB-CB 4.33Å; E23-K53 HydrophobicContact CB-CD 4.1Å; E23-K53 HydrophobicContact CB-CG 4.17Å; E23-K53 HydrophobicContact CG-CB 3.97Å; E23-K53 HydrophobicContact CG-CG 4.21Å; E23-K53 PolarHBondContact OE1-N 2.86Å; C51-K53 VanDerWaalsContact C-N 3.29Å; C51-K53 PolarHBondContact O-N 2.92Å; K53-L71 VanDerWaalsContact O-CB 3.3Å; K53-L71 WeakPolarHBondContact O-CB 3.37Å; K53-L71 PolarHBondContact O-N 2.75Å; K53-I160 HydrophobicContact CD-CD1 4.45Å; K53-I160 HydrophobicContact CG-CD1 3.9Å |
| 54 | S | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 165.8 | -177 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | E23 C51 I69 | E23-S54 WeakPolarHBondContact OE1-CA 3.41Å; E23-S54 VanDerWaalsContact OE1-CB 3.28Å; E23-S54 WeakPolarHBondContact OE1-CB 3.5Å; E23-S54 PolarHBondContact OE1-N 3.49Å; E23-S54 PolarHBondContact OE1-OG 3.01Å; C51-S54 CarbonylContact C-O 3.51Å; C51-S54 WeakPolarHBondContact CA-O 3.41Å; C51-S54 VanDerWaalsContact CB-O 3.25Å; C51-S54 WeakPolarHBondContact CB-O 3.26Å; C51-S54 PolarHBondContact N-O 3.45Å; C51-S54 VanDerWaalsContact N-O 3.1Å; S54-I69 CarbonylContact C-O 3.47Å; S54-I69 VanDerWaalsContact CA-O 3.3Å; S54-I69 WeakPolarHBondContact CA-O 2.84Å; S54-I69 WeakPolarHBondContact CB-O 3.44Å |
| 55 | I | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.5 | 170.5 | -53 | 172.5 | 0 | 0 | 0 | 106.5 | L48 I69 L71 I98 L141 | L48-I55 HydrophobicContact CD1-CG2 3.56Å; L48-I55 HydrophobicContact CG-CG2 4.06Å; I55-I69 HydrophobicContact CB-CB 4.37Å; I55-I69 PolarHBondContact N-O 2.89Å; I55-I69 PolarHBondContact O-N 3.07Å; I55-L71 HydrophobicContact CD1-CD2 3.68Å; I55-L71 HydrophobicContact CG1-CD2 3.64Å; I55-L71 HydrophobicContact CG1-CG 4.31Å; I55-I98 HydrophobicContact CD1-CD1 3.53Å; I55-I98 HydrophobicContact CD1-CG1 4.3Å; I55-I98 HydrophobicContact CG2-CD1 4.41Å; I55-L141 HydrophobicContact CD1-CD1 3.96Å; I55-L141 HydrophobicContact CD1-CD2 3.65Å; I55-L141 HydrophobicContact CD1-CG 4.37Å; I55-L141 HydrophobicContact CG1-CD2 3.67Å |
| 56 | I | 97.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.6 | -177.8 | -61.9 | 173.7 | 0 | 0 | 0 | 109.4 | F14 L18 L19 K49 I66 L67 K68 | F14-I56 HydrophobicContact CD2-CG2 4.02Å; F14-I56 HydrophobicContact CE2-CD1 3.83Å; F14-I56 HydrophobicContact CE2-CG2 4.22Å; L18-I56 HydrophobicContact CB-CD1 4.29Å; L19-I56 HydrophobicContact CD2-CD1 3.85Å; K49-I56 HydrophobicContact CB-CB 4.21Å; K49-I56 WeakPolarHBondContact CB-O 3.44Å; K49-I56 PolarHBondContact N-O 3.29Å; K49-I56 PolarHBondContact O-N 3.14Å; I56-I66 HydrophobicContact CG2-CG2 3.56Å; I56-L67 CarbonylContact C-O 3.46Å; I56-L67 VanDerWaalsContact CA-O 3.29Å; I56-L67 WeakPolarHBondContact CA-O 3.25Å; I56-K68 HydrophobicContact CD1-CD 4.41Å; I56-K68 HydrophobicContact CD1-CG 4.37Å; I56-K68 HydrophobicContact CG1-CB 4.08Å; I56-K68 HydrophobicContact CG1-CG 3.98Å |
| 57 | F | 96.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.8 | 172.2 | 176.9 | -111.6 | 0 | 0 | 0 | 110 | V31 H33 S47 L48 P59 I66 L67 F126 | V31-F57 HydrophobicContact CG2-CD2 3.68Å; V31-F57 HydrophobicContact CG2-CE2 3.42Å; V31-F57 VanDerWaalsContact CG2-CE2 3.42Å; H33-F57 HydrophobicContact CB-CD1 4.3Å; H33-F57 HydrophobicContact CB-CE1 3.56Å; H33-F57 HydrophobicContact CB-CE2 4.31Å; H33-F57 HydrophobicContact CB-CZ 3.57Å; S47-F57 WeakPolarHBondContact O-CA 3.44Å; L48-F57 HydrophobicContact CD1-CB 3.96Å; L48-F57 HydrophobicContact CD1-CD2 4.29Å; F57-P59 HydrophobicContact CD1-CG 4.07Å; F57-P59 HydrophobicContact CE1-CB 4.22Å; F57-P59 HydrophobicContact CE1-CG 3.73Å; F57-P59 WeakPolarHBondContact O-CD 3.37Å; F57-I66 WeakPolarHBondContact O-CA 3.41Å; F57-I66 WeakPolarHBondContact O-CG2 3.45Å; F57-L67 HydrophobicContact CB-CB 4.23Å; F57-L67 HydrophobicContact CB-CD1 4.47Å; F57-L67 HydrophobicContact CD1-CD1 3.87Å; F57-L67 HydrophobicContact CD1-CG 4.15Å; F57-L67 PolarHBondContact N-O 3.22Å; F57-L67 PolarHBondContact O-N 2.78Å; F57-F126 HydrophobicContact CB-CE1 3.95Å; F57-F126 HydrophobicContact CB-CZ 4.09Å; F57-F126 AromaticContact CD1-CE1 3.94Å; F57-F126 HydrophobicContact CD1-CE1 3.94Å; F57-F126 HydrophobicContact CD2-CD1 4.19Å; F57-F126 AromaticContact CD2-CE1 3.72Å; F57-F126 HydrophobicContact CD2-CE1 3.72Å; F57-F126 HydrophobicContact CE1-CE1 4.37Å; F57-F126 HydrophobicContact CE2-CD1 4.4Å; F57-F126 HydrophobicContact CE2-CE1 4.19Å; F57-F126 HydrophobicContact CG-CD1 4.48Å; F57-F126 AromaticContact CG-CE1 3.58Å; F57-F126 HydrophobicContact CG-CE1 3.58Å; F57-F126 HydrophobicContact CG-CZ 4.21Å; F57-F126 HydrophobicContact CZ-CE1 4.49Å |
| 58 | E | 95.3 | Very high | 94.3 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 106.3 | 175.5 | 179.6 | -177.4 | -160.6 | 0 | 0 | 109.8 | R13 F14 G46 S47 K49 I66 | R13-E58 VanDerWaalsContact CA-OE1 3.32Å; R13-E58 WeakPolarHBondContact CA-OE1 3.47Å; R13-E58 WeakPolarHBondContact CB-OE1 3.4Å; R13-E58 PolarHBondContact N-OE1 2.99Å; F14-E58 WeakPolarHBondContact CB-OE2 3.5Å; F14-E58 PolarHBondContact N-OE1 3.39Å; G46-E58 CarbonylContact C-O 3.6Å; G46-E58 WeakPolarHBondContact CA-O 3.23Å; S47-E58 PolarHBondContact N-O 3.09Å; S47-E58 PolarHBondContact O-N 3.1Å; K49-E58 IonicContact NZ-OE2 3.7Å; K49-E58 PolarHBondContact NZ-OE2 3.18Å; E58-I66 HydrophobicContact CG-CD1 4.45Å; E58-I66 HydrophobicContact CG-CG1 4.3Å |
| 59 | P | 94.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 23.9 Ų | 23.9 | 3% | 0.032 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 146.5 | 173.4 | -16.5 | 27.6 | 0 | 0 | 0 | 112 | R13 I44 F57 D61 E64 P65 | R13-P59 PolarHBondContact NH2-O 2.85Å; I44-P59 HydrophobicContact CG2-CB 3.95Å; F57-P59 HydrophobicContact CD1-CG 4.07Å; F57-P59 HydrophobicContact CE1-CB 4.22Å; F57-P59 HydrophobicContact CE1-CG 3.73Å; F57-P59 WeakPolarHBondContact O-CD 3.37Å; P59-D61 VanDerWaalsContact C-N 3.27Å; P59-E64 HydrophobicContact CB-CB 3.9Å; P59-E64 HydrophobicContact CG-CB 3.8Å; P59-P65 WeakPolarHBondContact CD-O 3.09Å; P59-P65 VanDerWaalsContact CG-O 3.31Å; P59-P65 WeakPolarHBondContact CG-O 3.41Å |
| 60 | E | 91.9 | Very high | 94.4 | Very high | 111 Ų | 111 | 24.5 Ų | 24.5 | 52% | 0.519 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -70.2 | -26.6 | 169.9 | -63 | -172 | 142.6 | 0 | 0 | 112.1 | R45 H62 | R45-E60 WeakPolarHBondContact CD-OE2 3.44Å; R45-E60 WeakPolarHBondContact CG-OE2 3.43Å; R45-E60 IonicContact CZ-OE1 2.86Å; R45-E60 IonicContact NH1-OE1 2.8Å; R45-E60 PolarHBondContact NH1-OE1 3.06Å; R45-E60 IonicContact NH1-OE2 3.23Å; R45-E60 PolarHBondContact NH1-OE2 2.77Å; R45-E60 VanDerWaalsContact NH1-OE2 3.09Å; R45-E60 PolarHBondContact O-N 2.97Å; E60-H62 PolarHBondContact O-CD2 3.04Å; E60-H62 PolarHBondContact O-N 2.97Å |
| 61 | D | 89.6 | Confident | 94.4 | Very high | 65 Ų | 65 | 24.5 Ų | 24.5 | 35% | 0.348 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -77.9 | 116.9 | 173.7 | -172.2 | -11.6 | 0 | 0 | 0 | 110.3 | R13 R42 P59 V63 E64 | R13-D61 PolarHBondContact NH2-O 3.18Å; R42-D61 IonicContact NH2-OD2 3.94Å; P59-D61 VanDerWaalsContact C-N 3.27Å; D61-V63 PolarHBondContact O-N 2.79Å; D61-V63 WeakPolarHBondContact OD1-CB 3.05Å; D61-V63 WeakPolarHBondContact OD1-CG2 3.08Å; D61-V63 PolarHBondContact OD1-N 3.48Å; D61-E64 HydrophobicContact CB-CG 4.18Å; D61-E64 PolarHBondContact O-N 2.81Å |
| 62 | H | 88.1 | Confident | 94.3 | Very high | 94 Ų | 94 | 32.3 Ų | 32.3 | 44% | 0.435 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -17 | -177.2 | -64 | 179.9 | 0 | 0 | 0 | 113.7 | R13 E60 N109 N110 | R13-H62 PolarHBondContact NH1-O 2.79Å; E60-H62 PolarHBondContact O-CD2 3.04Å; E60-H62 PolarHBondContact O-N 2.97Å; H62-N109 CarbonylContact O-C 3.57Å; H62-N109 WeakPolarHBondContact O-CA 3.36Å; H62-N109 PolarHBondContact O-N 2.89Å; H62-N109 VanDerWaalsContact O-N 3.14Å; H62-N110 HydrophobicContact CB-CB 4.49Å; H62-N110 PolarHBondContact O-N 3.49Å |
| 63 | V | 90.5 | Very high | 94.3 | Very high | 81 Ų | 81 | 34.5 Ų | 34.5 | 49% | 0.491 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -40.2 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | D61 N109 | D61-V63 PolarHBondContact O-N 2.79Å; D61-V63 WeakPolarHBondContact OD1-CB 3.05Å; D61-V63 WeakPolarHBondContact OD1-CG2 3.08Å; D61-V63 PolarHBondContact OD1-N 3.48Å; V63-N109 PolarHBondContact O-N 3.35Å |
| 64 | E | 91.9 | Very high | 94.4 | Very high | 47 Ų | 47 | 33 Ų | 33 | 22% | 0.22 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -75.1 | 139.2 | -178.5 | -59 | -70.7 | 166.3 | 0 | 0 | 110.8 | R13 R42 I44 P59 D61 | R13-E64 PolarHBondContact NH1-O 2.73Å; R13-E64 PolarHBondContact NH2-O 2.88Å; R42-E64 IonicContact CZ-OE1 2.65Å; R42-E64 VanDerWaalsContact CZ-OE1 3.24Å; R42-E64 IonicContact NH1-OE1 2.8Å; R42-E64 PolarHBondContact NH1-OE1 3.09Å; R42-E64 IonicContact NH2-OE1 2.67Å; R42-E64 PolarHBondContact NH2-OE1 2.96Å; I44-E64 HydrophobicContact CD1-CG 4.22Å; P59-E64 HydrophobicContact CB-CB 3.9Å; P59-E64 HydrophobicContact CG-CB 3.8Å; D61-E64 HydrophobicContact CB-CG 4.18Å; D61-E64 PolarHBondContact O-N 2.81Å |
| 65 | P | 94.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 152.2 | 178.9 | 29.6 | -35 | 0 | 0 | 0 | 112.1 | P59 L67 L105 E108 | P59-P65 WeakPolarHBondContact CD-O 3.09Å; P59-P65 VanDerWaalsContact CG-O 3.31Å; P59-P65 WeakPolarHBondContact CG-O 3.41Å; P65-L67 HydrophobicContact CG-CD2 4.27Å; P65-L105 HydrophobicContact CB-CB 3.96Å; P65-L105 HydrophobicContact CB-CD2 4.36Å; P65-L105 HydrophobicContact CG-CB 4.29Å; P65-L105 HydrophobicContact CG-CD1 4.49Å; P65-L105 HydrophobicContact CG-CD2 3.98Å; P65-E108 HydrophobicContact CB-CB 4.15Å; P65-E108 HydrophobicContact CB-CG 4.45Å |
| 66 | I | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 131.1 | 162.7 | -59.1 | 176 | 0 | 0 | 0 | 107.9 | R13 L18 I56 F57 E58 L105 I106 K107 | R13-I66 HydrophobicContact CB-CD1 3.86Å; L18-I66 HydrophobicContact CD1-CD1 4.07Å; L18-I66 HydrophobicContact CD1-CG2 4.41Å; I56-I66 HydrophobicContact CG2-CG2 3.56Å; F57-I66 WeakPolarHBondContact O-CA 3.41Å; F57-I66 WeakPolarHBondContact O-CG2 3.45Å; E58-I66 HydrophobicContact CG-CD1 4.45Å; E58-I66 HydrophobicContact CG-CG1 4.3Å; I66-L105 WeakPolarHBondContact O-CA 3.28Å; I66-I106 HydrophobicContact CB-CB 4.22Å; I66-I106 WeakPolarHBondContact CB-O 3.37Å; I66-I106 PolarHBondContact N-O 3.09Å; I66-I106 PolarHBondContact O-N 3.1Å; I66-K107 HydrophobicContact CD1-CB 4.28Å; I66-K107 HydrophobicContact CD1-CD 4.19Å |
| 67 | L | 96.3 | Very high | 94 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.073 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.3 | 177.1 | -46.1 | 179 | 0 | 0 | 0 | 108.8 | I56 F57 P65 V103 Y104 L105 F124 | I56-L67 CarbonylContact C-O 3.46Å; I56-L67 VanDerWaalsContact CA-O 3.29Å; I56-L67 WeakPolarHBondContact CA-O 3.25Å; F57-L67 HydrophobicContact CB-CB 4.23Å; F57-L67 HydrophobicContact CB-CD1 4.47Å; F57-L67 HydrophobicContact CD1-CD1 3.87Å; F57-L67 HydrophobicContact CD1-CG 4.15Å; F57-L67 PolarHBondContact N-O 3.22Å; F57-L67 PolarHBondContact O-N 2.78Å; P65-L67 HydrophobicContact CG-CD2 4.27Å; L67-V103 HydrophobicContact CB-CG2 4.18Å; L67-Y104 WeakPolarHBondContact CA-O 3.36Å; L67-L105 HydrophobicContact CD2-CD2 3.16Å; L67-F124 HydrophobicContact CD1-CD1 4Å; L67-F124 HydrophobicContact CD1-CE1 3.86Å |
| 68 | K | 96.7 | Very high | 93.8 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 114.7 | 168 | 173.7 | 178.8 | -176.8 | 179.2 | 0 | 109.1 | L18 D20 E23 I56 Y104 I106 | L18-K68 WeakPolarHBondContact O-CD 3.46Å; L18-K68 WeakPolarHBondContact O-CE 3.15Å; L18-K68 PolarHBondContact O-NZ 3.48Å; D20-K68 IonicContact OD1-NZ 2.78Å; D20-K68 PolarHBondContact OD1-NZ 2.81Å; D20-K68 IonicContact OD2-NZ 2.66Å; D20-K68 PolarHBondContact OD2-NZ 2.94Å; E23-K68 IonicContact OE2-NZ 2.76Å; I56-K68 HydrophobicContact CD1-CD 4.41Å; I56-K68 HydrophobicContact CD1-CG 4.37Å; I56-K68 HydrophobicContact CG1-CB 4.08Å; I56-K68 HydrophobicContact CG1-CG 3.98Å; K68-Y104 HydrophobicContact CG-CD2 4.5Å; K68-Y104 PolarHBondContact N-O 2.98Å; K68-Y104 PolarHBondContact O-N 2.9Å; K68-I106 HydrophobicContact CB-CD1 3.88Å; K68-I106 HydrophobicContact CD-CD1 4.33Å |
| 69 | I | 96.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 108.2 | -177.9 | -57 | 169.1 | 0 | 0 | 0 | 108.2 | S54 I55 L71 I98 C100 V103 F124 | S54-I69 CarbonylContact C-O 3.47Å; S54-I69 VanDerWaalsContact CA-O 3.3Å; S54-I69 WeakPolarHBondContact CA-O 2.84Å; S54-I69 WeakPolarHBondContact CB-O 3.44Å; I55-I69 HydrophobicContact CB-CB 4.37Å; I55-I69 PolarHBondContact N-O 2.89Å; I55-I69 PolarHBondContact O-N 3.07Å; I69-L71 PolarHBondContact O-N 2.88Å; I69-I98 HydrophobicContact CG2-CG2 4.19Å; I69-C100 HydrophobicContact CG2-CB 3.79Å; I69-V103 HydrophobicContact CG1-CG2 3.84Å; I69-F124 HydrophobicContact CD1-CD2 3.74Å; I69-F124 HydrophobicContact CD1-CE2 4.11Å; I69-F124 HydrophobicContact CD1-CG 4.02Å; I69-F124 HydrophobicContact CG1-CE2 4.48Å |
| 70 | P | 95.5 | Very high | 93 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 130.6 | 176.6 | -19 | 32.6 | 0 | 0 | 0 | 111 | R72 D73 C74 Y104 | P70-R72 VanDerWaalsContact C-N 3.26Å; P70-R72 PolarHBondContact O-N 2.98Å; P70-D73 HydrophobicContact CB-CB 4.32Å; P70-D73 PolarHBondContact O-N 3.41Å; P70-D73 VanDerWaalsContact O-N 3.09Å; P70-C74 PolarHBondContact O-N 3.4Å; P70-Y104 HydrophobicContact CG-CD2 3.95Å; P70-Y104 HydrophobicContact CG-CE2 3.53Å |
| 71 | L | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.4 | -37.9 | 179.2 | -72.4 | 171.5 | 0 | 0 | 0 | 111.2 | K53 I55 I69 D73 C74 I77 L141 L144 H145 S148 | K53-L71 VanDerWaalsContact O-CB 3.3Å; K53-L71 WeakPolarHBondContact O-CB 3.37Å; K53-L71 PolarHBondContact O-N 2.75Å; I55-L71 HydrophobicContact CD1-CD2 3.68Å; I55-L71 HydrophobicContact CG1-CD2 3.64Å; I55-L71 HydrophobicContact CG1-CG 4.31Å; I69-L71 PolarHBondContact O-N 2.88Å; L71-D73 PolarHBondContact O-N 3.39Å; L71-D73 VanDerWaalsContact O-N 3.1Å; L71-C74 VanDerWaalsContact O-CB 3.28Å; L71-C74 WeakPolarHBondContact O-CB 3.25Å; L71-C74 PolarHBondContact O-N 3.23Å; L71-I77 HydrophobicContact CD2-CD1 4.07Å; L71-L141 HydrophobicContact CD2-CD2 4.39Å; L71-L144 HydrophobicContact CD1-CB 3.57Å; L71-H145 PolarHBondContact O-CD2 3.15Å; L71-S148 WeakPolarHBondContact CB-OG 3.47Å |
| 72 | R | 93.4 | Very high | 90.6 | Very high | 164 Ų | 164 | 51.9 Ų | 51.9 | 62% | 0.619 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -58.8 | -26.7 | 177.9 | -169.9 | 175.2 | -176.2 | -172.4 | 4.2 | 113.4 | P70 S148 | P70-R72 VanDerWaalsContact C-N 3.26Å; P70-R72 PolarHBondContact O-N 2.98Å; R72-S148 WeakPolarHBondContact CG-O 3.39Å; R72-S148 PolarHBondContact N-OG 3.46Å |
| 73 | D | 94.3 | Very high | 88.9 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 25% | 0.251 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -93.2 | -2.9 | -179.9 | -68 | -40.8 | 0 | 0 | 0 | 113.4 | P70 L71 C100 K101 Q102 | P70-D73 HydrophobicContact CB-CB 4.32Å; P70-D73 PolarHBondContact O-N 3.41Å; P70-D73 VanDerWaalsContact O-N 3.09Å; L71-D73 PolarHBondContact O-N 3.39Å; L71-D73 VanDerWaalsContact O-N 3.1Å; D73-C100 VanDerWaalsContact O-CA 3.31Å; D73-C100 WeakPolarHBondContact O-CA 3.05Å; D73-K101 PolarHBondContact O-N 3Å; D73-Q102 HydrophobicContact CB-CB 4.36Å |
| 74 | C | 95.5 | Very high | 87 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.054 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 126.3 | 174.1 | -67.7 | 0 | 0 | 0 | 0 | 110.8 | P70 L71 I77 L99 H145 | P70-C74 PolarHBondContact O-N 3.4Å; L71-C74 VanDerWaalsContact O-CB 3.28Å; L71-C74 WeakPolarHBondContact O-CB 3.25Å; L71-C74 PolarHBondContact O-N 3.23Å; C74-I77 HydrophobicContact CB-CD1 4.12Å; C74-I77 HydrophobicContact CB-CG1 4.11Å; C74-L99 CarbonylContact C-O 3.48Å; C74-L99 WeakPolarHBondContact CA-O 3.42Å; C74-H145 PolarHBondContact O-NE2 3.47Å |
| 75 | K | 93.9 | Very high | 85 | Confident | 95 Ų | 95 | 66 Ų | 66 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -33.7 | 171 | -64.8 | -172.9 | -178.7 | -177.3 | 0 | 112.3 | L99 K101 D121 | K75-L99 HydrophobicContact CB-CD2 3.92Å; K75-L99 HydrophobicContact CB-CG 4.06Å; K75-L99 HydrophobicContact CD-CD2 4.1Å; K75-L99 HydrophobicContact CD-CG 4.35Å; K75-L99 PolarHBondContact N-O 2.89Å; K75-K101 HydrophobicContact CD-CG 4.39Å; K75-K101 VanDerWaalsContact CE-CG 3.41Å; K75-K101 HydrophobicContact CG-CG 4.24Å; K75-D121 WeakPolarHBondContact CE-OD1 3.5Å; K75-D121 IonicContact NZ-OD1 3.1Å; K75-D121 PolarHBondContact NZ-OD1 2.95Å; K75-D121 IonicContact NZ-OD2 2.87Å; K75-D121 PolarHBondContact NZ-OD2 2.78Å |
| 76 | K | 93.2 | Very high | 83.1 | Confident | 105 Ų | 105 | 70.1 Ų | 70.1 | 46% | 0.457 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 133.1 | -172.6 | -149.4 | -175.8 | -154.3 | -142.5 | 0 | 110.2 | E78 L99 | K76-E78 HydrophobicContact CD-CG 4.35Å; K76-E78 WeakPolarHBondContact CD-OE2 3.48Å; K76-E78 WeakPolarHBondContact CE-OE1 3.27Å; K76-E78 VanDerWaalsContact CE-OE2 3.25Å; K76-E78 WeakPolarHBondContact CE-OE2 3.44Å; K76-E78 HydrophobicContact CG-CG 4.06Å; K76-E78 IonicContact NZ-OE1 2.94Å; K76-E78 PolarHBondContact NZ-OE1 2.94Å; K76-E78 IonicContact NZ-OE2 3.43Å; K76-E78 PolarHBondContact NZ-OE2 3.5Å; K76-L99 HydrophobicContact CB-CB 3.91Å; K76-L99 HydrophobicContact CB-CD2 4.31Å; K76-L99 PolarHBondContact N-O 2.88Å; K76-L99 PolarHBondContact O-N 3.23Å |
| 77 | I | 95 | Very high | 81.1 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 115.7 | 173 | -55.6 | 177.8 | 0 | 0 | 0 | 106.4 | L71 C74 L96 T97 I98 L141 L142 H145 | L71-I77 HydrophobicContact CD2-CD1 4.07Å; C74-I77 HydrophobicContact CB-CD1 4.12Å; C74-I77 HydrophobicContact CB-CG1 4.11Å; I77-L96 HydrophobicContact CG2-CD1 3.88Å; I77-T97 WeakPolarHBondContact CA-O 3.12Å; I77-I98 HydrophobicContact CG2-CG1 4.39Å; I77-L141 HydrophobicContact CD1-CB 4.27Å; I77-L141 HydrophobicContact CG2-CB 4.03Å; I77-L141 HydrophobicContact CG2-CD1 4.21Å; I77-L142 HydrophobicContact CB-CD2 4.1Å; I77-H145 HydrophobicContact CD1-CB 4Å |
| 78 | E | 92.6 | Very high | 79.3 | Confident | 80 Ų | 80 | 83.8 Ų | 83.8 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.8 | -173.6 | -72.4 | 179.7 | 162 | 0 | 0 | 112.7 | K76 T97 | K76-E78 HydrophobicContact CD-CG 4.35Å; K76-E78 WeakPolarHBondContact CD-OE2 3.48Å; K76-E78 WeakPolarHBondContact CE-OE1 3.27Å; K76-E78 VanDerWaalsContact CE-OE2 3.25Å; K76-E78 WeakPolarHBondContact CE-OE2 3.44Å; K76-E78 HydrophobicContact CG-CG 4.06Å; K76-E78 IonicContact NZ-OE1 2.94Å; K76-E78 PolarHBondContact NZ-OE1 2.94Å; K76-E78 IonicContact NZ-OE2 3.43Å; K76-E78 PolarHBondContact NZ-OE2 3.5Å; E78-T97 PolarHBondContact N-O 3.07Å; E78-T97 PolarHBondContact O-N 2.68Å |
| 79 | A | 88.3 | Confident | 77.4 | Confident | 32 Ų | 32 | 89 Ų | 89 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | P93 G95 E135 V138 | A79-P93 HydrophobicContact CB-CB 3.71Å; A79-P93 HydrophobicContact CB-CG 4.29Å; A79-G95 CarbonylContact C-O 3.52Å; A79-G95 WeakPolarHBondContact CA-O 3.32Å; A79-E135 WeakPolarHBondContact CB-OE2 3.44Å; A79-V138 HydrophobicContact CB-CG2 4.11Å |
| 80 | V | 83.3 | Confident | 75.4 | Confident | 59 Ų | 59 | 96.9 Ų | 96.9 | 36% | 0.358 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.1 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | A94 G95 T97 | V80-A94 PolarHBondContact O-N 2.78Å; V80-G95 PolarHBondContact N-O 3.49Å; V80-G95 PolarHBondContact O-N 2.81Å; V80-G95 VanDerWaalsContact O-N 3.08Å; V80-T97 WeakPolarHBondContact CG2-OG1 3.21Å |
| 81 | E | 71.1 | Confident | 73.5 | Confident | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.561 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 128 | 172.4 | -64.2 | 179.2 | 175.1 | 0 | 0 | 109.9 | K83 | E81-K83 PolarHBondContact O-N 2.87Å |
| 82 | E | 60 | Low | 71.7 | Confident | 99 Ų | 99 | 106 Ų | 106 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | trans | -72.3 | 123.2 | 162.6 | -90.4 | -171.5 | 145.1 | 0 | 0 | 107.8 | D84 A94 H127 | E82-D84 PolarHBondContact O-N 2.86Å; E82-A94 HydrophobicContact CB-CB 3.85Å; E82-A94 HydrophobicContact CG-CB 3.89Å; E82-H127 IonicContact OE1-NE2 3.08Å | ||
| 83 | K | 53.4 | Low | 70.1 | Confident | 207 Ų | 207 | 99.5 Ų | 99.5 | 90% | 0.9 | 50% | 0.498 | S | S | * | . | trans | -70.6 | 78 | 166.2 | -71.6 | -173 | 179 | -177.4 | 0 | 108.6 | E81 | E81-K83 PolarHBondContact O-N 2.87Š| ||
| 84 | D | 49.1 | Very low | 69.1 | Low | 115 Ų | 115 | 98.2 Ų | 98.2 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | trans | -69 | 133.4 | 167.1 | -124.6 | -11.9 | 0 | 0 | 0 | 108.2 | E82 N86 | E82-D84 PolarHBondContact O-N 2.86Å; D84-N86 PolarHBondContact O-N 2.9Å | ||
| 85 | Q | 50.2 | Low | 68.5 | Low | 198 Ų | 198 | 97.9 Ų | 97.9 | 93% | 0.925 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -70.3 | 7.6 | -175 | -70.5 | -178.9 | -3.7 | 0 | 0 | 113.6 | P87 | Q85-P87 WeakPolarHBondContact O-CD 3.37Š|
| 86 | N | 54.7 | Low | 68.5 | Low | 99 Ų | 99 | 93.3 Ų | 93.3 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | trans | -110.6 | 104.7 | -168.8 | -145.1 | -3.8 | 0 | 0 | 0 | 111.3 | D84 F88 N89 | D84-N86 PolarHBondContact O-N 2.9Å; N86-F88 PolarHBondContact O-N 3.08Å; N86-N89 PolarHBondContact O-N 2.84Å | ||
| 87 | P | 55.7 | Low | 68.5 | Low | 114 Ų | 114 | 89.7 Ų | 89.7 | 74% | 0.74 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 7.8 | -169.6 | 28.2 | -34.6 | 0 | 0 | 0 | 115.6 | Q85 | Q85-P87 WeakPolarHBondContact O-CD 3.37Š|
| 88 | F | 57.3 | Low | 68.5 | Low | 187 Ų | 187 | 89.3 Ų | 89.3 | 82% | 0.82 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.5 | -4 | -178.6 | -67 | -78.2 | 0 | 0 | 0 | 114.3 | N86 | N86-F88 PolarHBondContact O-N 3.08Š|
| 89 | N | 57.1 | Low | 68.6 | Low | 118 Ų | 118 | 87.4 Ų | 87.4 | 63% | 0.631 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -91.3 | 127.5 | 169.4 | -94.1 | -8.9 | 0 | 0 | 0 | 109.2 | N86 S91 | N86-N89 PolarHBondContact O-N 2.84Å; N89-S91 PolarHBondContact O-N 2.75Å; N89-S91 VanDerWaalsContact O-N 3.17Å |
| 90 | E | 54.4 | Low | 69 | Low | 165 Ų | 165 | 85.9 Ų | 85.9 | 77% | 0.771 | 44% | 0.436 | S | S | * | . | trans | -52.8 | 121.8 | 163.8 | -73.4 | -179.6 | 163.2 | 0 | 0 | 108.5 | K92 | E90-K92 VanDerWaalsContact C-N 3.31Å; E90-K92 PolarHBondContact O-N 2.98Å | ||
| 91 | S | 55.1 | Low | 69.5 | Low | 83 Ų | 83 | 88.5 Ų | 88.5 | 58% | 0.58 | 44% | 0.443 | S | S | * | . | trans | -69.6 | 84.6 | -177.9 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | N89 | N89-S91 PolarHBondContact O-N 2.75Å; N89-S91 VanDerWaalsContact O-N 3.17Å | ||
| 92 | K | 58 | Low | 70.6 | Confident | 124 Ų | 124 | 84.2 Ų | 84.2 | 54% | 0.539 | 42% | 0.423 | S | S | . | . | trans | -78.5 | 141.2 | 169.6 | -68.7 | -177.6 | -179.1 | 177.6 | 0 | 109.3 | E90 A94 | E90-K92 VanDerWaalsContact C-N 3.31Å; E90-K92 PolarHBondContact O-N 2.98Å; K92-A94 PolarHBondContact O-N 3.18Å | ||
| 93 | P | 60.8 | Low | 72.3 | Confident | 27 Ų | 27 | 79.5 Ų | 79.5 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 124.6 | 174.3 | 22.4 | -30.5 | 0 | 0 | 0 | 110.1 | A79 T134 | A79-P93 HydrophobicContact CB-CB 3.71Å; A79-P93 HydrophobicContact CB-CG 4.29Å; P93-T134 HydrophobicContact CB-CG2 4.33Å; P93-T134 PolarHBondContact O-OG1 3.06Å |
| 94 | A | 72.3 | Confident | 74.3 | Confident | 19 Ų | 19 | 72.6 Ų | 72.6 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -16.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V80 E82 K92 H127 | V80-A94 PolarHBondContact O-N 2.78Å; E82-A94 HydrophobicContact CB-CB 3.85Å; E82-A94 HydrophobicContact CG-CB 3.89Å; K92-A94 PolarHBondContact O-N 3.18Å; A94-H127 PolarHBondContact O-CD2 2.66Å |
| 95 | G | 84.1 | Confident | 76.5 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 154.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A79 V80 F126 | A79-G95 CarbonylContact C-O 3.52Å; A79-G95 WeakPolarHBondContact CA-O 3.32Å; V80-G95 PolarHBondContact N-O 3.49Å; V80-G95 PolarHBondContact O-N 2.81Å; V80-G95 VanDerWaalsContact O-N 3.08Å; G95-F126 CarbonylContact C-O 3.52Å; G95-F126 VanDerWaalsContact CA-O 3.26Å; G95-F126 WeakPolarHBondContact CA-O 3.37Å |
| 96 | L | 92.3 | Very high | 78.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.9 | 170.8 | 164.7 | 67.5 | 0 | 0 | 0 | 108.1 | L48 I77 I98 F126 L128 V138 L141 | L48-L96 HydrophobicContact CD2-CD2 3.68Å; I77-L96 HydrophobicContact CG2-CD1 3.88Å; L96-I98 HydrophobicContact CD1-CD1 4.45Å; L96-I98 HydrophobicContact CD1-CG1 4.15Å; L96-I98 HydrophobicContact CD2-CD1 3.98Å; L96-I98 HydrophobicContact CG-CD1 4.11Å; L96-I98 HydrophobicContact CG-CG1 4.15Å; L96-F126 HydrophobicContact CB-CB 4.38Å; L96-F126 HydrophobicContact CD2-CD2 4.48Å; L96-F126 PolarHBondContact N-O 2.99Å; L96-F126 PolarHBondContact O-N 2.88Å; L96-L128 HydrophobicContact CB-CD1 4.17Å; L96-V138 HydrophobicContact CD1-CG2 3.54Å; L96-L141 HydrophobicContact CD1-CD1 4.03Å; L96-L141 HydrophobicContact CD2-CD1 3.83Å |
| 97 | T | 93.8 | Very high | 80.5 | Confident | 29 Ų | 29 | 54.6 Ų | 54.6 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128.8 | 174.3 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | I77 E78 V80 T123 F124 L125 | I77-T97 WeakPolarHBondContact CA-O 3.12Å; E78-T97 PolarHBondContact N-O 3.07Å; E78-T97 PolarHBondContact O-N 2.68Å; V80-T97 WeakPolarHBondContact CG2-OG1 3.21Å; T97-T123 HydrophobicContact CG2-CG2 3.63Å; T97-F124 WeakPolarHBondContact CA-O 3.12Å; T97-L125 WeakPolarHBondContact OG1-CD1 3.44Å |
| 98 | I | 95 | Very high | 82.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.5 | 178 | -62.7 | 160 | 0 | 0 | 0 | 108.6 | I55 I69 I77 L96 T123 F124 F126 | I55-I98 HydrophobicContact CD1-CD1 3.53Å; I55-I98 HydrophobicContact CD1-CG1 4.3Å; I55-I98 HydrophobicContact CG2-CD1 4.41Å; I69-I98 HydrophobicContact CG2-CG2 4.19Å; I77-I98 HydrophobicContact CG2-CG1 4.39Å; L96-I98 HydrophobicContact CD1-CD1 4.45Å; L96-I98 HydrophobicContact CD1-CG1 4.15Å; L96-I98 HydrophobicContact CD2-CD1 3.98Å; L96-I98 HydrophobicContact CG-CD1 4.11Å; L96-I98 HydrophobicContact CG-CG1 4.15Å; I98-T123 WeakPolarHBondContact O-CA 3.46Å; I98-F124 PolarHBondContact N-O 3.5Å; I98-F124 PolarHBondContact O-N 3.12Å; I98-F126 HydrophobicContact CD1-CD2 4.08Å; I98-F126 HydrophobicContact CD1-CE2 3.95Å |
| 99 | L | 95.1 | Very high | 83.7 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 121.2 | 170.9 | 176 | 67.1 | 0 | 0 | 0 | 108.7 | C74 K75 K76 D121 S122 T123 | C74-L99 CarbonylContact C-O 3.48Å; C74-L99 WeakPolarHBondContact CA-O 3.42Å; K75-L99 HydrophobicContact CB-CD2 3.92Å; K75-L99 HydrophobicContact CB-CG 4.06Å; K75-L99 HydrophobicContact CD-CD2 4.1Å; K75-L99 HydrophobicContact CD-CG 4.35Å; K75-L99 PolarHBondContact N-O 2.89Å; K76-L99 HydrophobicContact CB-CB 3.91Å; K76-L99 HydrophobicContact CB-CD2 4.31Å; K76-L99 PolarHBondContact N-O 2.88Å; K76-L99 PolarHBondContact O-N 3.23Å; L99-D121 HydrophobicContact CD1-CB 4.39Å; L99-S122 WeakPolarHBondContact CA-O 3.31Å; L99-T123 WeakPolarHBondContact CD1-OG1 3.1Å |
| 100 | C | 95.4 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 160.4 | 179.5 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | I69 D73 S122 F124 | I69-C100 HydrophobicContact CG2-CB 3.79Å; D73-C100 VanDerWaalsContact O-CA 3.31Å; D73-C100 WeakPolarHBondContact O-CA 3.05Å; C100-S122 PolarHBondContact N-O 3.25Å; C100-S122 PolarHBondContact O-N 3.36Å; C100-F124 VanDerWaalsContact SG-CE2 3.59Å |
| 101 | K | 95.4 | Very high | 86.8 | Confident | 114 Ų | 114 | 42.7 Ų | 42.7 | 50% | 0.496 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -19.6 | 177.9 | -68.6 | 177.3 | -178.2 | 172.6 | 0 | 113.6 | D73 K75 G120 | D73-K101 PolarHBondContact O-N 3Å; K75-K101 HydrophobicContact CD-CG 4.39Å; K75-K101 VanDerWaalsContact CE-CG 3.41Å; K75-K101 HydrophobicContact CG-CG 4.24Å; K101-G120 CarbonylContact C-O 3.57Å; K101-G120 VanDerWaalsContact C-O 3.3Å; K101-G120 CarbonylContact O-C 3.5Å; K101-G120 PolarHBondContact O-N 3.47Å; K101-G120 VanDerWaalsContact O-O 3.04Å |
| 102 | Q | 94.6 | Very high | 88.5 | Confident | 30 Ų | 30 | 40.4 Ų | 40.4 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 138.2 | -171.9 | -171.3 | 170.5 | -57.7 | 0 | 0 | 110.2 | D73 Y104 V117 E118 R119 | D73-Q102 HydrophobicContact CB-CB 4.36Å; Q102-Y104 PolarHBondContact NE2-OH 3.49Å; Q102-V117 HydrophobicContact CG-CG1 3.61Å; Q102-E118 WeakPolarHBondContact CA-O 3.48Å; Q102-R119 HydrophobicContact CG-CG 4.4Å |
| 103 | V | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.9 | 172.8 | 63.8 | 0 | 0 | 0 | 0 | 109.5 | L67 I69 L105 E118 F124 | L67-V103 HydrophobicContact CB-CG2 4.18Å; I69-V103 HydrophobicContact CG1-CG2 3.84Å; V103-L105 HydrophobicContact CG2-CD2 4.4Å; V103-E118 HydrophobicContact CG1-CB 3.81Å; V103-E118 PolarHBondContact N-O 2.92Å; V103-E118 VanDerWaalsContact N-O 3.09Å; V103-E118 PolarHBondContact O-N 2.89Å; V103-F124 HydrophobicContact CB-CE2 4.36Å; V103-F124 HydrophobicContact CB-CZ 4.12Å; V103-F124 HydrophobicContact CG1-CZ 4.01Å; V103-F124 HydrophobicContact CG2-CZ 4.07Å |
| 104 | Y | 95.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 24% | 0.239 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 133.8 | 172.3 | -61.1 | -91 | 0 | 0 | 0 | 109.7 | L67 K68 P70 Q102 V117 | L67-Y104 WeakPolarHBondContact CA-O 3.36Å; K68-Y104 HydrophobicContact CG-CD2 4.5Å; K68-Y104 PolarHBondContact N-O 2.98Å; K68-Y104 PolarHBondContact O-N 2.9Å; P70-Y104 HydrophobicContact CG-CD2 3.95Å; P70-Y104 HydrophobicContact CG-CE2 3.53Å; Q102-Y104 PolarHBondContact NE2-OH 3.49Å; Y104-V117 HydrophobicContact CD1-CB 4.49Å; Y104-V117 HydrophobicContact CD1-CG1 4.44Å; Y104-V117 HydrophobicContact CD1-CG2 3.66Å; Y104-V117 HydrophobicContact CE1-CG1 4.25Å; Y104-V117 HydrophobicContact CE1-CG2 3.61Å |
| 105 | L | 95.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.2 | 177 | -54.8 | 179.5 | 0 | 0 | 0 | 108.9 | P65 I66 L67 V103 R116 E118 | P65-L105 HydrophobicContact CB-CB 3.96Å; P65-L105 HydrophobicContact CB-CD2 4.36Å; P65-L105 HydrophobicContact CG-CB 4.29Å; P65-L105 HydrophobicContact CG-CD1 4.49Å; P65-L105 HydrophobicContact CG-CD2 3.98Å; I66-L105 WeakPolarHBondContact O-CA 3.28Å; L67-L105 HydrophobicContact CD2-CD2 3.16Å; V103-L105 HydrophobicContact CG2-CD2 4.4Å; L105-R116 HydrophobicContact CB-CB 4.21Å; L105-R116 VanDerWaalsContact CD1-CZ 3.41Å; L105-R116 PolarHBondContact N-O 2.88Å; L105-R116 PolarHBondContact O-N 2.97Å; L105-E118 HydrophobicContact CD1-CG 3.92Å; L105-E118 WeakPolarHBondContact CD1-OE1 3.45Å |
| 106 | I | 95.1 | Very high | 93.2 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.4 | -165.4 | -51.4 | 175.5 | 0 | 0 | 0 | 109.2 | L18 I66 K68 E108 Y115 | L18-I106 HydrophobicContact CD2-CD1 4.3Å; L18-I106 HydrophobicContact CD2-CG2 3.85Å; I66-I106 HydrophobicContact CB-CB 4.22Å; I66-I106 WeakPolarHBondContact CB-O 3.37Å; I66-I106 PolarHBondContact N-O 3.09Å; I66-I106 PolarHBondContact O-N 3.1Å; K68-I106 HydrophobicContact CB-CD1 3.88Å; K68-I106 HydrophobicContact CD-CD1 4.33Å; I106-E108 VanDerWaalsContact C-N 3.3Å; I106-E108 PolarHBondContact O-N 2.91Å; I106-Y115 HydrophobicContact CB-CD1 4.23Å; I106-Y115 HydrophobicContact CB-CE1 4.4Å; I106-Y115 HydrophobicContact CD1-CD1 4.24Å; I106-Y115 HydrophobicContact CD1-CD2 3.95Å; I106-Y115 HydrophobicContact CD1-CE1 4.21Å; I106-Y115 HydrophobicContact CD1-CE2 3.93Å; I106-Y115 HydrophobicContact CD1-CG 4.14Å; I106-Y115 HydrophobicContact CG1-CD1 3.76Å; I106-Y115 HydrophobicContact CG1-CD2 4.13Å; I106-Y115 HydrophobicContact CG1-CE1 4.12Å; I106-Y115 HydrophobicContact CG1-CE2 4.47Å; I106-Y115 HydrophobicContact CG1-CG 3.8Å; I106-Y115 HydrophobicContact CG2-CD1 3.78Å; I106-Y115 HydrophobicContact CG2-CE1 3.55Å |
| 107 | K | 92.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | trans | 52.6 | 40.3 | 174.8 | -68.5 | -179.8 | -175.6 | -167.7 | 0 | 114.9 | R13 I66 N109 N110 V111 E399 | R13-K107 HydrophobicContact CB-CD 4.37Å; R13-K107 PolarHBondContact NH1-O 3.31Å; R13-K107 WeakPolarHBondContact O-CD 3.17Å; R13-K107 PolarHBondContact O-NZ 3.16Å; I66-K107 HydrophobicContact CD1-CB 4.28Å; I66-K107 HydrophobicContact CD1-CD 4.19Å; K107-N109 PolarHBondContact O-N 3.09Å; K107-N110 WeakPolarHBondContact O-CA 3.42Å; K107-N110 PolarHBondContact O-N 3.28Å; K107-V111 WeakPolarHBondContact CA-O 3.33Å; K107-E399 WeakPolarHBondContact CE-OE1 3.16Å; K107-E399 IonicContact NZ-OE1 3.55Å; K107-E399 PolarHBondContact NZ-OE1 2.84Å; K107-E399 IonicContact NZ-OE2 3.83Å; K107-E399 PolarHBondContact NZ-OE2 2.75Å | ||
| 108 | E | 91.2 | Very high | 93.2 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -57.8 | 135.1 | 168.4 | -165.6 | 172.8 | -163.1 | 0 | 0 | 109.3 | P65 I106 N110 V111 R116 | P65-E108 HydrophobicContact CB-CB 4.15Å; P65-E108 HydrophobicContact CB-CG 4.45Å; I106-E108 VanDerWaalsContact C-N 3.3Å; I106-E108 PolarHBondContact O-N 2.91Å; E108-N110 PolarHBondContact O-N 3.46Å; E108-N110 VanDerWaalsContact O-N 3.09Å; E108-V111 PolarHBondContact O-N 3.09Å; E108-V111 VanDerWaalsContact O-N 3.1Å; E108-R116 IonicContact OE1-NH1 3.55Å; E108-R116 IonicContact OE2-NH1 2.94Å; E108-R116 PolarHBondContact OE2-NH1 3.26Å |
| 109 | N | 89.8 | Confident | 93.2 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | 55.1 | 22 | -171.8 | -56.7 | -62.4 | 0 | 0 | 0 | 114.8 | H62 V63 K107 V111 | H62-N109 CarbonylContact O-C 3.57Å; H62-N109 WeakPolarHBondContact O-CA 3.36Å; H62-N109 PolarHBondContact O-N 2.89Å; H62-N109 VanDerWaalsContact O-N 3.14Å; V63-N109 PolarHBondContact O-N 3.35Å; K107-N109 PolarHBondContact O-N 3.09Å; N109-V111 HydrophobicContact CB-CG2 4.22Å; N109-V111 PolarHBondContact O-N 2.62Å |
| 110 | N | 88.6 | Confident | 92.9 | Very high | 72 Ų | 72 | 57.5 Ų | 57.5 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | 58.6 | 29.9 | -174.1 | -160.8 | 34.4 | 0 | 0 | 0 | 114 | R13 H62 K107 E108 | R13-N110 WeakPolarHBondContact CD-OD1 3.48Å; R13-N110 WeakPolarHBondContact CG-OD1 3.48Å; H62-N110 HydrophobicContact CB-CB 4.49Å; H62-N110 PolarHBondContact O-N 3.49Å; K107-N110 WeakPolarHBondContact O-CA 3.42Å; K107-N110 PolarHBondContact O-N 3.28Å; E108-N110 PolarHBondContact O-N 3.46Å; E108-N110 VanDerWaalsContact O-N 3.09Å |
| 111 | V | 88.8 | Confident | 92.7 | Very high | 84 Ų | 84 | 62.4 Ų | 62.4 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | trans | -96.2 | 129.5 | 177.9 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | K107 E108 N109 A113 | K107-V111 WeakPolarHBondContact CA-O 3.33Å; E108-V111 PolarHBondContact O-N 3.09Å; E108-V111 VanDerWaalsContact O-N 3.1Å; N109-V111 HydrophobicContact CB-CG2 4.22Å; N109-V111 PolarHBondContact O-N 2.62Å; V111-A113 HydrophobicContact CG1-CB 4.38Å; V111-A113 PolarHBondContact O-N 3.44Å | ||
| 112 | V | 89.5 | Confident | 92.5 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | trans | -77.7 | 109.4 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | P398 E399 L402 | V112-P398 HydrophobicContact CB-CG 4.49Å; V112-P398 HydrophobicContact CG1-CB 3.88Å; V112-P398 HydrophobicContact CG1-CG 3.93Å; V112-E399 HydrophobicContact CB-CG 4.45Å; V112-E399 HydrophobicContact CG1-CG 3.62Å; V112-E399 HydrophobicContact CG2-CG 3.91Å; V112-E399 VanDerWaalsContact CG2-OE1 3.27Å; V112-E399 WeakPolarHBondContact CG2-OE1 3.46Å; V112-L402 HydrophobicContact CG1-CD1 3.72Å | ||
| 113 | A | 91.6 | Very high | 92.4 | Very high | 42 Ų | 42 | 61.5 Ų | 61.5 | 35% | 0.347 | 32% | 0.323 | S | S | . | . | trans | -151.1 | 164.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V111 L402 | V111-A113 HydrophobicContact CG1-CB 4.38Å; V111-A113 PolarHBondContact O-N 3.44Å; A113-L402 WeakPolarHBondContact O-CD1 2.91Å | ||
| 114 | P | 93.5 | Very high | 92.3 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 140.8 | 173.7 | -28.4 | 37.4 | 0 | 0 | 0 | 112.9 | R116 L402 G407 Y409 | P114-R116 PolarHBondContact O-N 3.25Å; P114-L402 HydrophobicContact CG-CD2 4.4Å; P114-G407 CarbonylContact C-O 3.51Å; P114-G407 VanDerWaalsContact CA-O 3.23Å; P114-G407 WeakPolarHBondContact CA-O 3.33Å; P114-Y409 HydrophobicContact CG-CD2 3.68Å; P114-Y409 HydrophobicContact CG-CE2 3.93Å; P114-Y409 HydrophobicContact CG-CG 4.41Å |
| 115 | Y | 94.3 | Very high | 92.2 | Very high | 32 Ų | 32 | 62 Ų | 62 | 13% | 0.125 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 130.3 | -175.6 | -57.2 | -12 | 0 | 0 | 0 | 110.4 | L18 I106 L402 G407 | L18-Y115 HydrophobicContact CD2-CE1 4.47Å; L18-Y115 WeakPolarHBondContact CD2-OH 3.46Å; I106-Y115 HydrophobicContact CB-CD1 4.23Å; I106-Y115 HydrophobicContact CB-CE1 4.4Å; I106-Y115 HydrophobicContact CD1-CD1 4.24Å; I106-Y115 HydrophobicContact CD1-CD2 3.95Å; I106-Y115 HydrophobicContact CD1-CE1 4.21Å; I106-Y115 HydrophobicContact CD1-CE2 3.93Å; I106-Y115 HydrophobicContact CD1-CG 4.14Å; I106-Y115 HydrophobicContact CG1-CD1 3.76Å; I106-Y115 HydrophobicContact CG1-CD2 4.13Å; I106-Y115 HydrophobicContact CG1-CE1 4.12Å; I106-Y115 HydrophobicContact CG1-CE2 4.47Å; I106-Y115 HydrophobicContact CG1-CG 3.8Å; I106-Y115 HydrophobicContact CG2-CD1 3.78Å; I106-Y115 HydrophobicContact CG2-CE1 3.55Å; Y115-L402 HydrophobicContact CE1-CB 4.31Å; Y115-L402 HydrophobicContact CE1-CD1 4.22Å; Y115-G407 PolarHBondContact N-O 3.14Å |
| 116 | R | 94.4 | Very high | 92.1 | Very high | 114 Ų | 114 | 61.5 Ų | 61.5 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.3 | 173.2 | -175.2 | 175.6 | 93.8 | -150.2 | 8 | 108.7 | L105 E108 P114 E118 | L105-R116 HydrophobicContact CB-CB 4.21Å; L105-R116 VanDerWaalsContact CD1-CZ 3.41Å; L105-R116 PolarHBondContact N-O 2.88Å; L105-R116 PolarHBondContact O-N 2.97Å; E108-R116 IonicContact OE1-NH1 3.55Å; E108-R116 IonicContact OE2-NH1 2.94Å; E108-R116 PolarHBondContact OE2-NH1 3.26Å; P114-R116 PolarHBondContact O-N 3.25Å; R116-E118 IonicContact CZ-OE1 3.62Å; R116-E118 IonicContact NE-OE1 3.46Å; R116-E118 PolarHBondContact NE-OE1 2.97Å; R116-E118 IonicContact NH2-OE1 2.88Å; R116-E118 PolarHBondContact NH2-OE1 2.86Å |
| 117 | V | 94.1 | Very high | 92 | Very high | 43 Ų | 43 | 62.3 Ų | 62.3 | 26% | 0.261 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.1 | -179.1 | -169.9 | 0 | 0 | 0 | 0 | 109.3 | Q102 Y104 R119 | Q102-V117 HydrophobicContact CG-CG1 3.61Å; Y104-V117 HydrophobicContact CD1-CB 4.49Å; Y104-V117 HydrophobicContact CD1-CG1 4.44Å; Y104-V117 HydrophobicContact CD1-CG2 3.66Å; Y104-V117 HydrophobicContact CE1-CG1 4.25Å; Y104-V117 HydrophobicContact CE1-CG2 3.61Å; V117-R119 HydrophobicContact CG1-CG 4.08Å |
| 118 | E | 93.8 | Very high | 91.9 | Very high | 79 Ų | 79 | 62 Ų | 62 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121 | 170.4 | -67 | -176.3 | 177.7 | 0 | 0 | 108.9 | Q102 V103 L105 R116 | Q102-E118 WeakPolarHBondContact CA-O 3.48Å; V103-E118 HydrophobicContact CG1-CB 3.81Å; V103-E118 PolarHBondContact N-O 2.92Å; V103-E118 VanDerWaalsContact N-O 3.09Å; V103-E118 PolarHBondContact O-N 2.89Å; L105-E118 HydrophobicContact CD1-CG 3.92Å; L105-E118 WeakPolarHBondContact CD1-OE1 3.45Å; R116-E118 IonicContact CZ-OE1 3.62Å; R116-E118 IonicContact NE-OE1 3.46Å; R116-E118 PolarHBondContact NE-OE1 2.97Å; R116-E118 IonicContact NH2-OE1 2.88Å; R116-E118 PolarHBondContact NH2-OE1 2.86Å |
| 119 | R | 93.1 | Very high | 91.8 | Very high | 193 Ų | 193 | 62.6 Ų | 62.6 | 73% | 0.728 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.7 | -179.5 | -64.5 | -177.3 | 177.2 | -169.8 | -1.5 | 109.7 | Q102 V117 | Q102-R119 HydrophobicContact CG-CG 4.4Å; V117-R119 HydrophobicContact CG1-CG 4.08Å |
| 120 | G | 89.8 | Confident | 91.6 | Very high | 36 Ų | 36 | 61.5 Ų | 61.5 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.5 | 161.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K101 S122 | K101-G120 CarbonylContact C-O 3.57Å; K101-G120 VanDerWaalsContact C-O 3.3Å; K101-G120 CarbonylContact O-C 3.5Å; K101-G120 PolarHBondContact O-N 3.47Å; K101-G120 VanDerWaalsContact O-O 3.04Å; G120-S122 PolarHBondContact O-N 2.56Å; G120-S122 VanDerWaalsContact O-N 3.09Å; G120-S122 PolarHBondContact O-OG 3Å |
| 121 | D | 91.2 | Very high | 91.2 | Very high | 103 Ų | 103 | 61 Ų | 61 | 55% | 0.551 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 112.9 | 179.1 | -75.1 | 1.4 | 0 | 0 | 0 | 110.1 | K75 L99 | K75-D121 WeakPolarHBondContact CE-OD1 3.5Å; K75-D121 IonicContact NZ-OD1 3.1Å; K75-D121 PolarHBondContact NZ-OD1 2.95Å; K75-D121 IonicContact NZ-OD2 2.87Å; K75-D121 PolarHBondContact NZ-OD2 2.78Å; L99-D121 HydrophobicContact CD1-CB 4.39Å |
| 122 | S | 91.6 | Very high | 90.9 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.8 | -178 | -57.6 | 0 | 0 | 0 | 0 | 109.7 | L99 C100 G120 | L99-S122 WeakPolarHBondContact CA-O 3.31Å; C100-S122 PolarHBondContact N-O 3.25Å; C100-S122 PolarHBondContact O-N 3.36Å; G120-S122 PolarHBondContact O-N 2.56Å; G120-S122 VanDerWaalsContact O-N 3.09Å; G120-S122 PolarHBondContact O-OG 3Å |
| 123 | T | 92.7 | Very high | 90.8 | Very high | 95 Ų | 95 | 63.6 Ų | 63.6 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 123.3 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 109.8 | T97 I98 L99 | T97-T123 HydrophobicContact CG2-CG2 3.63Å; I98-T123 WeakPolarHBondContact O-CA 3.46Å; L99-T123 WeakPolarHBondContact CD1-OG1 3.1Å |
| 124 | F | 93.4 | Very high | 90.6 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 132.3 | 177.4 | -60.4 | -85.5 | 0 | 0 | 0 | 109.9 | H33 L67 I69 T97 I98 C100 V103 F126 | H33-F124 AromaticContact CE1-CD1 3.93Å; H33-F124 AromaticContact NE2-CD1 3.55Å; L67-F124 HydrophobicContact CD1-CD1 4Å; L67-F124 HydrophobicContact CD1-CE1 3.86Å; I69-F124 HydrophobicContact CD1-CD2 3.74Å; I69-F124 HydrophobicContact CD1-CE2 4.11Å; I69-F124 HydrophobicContact CD1-CG 4.02Å; I69-F124 HydrophobicContact CG1-CE2 4.48Å; T97-F124 WeakPolarHBondContact CA-O 3.12Å; I98-F124 PolarHBondContact N-O 3.5Å; I98-F124 PolarHBondContact O-N 3.12Å; C100-F124 VanDerWaalsContact SG-CE2 3.59Å; V103-F124 HydrophobicContact CB-CE2 4.36Å; V103-F124 HydrophobicContact CB-CZ 4.12Å; V103-F124 HydrophobicContact CG1-CZ 4.01Å; V103-F124 HydrophobicContact CG2-CZ 4.07Å; F124-F126 HydrophobicContact CB-CD2 4.33Å; F124-F126 HydrophobicContact CB-CE2 3.54Å; F124-F126 HydrophobicContact CB-CZ 3.94Å; F124-F126 HydrophobicContact CG-CE2 4.47Å |
| 125 | L | 92.9 | Very high | 90.4 | Very high | 51 Ų | 51 | 62.4 Ų | 62.4 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 116 | 178.6 | 176.9 | 62.7 | 0 | 0 | 0 | 110 | V34 T97 | V34-L125 HydrophobicContact CB-CD2 4.18Å; V34-L125 HydrophobicContact CB-CG 4.33Å; V34-L125 HydrophobicContact CG1-CD2 4.48Å; V34-L125 PolarHBondContact N-O 2.78Å; T97-L125 WeakPolarHBondContact OG1-CD1 3.44Å |
| 126 | F | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.2 | 179.6 | -60.7 | -76.7 | 0 | 0 | 0 | 110.5 | V31 Y32 H33 L48 F57 G95 L96 I98 F124 | V31-F126 HydrophobicContact CB-CB 4.26Å; V31-F126 HydrophobicContact CG2-CB 4.22Å; V31-F126 HydrophobicContact CG2-CD1 3.67Å; V31-F126 HydrophobicContact CG2-CE1 4.47Å; V31-F126 HydrophobicContact CG2-CG 4.29Å; Y32-F126 CarbonylContact O-C 3.52Å; Y32-F126 WeakPolarHBondContact O-CA 3.38Å; H33-F126 HydrophobicContact CB-CD1 3.82Å; H33-F126 HydrophobicContact CB-CE1 3.69Å; H33-F126 AromaticContact CD2-CE1 3.74Å; H33-F126 AromaticContact CG-CE1 3.75Å; L48-F126 HydrophobicContact CD1-CD1 4.39Å; L48-F126 HydrophobicContact CD1-CD2 4.41Å; L48-F126 HydrophobicContact CD1-CE1 4.25Å; L48-F126 HydrophobicContact CD1-CE2 4.26Å; L48-F126 HydrophobicContact CD1-CG 4.47Å; L48-F126 HydrophobicContact CD1-CZ 4.18Å; F57-F126 HydrophobicContact CB-CE1 3.95Å; F57-F126 HydrophobicContact CB-CZ 4.09Å; F57-F126 AromaticContact CD1-CE1 3.94Å; F57-F126 HydrophobicContact CD1-CE1 3.94Å; F57-F126 HydrophobicContact CD2-CD1 4.19Å; F57-F126 AromaticContact CD2-CE1 3.72Å; F57-F126 HydrophobicContact CD2-CE1 3.72Å; F57-F126 HydrophobicContact CE1-CE1 4.37Å; F57-F126 HydrophobicContact CE2-CD1 4.4Å; F57-F126 HydrophobicContact CE2-CE1 4.19Å; F57-F126 HydrophobicContact CG-CD1 4.48Å; F57-F126 AromaticContact CG-CE1 3.58Å; F57-F126 HydrophobicContact CG-CE1 3.58Å; F57-F126 HydrophobicContact CG-CZ 4.21Å; F57-F126 HydrophobicContact CZ-CE1 4.49Å; G95-F126 CarbonylContact C-O 3.52Å; G95-F126 VanDerWaalsContact CA-O 3.26Å; G95-F126 WeakPolarHBondContact CA-O 3.37Å; L96-F126 HydrophobicContact CB-CB 4.38Å; L96-F126 HydrophobicContact CD2-CD2 4.48Å; L96-F126 PolarHBondContact N-O 2.99Å; L96-F126 PolarHBondContact O-N 2.88Å; I98-F126 HydrophobicContact CD1-CD2 4.08Å; I98-F126 HydrophobicContact CD1-CE2 3.95Å; F124-F126 HydrophobicContact CB-CD2 4.33Å; F124-F126 HydrophobicContact CB-CE2 3.54Å; F124-F126 HydrophobicContact CB-CZ 3.94Å; F124-F126 HydrophobicContact CG-CE2 4.47Å |
| 127 | H | 91.1 | Very high | 90.1 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 10% | 0.102 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.5 | 169.6 | -64.2 | 71.8 | 0 | 0 | 0 | 108.8 | V31 Y32 V34 E82 A94 | V31-H127 CarbonylContact C-O 3.52Å; V31-H127 WeakPolarHBondContact CA-O 3.48Å; V31-H127 WeakPolarHBondContact CB-O 3.37Å; Y32-H127 PolarHBondContact N-O 3.03Å; Y32-H127 PolarHBondContact O-N 3.23Å; V34-H127 VanDerWaalsContact CG2-CE1 3.43Å; V34-H127 WeakPolarHBondContact CG2-CE1 3.45Å; V34-H127 WeakPolarHBondContact CG2-ND1 3.49Å; E82-H127 IonicContact OE1-NE2 3.08Å; A94-H127 PolarHBondContact O-CD2 2.66Å |
| 128 | L | 90.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 138.6 | 176 | -78.1 | 69.1 | 0 | 0 | 0 | 109.4 | V31 L96 V130 K133 T134 V137 | V31-L128 HydrophobicContact CG1-CD1 4.13Å; V31-L128 HydrophobicContact CG1-CG 3.95Å; L96-L128 HydrophobicContact CB-CD1 4.17Å; L128-V130 PolarHBondContact O-N 3.24Å; L128-K133 HydrophobicContact CD2-CB 4.28Å; L128-T134 HydrophobicContact CD1-CG2 4.44Å; L128-V137 HydrophobicContact CD2-CB 4.33Å; L128-V137 HydrophobicContact CD2-CG2 3.91Å |
| 129 | E | 88.7 | Confident | 90 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -62.3 | -32.2 | 173.8 | -174.1 | 158.8 | -126.4 | 0 | 0 | 111.2 | T30 Y32 R45 | T30-E129 WeakPolarHBondContact CB-OE2 3.48Å; T30-E129 HydrophobicContact CG2-CB 4.43Å; T30-E129 WeakPolarHBondContact CG2-OE2 3.44Å; T30-E129 WeakPolarHBondContact O-CB 3.29Å; T30-E129 PolarHBondContact O-N 2.85Å; Y32-E129 HydrophobicContact CE2-CB 4.33Å; Y32-E129 PolarHBondContact OH-OE1 3.44Å; R45-E129 IonicContact NE-OE1 3.31Å; R45-E129 IonicContact NH2-OE1 3.07Å; R45-E129 IonicContact NH2-OE2 2.68Å; R45-E129 PolarHBondContact NH2-OE2 2.9Å |
| 130 | V | 86.3 | Confident | 90 | Very high | 74 Ų | 74 | 51.3 Ų | 51.3 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -105.5 | 88.2 | 172.5 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | L128 S132 K133 | L128-V130 PolarHBondContact O-N 3.24Å; V130-S132 WeakPolarHBondContact CG1-OG 3.38Å; V130-S132 PolarHBondContact O-N 2.75Å; V130-S132 VanDerWaalsContact O-N 3.13Å; V130-K133 HydrophobicContact CG1-CD 4.29Å; V130-K133 HydrophobicContact CG1-CG 4.01Å; V130-K133 PolarHBondContact O-N 3.01Å; V130-K133 VanDerWaalsContact O-N 3.1Å |
| 131 | S | 80.8 | Confident | 90.2 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 42% | 0.42 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -60.1 | -25.1 | -174.3 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | K133 T134 | S131-K133 PolarHBondContact O-N 2.92Å; S131-T134 PolarHBondContact O-N 2.84Å; S131-T134 PolarHBondContact O-OG1 3.17Å |
| 132 | S | 82.7 | Confident | 90.4 | Very high | 75 Ų | 75 | 47 Ų | 47 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -66.4 | -17.7 | 177.5 | 63.1 | 0 | 0 | 0 | 0 | 114 | V130 | V130-S132 WeakPolarHBondContact CG1-OG 3.38Å; V130-S132 PolarHBondContact O-N 2.75Å; V130-S132 VanDerWaalsContact O-N 3.13Å |
| 133 | K | 86.3 | Confident | 90.4 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -92.5 | -7.2 | 179.7 | -67.1 | -171.7 | 176.3 | -173.6 | 0 | 113.8 | L128 V130 S131 E135 D136 V137 | L128-K133 HydrophobicContact CD2-CB 4.28Å; V130-K133 HydrophobicContact CG1-CD 4.29Å; V130-K133 HydrophobicContact CG1-CG 4.01Å; V130-K133 PolarHBondContact O-N 3.01Å; V130-K133 VanDerWaalsContact O-N 3.1Å; S131-K133 PolarHBondContact O-N 2.92Å; K133-E135 VanDerWaalsContact C-N 3.31Å; K133-E135 PolarHBondContact O-N 2.67Å; K133-D136 PolarHBondContact O-N 3.39Å; K133-V137 WeakPolarHBondContact O-CG2 3.4Å; K133-V137 PolarHBondContact O-N 2.94Å |
| 134 | T | 88.4 | Confident | 90.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.6 | -45.2 | -172 | -53.7 | 0 | 0 | 0 | 0 | 112.4 | P93 L128 S131 V137 V138 | P93-T134 HydrophobicContact CB-CG2 4.33Å; P93-T134 PolarHBondContact O-OG1 3.06Å; L128-T134 HydrophobicContact CD1-CG2 4.44Å; S131-T134 PolarHBondContact O-N 2.84Å; S131-T134 PolarHBondContact O-OG1 3.17Å; T134-V137 PolarHBondContact O-N 3.32Å; T134-V138 VanDerWaalsContact O-CG2 3.26Å; T134-V138 WeakPolarHBondContact O-CG2 3.23Å; T134-V138 PolarHBondContact O-N 3.27Å |
| 135 | E | 89.1 | Confident | 90.5 | Very high | 77 Ų | 77 | 45.8 Ų | 45.8 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.4 | -44.6 | -179.2 | -167.3 | 58.6 | -146.2 | 0 | 0 | 111.6 | A79 K133 V137 V138 Q139 | A79-E135 WeakPolarHBondContact CB-OE2 3.44Å; K133-E135 VanDerWaalsContact C-N 3.31Å; K133-E135 PolarHBondContact O-N 2.67Å; E135-V137 VanDerWaalsContact C-N 3.3Å; E135-V137 PolarHBondContact O-N 3.46Å; E135-V138 PolarHBondContact O-N 3.27Å; E135-V138 VanDerWaalsContact O-N 3.16Å; E135-Q139 WeakPolarHBondContact O-CG 3.3Å; E135-Q139 PolarHBondContact O-N 2.89Å; E135-Q139 PolarHBondContact OE1-NE2 2.98Å |
| 136 | D | 90.3 | Very high | 90.5 | Very high | 106 Ų | 106 | 50.4 Ų | 50.4 | 57% | 0.567 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.9 | -40.8 | 178.2 | -61.8 | -27.5 | 0 | 0 | 0 | 111.9 | K133 Q139 T140 | K133-D136 PolarHBondContact O-N 3.39Å; D136-Q139 PolarHBondContact O-N 3.31Å; D136-T140 WeakPolarHBondContact O-CB 3.47Å; D136-T140 PolarHBondContact O-N 2.98Å; D136-T140 PolarHBondContact O-OG1 3.44Å |
| 137 | V | 92.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 176.2 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | H29 V50 L128 K133 T134 E135 Q139 T140 L141 | H29-V137 VanDerWaalsContact NE2-CG2 3.35Å; H29-V137 WeakPolarHBondContact NE2-CG2 3.07Å; V50-V137 HydrophobicContact CG2-CG1 4.44Å; L128-V137 HydrophobicContact CD2-CB 4.33Å; L128-V137 HydrophobicContact CD2-CG2 3.91Å; K133-V137 WeakPolarHBondContact O-CG2 3.4Å; K133-V137 PolarHBondContact O-N 2.94Å; T134-V137 PolarHBondContact O-N 3.32Å; E135-V137 VanDerWaalsContact C-N 3.3Å; E135-V137 PolarHBondContact O-N 3.46Å; V137-Q139 PolarHBondContact O-N 2.82Å; V137-T140 PolarHBondContact O-N 2.8Å; V137-L141 HydrophobicContact CG1-CD1 4.05Å; V137-L141 HydrophobicContact CG1-CG 4.37Å; V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.3Å; V137-L141 PolarHBondContact O-N 3.21Å |
| 138 | V | 93.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 175.8 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | A79 L96 T134 E135 T140 L141 L142 | A79-V138 HydrophobicContact CB-CG2 4.11Å; L96-V138 HydrophobicContact CD1-CG2 3.54Å; T134-V138 VanDerWaalsContact O-CG2 3.26Å; T134-V138 WeakPolarHBondContact O-CG2 3.23Å; T134-V138 PolarHBondContact O-N 3.27Å; E135-V138 PolarHBondContact O-N 3.27Å; E135-V138 VanDerWaalsContact O-N 3.16Å; V138-T140 VanDerWaalsContact C-N 3.33Å; V138-T140 PolarHBondContact O-N 3.46Å; V138-L141 PolarHBondContact O-N 3.42Å; V138-L142 HydrophobicContact CG1-CD1 3.85Å; V138-L142 HydrophobicContact CG1-CG 4.29Å; V138-L142 WeakPolarHBondContact O-CB 3.28Å; V138-L142 VanDerWaalsContact O-CG 3.3Å; V138-L142 WeakPolarHBondContact O-CG 3.46Å; V138-L142 PolarHBondContact O-N 3.44Å |
| 139 | Q | 92.6 | Very high | 90.2 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 178.5 | -67.8 | -58.6 | -30.5 | 0 | 0 | 111.9 | E135 D136 V137 L142 Q143 | E135-Q139 WeakPolarHBondContact O-CG 3.3Å; E135-Q139 PolarHBondContact O-N 2.89Å; E135-Q139 PolarHBondContact OE1-NE2 2.98Å; D136-Q139 PolarHBondContact O-N 3.31Å; V137-Q139 PolarHBondContact O-N 2.82Å; Q139-L142 PolarHBondContact O-N 3.03Å; Q139-Q143 PolarHBondContact O-N 3.24Å |
| 140 | T | 92.5 | Very high | 90.3 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 174.5 | -59.7 | 0 | 0 | 0 | 0 | 111 | V50 D136 V137 V138 L142 Q143 L144 | V50-T140 HydrophobicContact CG1-CG2 4.26Å; D136-T140 WeakPolarHBondContact O-CB 3.47Å; D136-T140 PolarHBondContact O-N 2.98Å; D136-T140 PolarHBondContact O-OG1 3.44Å; V137-T140 PolarHBondContact O-N 2.8Å; V138-T140 VanDerWaalsContact C-N 3.33Å; V138-T140 PolarHBondContact O-N 3.46Å; T140-L142 VanDerWaalsContact C-N 3.33Å; T140-L142 PolarHBondContact O-N 3.23Å; T140-Q143 WeakPolarHBondContact O-CB 3.44Å; T140-Q143 PolarHBondContact O-N 2.88Å; T140-Q143 VanDerWaalsContact O-N 3.16Å; T140-L144 HydrophobicContact CG2-CD1 4.15Å; T140-L144 WeakPolarHBondContact O-CG 3.26Å; T140-L144 PolarHBondContact O-N 3.43Å |
| 141 | L | 95.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -38.7 | 177.5 | -71.4 | 176.2 | 0 | 0 | 0 | 112.3 | V50 I55 L71 I77 L96 V137 V138 Q143 L144 H145 | V50-L141 HydrophobicContact CG1-CD2 3.79Å; V50-L141 HydrophobicContact CG2-CD2 4.21Å; I55-L141 HydrophobicContact CD1-CD1 3.96Å; I55-L141 HydrophobicContact CD1-CD2 3.65Å; I55-L141 HydrophobicContact CD1-CG 4.37Å; I55-L141 HydrophobicContact CG1-CD2 3.67Å; L71-L141 HydrophobicContact CD2-CD2 4.39Å; I77-L141 HydrophobicContact CD1-CB 4.27Å; I77-L141 HydrophobicContact CG2-CB 4.03Å; I77-L141 HydrophobicContact CG2-CD1 4.21Å; L96-L141 HydrophobicContact CD1-CD1 4.03Å; L96-L141 HydrophobicContact CD2-CD1 3.83Å; V137-L141 HydrophobicContact CG1-CD1 4.05Å; V137-L141 HydrophobicContact CG1-CG 4.37Å; V137-L141 WeakPolarHBondContact O-CB 3.5Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.3Å; V137-L141 PolarHBondContact O-N 3.21Å; V138-L141 PolarHBondContact O-N 3.42Å; L141-Q143 VanDerWaalsContact C-N 3.34Å; L141-L144 PolarHBondContact O-N 3.33Å; L141-H145 WeakPolarHBondContact O-CB 3.22Å; L141-H145 PolarHBondContact O-N 2.71Å |
| 142 | L | 94.5 | Very high | 90.4 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 175.5 | -74.2 | 171.8 | 0 | 0 | 0 | 112.4 | I77 V138 Q139 T140 R146 | I77-L142 HydrophobicContact CB-CD2 4.1Å; V138-L142 HydrophobicContact CG1-CD1 3.85Å; V138-L142 HydrophobicContact CG1-CG 4.29Å; V138-L142 WeakPolarHBondContact O-CB 3.28Å; V138-L142 VanDerWaalsContact O-CG 3.3Å; V138-L142 WeakPolarHBondContact O-CG 3.46Å; V138-L142 PolarHBondContact O-N 3.44Å; Q139-L142 PolarHBondContact O-N 3.03Å; T140-L142 VanDerWaalsContact C-N 3.33Å; T140-L142 PolarHBondContact O-N 3.23Å; L142-R146 VanDerWaalsContact O-CG 3.3Å; L142-R146 WeakPolarHBondContact O-CG 3.44Å; L142-R146 PolarHBondContact O-N 3.43Å; L142-R146 VanDerWaalsContact O-N 3.14Å; L142-R146 PolarHBondContact O-NE 3.45Å |
| 143 | Q | 92.6 | Very high | 90.4 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67 | -46.2 | 173.4 | -172.3 | -176.3 | 15 | 0 | 0 | 111.5 | Q139 T140 L141 R146 A147 N163 | Q139-Q143 PolarHBondContact O-N 3.24Å; T140-Q143 WeakPolarHBondContact O-CB 3.44Å; T140-Q143 PolarHBondContact O-N 2.88Å; T140-Q143 VanDerWaalsContact O-N 3.16Å; L141-Q143 VanDerWaalsContact C-N 3.34Å; Q143-R146 PolarHBondContact O-N 3.24Å; Q143-A147 PolarHBondContact O-N 3.36Å; Q143-N163 PolarHBondContact NE2-OD1 3.46Å |
| 144 | L | 93.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.6 | -35.7 | 178.3 | -61.2 | 173.4 | 0 | 0 | 0 | 111.8 | F26 V50 C51 L71 T140 L141 A147 S148 | F26-L144 HydrophobicContact CD2-CD1 4.17Å; F26-L144 HydrophobicContact CE2-CD1 4.32Å; F26-L144 HydrophobicContact CE2-CD2 3.9Å; V50-L144 HydrophobicContact CG1-CD1 3.76Å; C51-L144 WeakPolarHBondContact O-CD1 3.34Å; L71-L144 HydrophobicContact CD1-CB 3.57Å; T140-L144 HydrophobicContact CG2-CD1 4.15Å; T140-L144 WeakPolarHBondContact O-CG 3.26Å; T140-L144 PolarHBondContact O-N 3.43Å; L141-L144 PolarHBondContact O-N 3.33Å; L144-A147 WeakPolarHBondContact O-CA 3.14Å; L144-A147 WeakPolarHBondContact O-CB 3.47Å; L144-A147 PolarHBondContact O-N 3.5Å; L144-A147 VanDerWaalsContact O-N 3.1Å; L144-S148 PolarHBondContact O-N 3.26Å |
| 145 | H | 94.4 | Very high | 90.2 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 16% | 0.162 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | 172.1 | 177.9 | -103.6 | 0 | 0 | 0 | 111.6 | L71 C74 I77 L141 A147 S148 C149 | L71-H145 PolarHBondContact O-CD2 3.15Å; C74-H145 PolarHBondContact O-NE2 3.47Å; I77-H145 HydrophobicContact CD1-CB 4Å; L141-H145 WeakPolarHBondContact O-CB 3.22Å; L141-H145 PolarHBondContact O-N 2.71Å; H145-A147 PolarHBondContact O-N 2.67Å; H145-S148 PolarHBondContact O-N 2.82Å; H145-S148 VanDerWaalsContact O-N 3.13Å; H145-S148 PolarHBondContact O-OG 3.44Å; H145-C149 PolarHBondContact O-N 3.42Å; H145-C149 PolarHBondContact O-SG 2.76Å |
| 146 | R | 92.1 | Very high | 90.1 | Very high | 147 Ų | 147 | 53.8 Ų | 53.8 | 56% | 0.555 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -56 | -38.7 | 173.4 | -76.5 | 175.2 | -80.6 | 172.5 | -6.2 | 112 | L142 Q143 C149 | L142-R146 VanDerWaalsContact O-CG 3.3Å; L142-R146 WeakPolarHBondContact O-CG 3.44Å; L142-R146 PolarHBondContact O-N 3.43Å; L142-R146 VanDerWaalsContact O-N 3.14Å; L142-R146 PolarHBondContact O-NE 3.45Å; Q143-R146 PolarHBondContact O-N 3.24Å; R146-C149 PolarHBondContact O-N 2.96Å |
| 147 | A | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.5 | -51.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q143 L144 H145 C149 L150 Q156 M159 I160 | Q143-A147 PolarHBondContact O-N 3.36Å; L144-A147 WeakPolarHBondContact O-CA 3.14Å; L144-A147 WeakPolarHBondContact O-CB 3.47Å; L144-A147 PolarHBondContact O-N 3.5Å; L144-A147 VanDerWaalsContact O-N 3.1Å; H145-A147 PolarHBondContact O-N 2.67Å; A147-C149 PolarHBondContact O-N 3.24Å; A147-C149 VanDerWaalsContact O-N 3.14Å; A147-L150 PolarHBondContact O-N 3.42Å; A147-Q156 WeakPolarHBondContact O-CG 3.37Å; A147-M159 HydrophobicContact CB-CE 3.01Å; A147-I160 HydrophobicContact CB-CG1 4.47Å |
| 148 | S | 90 | Very high | 89.6 | Confident | 6 Ų | 6 | 52.5 Ų | 52.5 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -16.7 | -176.7 | 70.9 | 0 | 0 | 0 | 0 | 114 | L71 R72 L144 H145 | L71-S148 WeakPolarHBondContact CB-OG 3.47Å; R72-S148 WeakPolarHBondContact CG-O 3.39Å; R72-S148 PolarHBondContact N-OG 3.46Å; L144-S148 PolarHBondContact O-N 3.26Å; H145-S148 PolarHBondContact O-N 2.82Å; H145-S148 VanDerWaalsContact O-N 3.13Å; H145-S148 PolarHBondContact O-OG 3.44Å |
| 149 | C | 89.7 | Confident | 89.4 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -2.2 | -179.3 | -65.6 | 0 | 0 | 0 | 0 | 114.4 | H145 R146 A147 | H145-C149 PolarHBondContact O-N 3.42Å; H145-C149 PolarHBondContact O-SG 2.76Å; R146-C149 PolarHBondContact O-N 2.96Å; A147-C149 PolarHBondContact O-N 3.24Å; A147-C149 VanDerWaalsContact O-N 3.14Å |
| 150 | L | 89.4 | Confident | 89.3 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | trans | -66.2 | 144.8 | 176.1 | -63.1 | 170.4 | 0 | 0 | 0 | 110.8 | A147 D155 Q156 M159 | A147-L150 PolarHBondContact O-N 3.42Å; L150-D155 HydrophobicContact CB-CB 4.49Å; L150-D155 HydrophobicContact CD1-CB 4.03Å; L150-Q156 HydrophobicContact CB-CG 3.78Å; L150-Q156 PolarHBondContact O-NE2 3.25Å; L150-M159 HydrophobicContact CD1-CB 4.49Å; L150-M159 HydrophobicContact CD1-CE 4.33Å; L150-M159 HydrophobicContact CD1-SD 4.46Å | ||
| 151 | D | 84.4 | Confident | 89.1 | Confident | 160 Ų | 160 | 52.2 Ų | 52.2 | 86% | 0.856 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -74.9 | -35 | -173.8 | -67.8 | -43.2 | 0 | 0 | 0 | 113.4 | ||
| 152 | K | 85.5 | Confident | 88.8 | Confident | 123 Ų | 123 | 55 Ų | 55 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -95.7 | 132.6 | -178.6 | -63.8 | -177.6 | 179.7 | -179.3 | 0 | 111.3 | G154 D155 Q156 | K152-G154 VanDerWaalsContact C-N 3.28Å; K152-G154 PolarHBondContact O-N 3Å; K152-D155 HydrophobicContact CB-CB 4.34Å; K152-D155 PolarHBondContact O-N 3.33Å; K152-Q156 WeakPolarHBondContact O-CG 3.19Å; K152-Q156 PolarHBondContact O-N 3.24Å; K152-Q156 VanDerWaalsContact O-N 3.13Å |
| 153 | L | 82.7 | Confident | 88.6 | Confident | 78 Ų | 78 | 53.6 Ų | 53.6 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -34.7 | 178.7 | -173.7 | 64.4 | 0 | 0 | 0 | 112.4 | Q156 T157 I542 | L153-Q156 PolarHBondContact O-N 3.06Å; L153-T157 WeakPolarHBondContact O-CB 3.2Å; L153-T157 PolarHBondContact O-N 2.68Å; L153-T157 PolarHBondContact O-OG1 2.91Å; L153-I542 HydrophobicContact CD2-CG2 3.95Å; L153-I542 HydrophobicContact CG-CG2 4.38Å |
| 154 | G | 83.8 | Confident | 88.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.5 | -52.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | K152 T157 A158 N539 I542 | K152-G154 VanDerWaalsContact C-N 3.28Å; K152-G154 PolarHBondContact O-N 3Å; G154-T157 PolarHBondContact O-N 2.71Å; G154-A158 WeakPolarHBondContact O-CB 3.46Å; G154-A158 PolarHBondContact O-N 3.35Å; G154-N539 WeakPolarHBondContact CA-OD1 3.43Å; G154-N539 PolarHBondContact N-OD1 3.43Å; G154-I542 VanDerWaalsContact CA-CD1 3.5Å |
| 155 | D | 86.4 | Confident | 88.5 | Confident | 75 Ų | 75 | 54 Ų | 54 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | -177.1 | -58.5 | -19.3 | 0 | 0 | 0 | 111.3 | L150 K152 T157 M159 | L150-D155 HydrophobicContact CB-CB 4.49Å; L150-D155 HydrophobicContact CD1-CB 4.03Å; K152-D155 HydrophobicContact CB-CB 4.34Å; K152-D155 PolarHBondContact O-N 3.33Å; D155-T157 PolarHBondContact O-N 3.28Å; D155-M159 WeakPolarHBondContact O-CB 3.34Å; D155-M159 PolarHBondContact O-N 2.94Å |
| 156 | Q | 87.4 | Confident | 88.4 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56 | -51.8 | 173.2 | -66.5 | -177.1 | 20.3 | 0 | 0 | 111.1 | A147 L150 K152 L153 M159 I160 | A147-Q156 WeakPolarHBondContact O-CG 3.37Å; L150-Q156 HydrophobicContact CB-CG 3.78Å; L150-Q156 PolarHBondContact O-NE2 3.25Å; K152-Q156 WeakPolarHBondContact O-CG 3.19Å; K152-Q156 PolarHBondContact O-N 3.24Å; K152-Q156 VanDerWaalsContact O-N 3.13Å; L153-Q156 PolarHBondContact O-N 3.06Å; Q156-M159 PolarHBondContact O-N 2.84Å; Q156-I160 VanDerWaalsContact O-CG1 3.3Å; Q156-I160 WeakPolarHBondContact O-CG1 3.44Å; Q156-I160 PolarHBondContact O-N 2.72Å |
| 157 | T | 85.1 | Confident | 88.3 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.9 | -42.8 | -175.7 | -53.5 | 0 | 0 | 0 | 0 | 111.1 | L153 G154 D155 M159 I160 A161 I542 | L153-T157 WeakPolarHBondContact O-CB 3.2Å; L153-T157 PolarHBondContact O-N 2.68Å; L153-T157 PolarHBondContact O-OG1 2.91Å; G154-T157 PolarHBondContact O-N 2.71Å; D155-T157 PolarHBondContact O-N 3.28Å; T157-M159 VanDerWaalsContact C-N 3.33Å; T157-M159 PolarHBondContact O-N 2.83Å; T157-I160 PolarHBondContact O-N 3.35Å; T157-A161 WeakPolarHBondContact O-CB 3.4Å; T157-A161 PolarHBondContact O-N 3.18Å; T157-I542 HydrophobicContact CG2-CD1 3.97Å; T157-I542 HydrophobicContact CG2-CG1 4.42Å |
| 158 | A | 86.4 | Confident | 88.4 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G154 A161 A162 | G154-A158 WeakPolarHBondContact O-CB 3.46Å; G154-A158 PolarHBondContact O-N 3.35Å; A158-A161 PolarHBondContact O-N 3.13Å; A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 3.23Å |
| 159 | M | 89.1 | Confident | 88.5 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.6 | -37.5 | 178.4 | -161 | 171.7 | 76.8 | 0 | 0 | 112.3 | A147 L150 D155 Q156 T157 A162 N163 | A147-M159 HydrophobicContact CB-CE 3.01Å; L150-M159 HydrophobicContact CD1-CB 4.49Å; L150-M159 HydrophobicContact CD1-CE 4.33Å; L150-M159 HydrophobicContact CD1-SD 4.46Å; D155-M159 WeakPolarHBondContact O-CB 3.34Å; D155-M159 PolarHBondContact O-N 2.94Å; Q156-M159 PolarHBondContact O-N 2.84Å; T157-M159 VanDerWaalsContact C-N 3.33Å; T157-M159 PolarHBondContact O-N 2.83Å; M159-A162 PolarHBondContact O-N 2.95Å; M159-N163 PolarHBondContact O-N 3.38Å; M159-N163 PolarHBondContact O-ND2 2.91Å |
| 160 | I | 89.7 | Confident | 88.6 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 172.9 | -70.7 | 169.7 | 0 | 0 | 0 | 110.3 | Y24 K53 A147 Q156 T157 A162 N163 L164 | Y24-I160 HydrophobicContact CD2-CG2 3.63Å; Y24-I160 HydrophobicContact CE2-CG2 3.96Å; K53-I160 HydrophobicContact CD-CD1 4.45Å; K53-I160 HydrophobicContact CG-CD1 3.9Å; A147-I160 HydrophobicContact CB-CG1 4.47Å; Q156-I160 VanDerWaalsContact O-CG1 3.3Å; Q156-I160 WeakPolarHBondContact O-CG1 3.44Å; Q156-I160 PolarHBondContact O-N 2.72Å; T157-I160 PolarHBondContact O-N 3.35Å; I160-A162 PolarHBondContact O-N 3.45Å; I160-N163 WeakPolarHBondContact O-CB 3.46Å; I160-N163 PolarHBondContact O-N 3.48Å; I160-L164 PolarHBondContact O-N 3.09Å |
| 161 | A | 88.5 | Confident | 88.7 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | T157 A158 N163 L164 Q165 | T157-A161 WeakPolarHBondContact O-CB 3.4Å; T157-A161 PolarHBondContact O-N 3.18Å; A158-A161 PolarHBondContact O-N 3.13Å; A161-N163 VanDerWaalsContact C-N 3.35Å; A161-N163 PolarHBondContact O-N 3.25Å; A161-L164 PolarHBondContact O-N 2.61Å; A161-Q165 WeakPolarHBondContact O-CB 3.45Å; A161-Q165 PolarHBondContact O-N 2.68Å |
| 162 | A | 90.1 | Very high | 89.1 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 48% | 0.479 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A158 M159 I160 S166 | A158-A162 WeakPolarHBondContact O-CB 3.41Å; A158-A162 PolarHBondContact O-N 3.23Å; M159-A162 PolarHBondContact O-N 2.95Å; I160-A162 PolarHBondContact O-N 3.45Å; A162-S166 VanDerWaalsContact O-CB 3.31Å; A162-S166 WeakPolarHBondContact O-CB 3.17Å; A162-S166 PolarHBondContact O-N 2.85Å |
| 163 | N | 89.6 | Confident | 89.4 | Confident | 21 Ų | 21 | 52.8 Ų | 52.8 | 11% | 0.112 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 174.1 | -81.1 | -76.9 | 0 | 0 | 0 | 111.6 | Q143 M159 I160 A161 S166 R167 | Q143-N163 PolarHBondContact NE2-OD1 3.46Å; M159-N163 PolarHBondContact O-N 3.38Å; M159-N163 PolarHBondContact O-ND2 2.91Å; I160-N163 WeakPolarHBondContact O-CB 3.46Å; I160-N163 PolarHBondContact O-N 3.48Å; A161-N163 VanDerWaalsContact C-N 3.35Å; A161-N163 PolarHBondContact O-N 3.25Å; N163-S166 PolarHBondContact O-N 3.35Å; N163-R167 WeakPolarHBondContact O-CG 3.41Å; N163-R167 PolarHBondContact O-N 2.87Å |
| 164 | L | 92.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 175.7 | 175.1 | 61.3 | 0 | 0 | 0 | 111.1 | Y24 F26 I160 A161 S166 R167 L168 P201 L216 | Y24-L164 HydrophobicContact CD1-CD2 3.91Å; Y24-L164 HydrophobicContact CD2-CD2 4.23Å; Y24-L164 HydrophobicContact CE1-CD2 3.73Å; Y24-L164 HydrophobicContact CE2-CD2 4.11Å; Y24-L164 HydrophobicContact CG-CD2 4.15Å; F26-L164 HydrophobicContact CE1-CB 4.34Å; F26-L164 HydrophobicContact CE1-CD1 4.07Å; I160-L164 PolarHBondContact O-N 3.09Å; A161-L164 PolarHBondContact O-N 2.61Å; L164-S166 VanDerWaalsContact C-N 3.29Å; L164-S166 PolarHBondContact O-N 3.35Å; L164-R167 PolarHBondContact O-N 3.08Å; L164-L168 HydrophobicContact CD1-CD1 4.19Å; L164-L168 HydrophobicContact CD1-CG 4.33Å; L164-L168 HydrophobicContact CG-CD1 4.04Å; L164-L168 PolarHBondContact O-N 2.77Å; L164-P201 HydrophobicContact CD1-CB 3.76Å; L164-P201 HydrophobicContact CD1-CG 3.74Å; L164-P201 HydrophobicContact CD2-CB 4.33Å; L164-P201 HydrophobicContact CD2-CG 3.8Å; L164-P201 HydrophobicContact CG-CG 4.41Å; L164-L216 HydrophobicContact CD1-CD1 3.68Å |
| 165 | Q | 91.4 | Very high | 90.2 | Very high | 85 Ų | 85 | 58.1 Ų | 58.1 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 179.2 | -162.6 | 69.4 | 32.4 | 0 | 0 | 111.6 | A161 R167 L168 A169 E190 | A161-Q165 WeakPolarHBondContact O-CB 3.45Å; A161-Q165 PolarHBondContact O-N 2.68Å; Q165-R167 VanDerWaalsContact C-N 3.31Å; Q165-R167 PolarHBondContact O-N 2.83Å; Q165-L168 PolarHBondContact O-N 3.34Å; Q165-A169 VanDerWaalsContact O-CB 3.29Å; Q165-A169 WeakPolarHBondContact O-CB 3.44Å; Q165-A169 PolarHBondContact O-N 3.1Å; Q165-E190 PolarHBondContact NE2-OE2 3.1Å |
| 166 | S | 91.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 44% | 0.441 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 175.5 | -176 | 0 | 0 | 0 | 0 | 112.4 | A162 N163 L164 R170 | A162-S166 VanDerWaalsContact O-CB 3.31Å; A162-S166 WeakPolarHBondContact O-CB 3.17Å; A162-S166 PolarHBondContact O-N 2.85Å; N163-S166 PolarHBondContact O-N 3.35Å; L164-S166 VanDerWaalsContact C-N 3.29Å; L164-S166 PolarHBondContact O-N 3.35Å; S166-R170 WeakPolarHBondContact O-CD 3.24Å; S166-R170 WeakPolarHBondContact O-CG 3.5Å; S166-R170 PolarHBondContact O-N 2.74Å |
| 167 | R | 91.4 | Very high | 90.4 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 26% | 0.26 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.8 | -44.7 | 176.1 | -74.1 | -178.4 | 175.8 | -108.8 | 0.3 | 111.8 | E27 N163 L164 Q165 A169 R170 T171 | E27-R167 IonicContact OE2-CZ 2.77Å; E27-R167 IonicContact OE2-NH1 3.89Å; E27-R167 PolarHBondContact OE2-NH1 2.94Å; E27-R167 IonicContact OE2-NH2 3.29Å; N163-R167 WeakPolarHBondContact O-CG 3.41Å; N163-R167 PolarHBondContact O-N 2.87Å; L164-R167 PolarHBondContact O-N 3.08Å; Q165-R167 VanDerWaalsContact C-N 3.31Å; Q165-R167 PolarHBondContact O-N 2.83Å; R167-A169 PolarHBondContact O-N 2.95Å; R167-R170 PolarHBondContact O-N 2.83Å; R167-T171 PolarHBondContact O-N 3.02Å; R167-T171 PolarHBondContact O-OG1 3.11Å |
| 168 | L | 92.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.7 | -51.3 | 174.2 | -76.8 | 165.3 | 0 | 0 | 0 | 110.8 | L164 Q165 R170 T171 E190 H203 L216 Y264 | L164-L168 HydrophobicContact CD1-CD1 4.19Å; L164-L168 HydrophobicContact CD1-CG 4.33Å; L164-L168 HydrophobicContact CG-CD1 4.04Å; L164-L168 PolarHBondContact O-N 2.77Å; Q165-L168 PolarHBondContact O-N 3.34Å; L168-R170 PolarHBondContact O-N 3.32Å; L168-R170 VanDerWaalsContact O-N 3.1Å; L168-T171 PolarHBondContact O-N 3.14Å; L168-T171 PolarHBondContact O-OG1 2.97Å; L168-T171 VanDerWaalsContact O-OG1 3.07Å; L168-E190 HydrophobicContact CB-CG 4.16Å; L168-E190 HydrophobicContact CD2-CB 4.44Å; L168-E190 HydrophobicContact CD2-CG 4.3Å; L168-H203 PolarHBondContact O-CE1 2.99Å; L168-H203 PolarHBondContact O-NE2 3.2Å; L168-L216 HydrophobicContact CD2-CD1 3.66Å; L168-L216 HydrophobicContact CD2-CD2 3.91Å; L168-L216 HydrophobicContact CD2-CG 3.88Å; L168-L216 HydrophobicContact CG-CD1 3.85Å; L168-Y264 HydrophobicContact CD1-CE2 3.99Å |
| 169 | A | 92 | Very high | 90.6 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 61% | 0.612 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.3 | -17.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q165 R167 | Q165-A169 VanDerWaalsContact O-CB 3.29Å; Q165-A169 WeakPolarHBondContact O-CB 3.44Å; Q165-A169 PolarHBondContact O-N 3.1Å; R167-A169 PolarHBondContact O-N 2.95Å |
| 170 | R | 91.6 | Very high | 90.3 | Very high | 216 Ų | 216 | 66.3 Ų | 66.3 | 82% | 0.815 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -6.2 | 177.6 | -72.4 | 175 | 74.6 | 132.7 | 5.5 | 113.3 | S166 R167 L168 | S166-R170 WeakPolarHBondContact O-CD 3.24Å; S166-R170 WeakPolarHBondContact O-CG 3.5Å; S166-R170 PolarHBondContact O-N 2.74Å; R167-R170 PolarHBondContact O-N 2.83Å; L168-R170 PolarHBondContact O-N 3.32Å; L168-R170 VanDerWaalsContact O-N 3.1Å |
| 171 | T | 91.3 | Very high | 89.9 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | trans | -119.8 | 160.1 | -179.5 | 54 | 0 | 0 | 0 | 0 | 109.3 | R167 L168 H203 L216 | R167-T171 PolarHBondContact O-N 3.02Å; R167-T171 PolarHBondContact O-OG1 3.11Å; L168-T171 PolarHBondContact O-N 3.14Å; L168-T171 PolarHBondContact O-OG1 2.97Å; L168-T171 VanDerWaalsContact O-OG1 3.07Å; T171-H203 PolarHBondContact O-CE1 3.26Å; T171-H203 PolarHBondContact O-NE2 2.79Å; T171-H203 PolarHBondContact OG1-NE2 2.9Å; T171-L216 WeakPolarHBondContact OG1-CD2 3.21Å | ||
| 172 | S | 92.3 | Very high | 89.8 | Confident | 74 Ų | 74 | 74.3 Ų | 74.3 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | trans | -140.8 | 165.3 | 172.4 | 62.7 | 0 | 0 | 0 | 0 | 107.4 | D174 E188 | S172-D174 PolarHBondContact O-N 3.24Å; S172-E188 VanDerWaalsContact CA-OE1 3.29Å; S172-E188 WeakPolarHBondContact CA-OE1 3.19Å; S172-E188 VanDerWaalsContact CB-OE1 3.23Å; S172-E188 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 173 | F | 93.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.009 | 39% | 0.386 | C | S | . | . | trans | -54.9 | 132.2 | 171.2 | -174.4 | -90.1 | 0 | 0 | 0 | 110.5 | K175 F178 E188 H203 C205 Y212 Q214 V223 | F173-K175 PolarHBondContact O-N 3.13Å; F173-F178 AromaticContact CD1-CE1 3.84Å; F173-F178 HydrophobicContact CD1-CE1 3.84Å; F173-F178 HydrophobicContact CD1-CZ 4.19Å; F173-F178 AromaticContact CE1-CD1 3.69Å; F173-F178 HydrophobicContact CE1-CD1 3.69Å; F173-F178 AromaticContact CE1-CE1 3.25Å; F173-F178 HydrophobicContact CE1-CE1 3.25Å; F173-F178 HydrophobicContact CE1-CZ 4Å; F173-F178 HydrophobicContact CZ-CD1 4.33Å; F173-F178 HydrophobicContact CZ-CE1 4.1Å; F173-E188 HydrophobicContact CB-CG 4.14Å; F173-E188 PolarHBondContact N-OE1 2.82Å; F173-H203 HydrophobicContact CB-CB 4.25Å; F173-C205 HydrophobicContact CB-CB 4.03Å; F173-C205 HydrophobicContact CD1-CB 3.82Å; F173-C205 HydrophobicContact CD2-CB 3.7Å; F173-C205 HydrophobicContact CE1-CB 4.23Å; F173-C205 HydrophobicContact CE2-CB 4.12Å; F173-C205 HydrophobicContact CG-CB 3.54Å; F173-C205 HydrophobicContact CZ-CB 4.36Å; F173-Y212 VanDerWaalsContact CE2-CB 3.47Å; F173-Y212 HydrophobicContact CE2-CG 4.23Å; F173-Y212 HydrophobicContact CZ-CD1 4.1Å; F173-Y212 HydrophobicContact CZ-CD2 4.41Å; F173-Y212 AromaticContact CZ-CG 3.8Å; F173-Y212 HydrophobicContact CZ-CG 3.8Å; F173-Q214 HydrophobicContact CD2-CB 3.73Å; F173-Q214 HydrophobicContact CE2-CB 3.82Å; F173-V223 HydrophobicContact CE2-CG1 4.15Å; F173-V223 HydrophobicContact CZ-CG1 4.27Å | ||
| 174 | D | 91.8 | Very high | 89.9 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | trans | -79.4 | 103.4 | 176.9 | -177.7 | 4.9 | 0 | 0 | 0 | 109.7 | S172 N176 S177 | S172-D174 PolarHBondContact O-N 3.24Å; D174-N176 PolarHBondContact O-N 3.1Å; D174-N176 WeakPolarHBondContact OD1-CB 3.47Å; D174-N176 PolarHBondContact OD1-N 3.31Å; D174-N176 PolarHBondContact OD1-ND2 2.92Å; D174-S177 WeakPolarHBondContact O-CB 3.3Å; D174-S177 PolarHBondContact O-N 3.03Å; D174-S177 PolarHBondContact O-OG 3.01Å | ||
| 175 | K | 90 | Very high | 89.9 | Confident | 123 Ų | 123 | 78.7 Ų | 78.7 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -61.1 | -15.8 | -179.4 | -60.4 | -176.7 | -177.9 | -178.6 | 0 | 113.8 | F173 S177 F178 | F173-K175 PolarHBondContact O-N 3.13Å; K175-S177 PolarHBondContact O-N 2.81Å; K175-F178 HydrophobicContact CB-CD2 4.25Å; K175-F178 HydrophobicContact CB-CE2 3.82Å; K175-F178 HydrophobicContact CB-CZ 4.32Å; K175-F178 HydrophobicContact CG-CE2 3.99Å; K175-F178 HydrophobicContact CG-CZ 4.14Å; K175-F178 WeakPolarHBondContact O-CD2 3.18Å; K175-F178 WeakPolarHBondContact O-CG 3.43Å; K175-F178 PolarHBondContact O-N 3.19Å |
| 176 | N | 90 | Very high | 89.9 | Confident | 144 Ų | 144 | 79.8 Ų | 79.8 | 77% | 0.77 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -71.6 | -11.9 | 171.8 | -58.1 | -55.8 | 0 | 0 | 0 | 112.8 | D174 F178 | D174-N176 PolarHBondContact O-N 3.1Å; D174-N176 WeakPolarHBondContact OD1-CB 3.47Å; D174-N176 PolarHBondContact OD1-N 3.31Å; D174-N176 PolarHBondContact OD1-ND2 2.92Å; N176-F178 VanDerWaalsContact C-N 3.28Å |
| 177 | S | 87.9 | Confident | 90 | Very high | 39 Ų | 39 | 78.2 Ų | 78.2 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -81.4 | -5.7 | 177 | -50.6 | 0 | 0 | 0 | 0 | 113.4 | D174 K175 | D174-S177 WeakPolarHBondContact O-CB 3.3Å; D174-S177 PolarHBondContact O-N 3.03Å; D174-S177 PolarHBondContact O-OG 3.01Å; K175-S177 PolarHBondContact O-N 2.81Å |
| 178 | F | 91 | Very high | 90.2 | Very high | 32 Ų | 32 | 78.7 Ų | 78.7 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | trans | -63 | 138.9 | 172.9 | -63.2 | -30.2 | 0 | 0 | 0 | 110.4 | F173 K175 N176 N180 P185 T207 Y212 | F173-F178 AromaticContact CD1-CE1 3.84Å; F173-F178 HydrophobicContact CD1-CE1 3.84Å; F173-F178 HydrophobicContact CD1-CZ 4.19Å; F173-F178 AromaticContact CE1-CD1 3.69Å; F173-F178 HydrophobicContact CE1-CD1 3.69Å; F173-F178 AromaticContact CE1-CE1 3.25Å; F173-F178 HydrophobicContact CE1-CE1 3.25Å; F173-F178 HydrophobicContact CE1-CZ 4Å; F173-F178 HydrophobicContact CZ-CD1 4.33Å; F173-F178 HydrophobicContact CZ-CE1 4.1Å; K175-F178 HydrophobicContact CB-CD2 4.25Å; K175-F178 HydrophobicContact CB-CE2 3.82Å; K175-F178 HydrophobicContact CB-CZ 4.32Å; K175-F178 HydrophobicContact CG-CE2 3.99Å; K175-F178 HydrophobicContact CG-CZ 4.14Å; K175-F178 WeakPolarHBondContact O-CD2 3.18Å; K175-F178 WeakPolarHBondContact O-CG 3.43Å; K175-F178 PolarHBondContact O-N 3.19Å; N176-F178 VanDerWaalsContact C-N 3.28Å; F178-N180 VanDerWaalsContact C-N 3.31Å; F178-P185 HydrophobicContact CE2-CG 4.42Å; F178-P185 HydrophobicContact CZ-CB 4.09Å; F178-P185 HydrophobicContact CZ-CG 4.43Å; F178-T207 HydrophobicContact CD1-CG2 4.13Å; F178-T207 HydrophobicContact CE1-CG2 3.75Å; F178-T207 HydrophobicContact CZ-CG2 4.13Å; F178-Y212 HydrophobicContact CD1-CD2 4.23Å; F178-Y212 AromaticContact CD1-CE2 3.84Å; F178-Y212 HydrophobicContact CD1-CE2 3.84Å; F178-Y212 HydrophobicContact CE1-CD2 4.32Å; F178-Y212 HydrophobicContact CE1-CE2 4.29Å | ||
| 179 | Q | 85.8 | Confident | 90.4 | Very high | 128 Ų | 128 | 79.3 Ų | 79.3 | 60% | 0.598 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -69.8 | -36.4 | 179.6 | -164.5 | -167.2 | 24.5 | 0 | 0 | 110.8 | E183 Y212 | Q179-E183 PolarHBondContact N-OE1 2.95Å; Q179-E183 VanDerWaalsContact N-OE1 3.14Å; Q179-Y212 PolarHBondContact N-OH 2.93Å |
| 180 | N | 82.9 | Confident | 90.5 | Very high | 69 Ų | 69 | 77.9 Ų | 77.9 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | trans | -125.5 | 133 | 179.4 | -173.1 | -6.4 | 0 | 0 | 0 | 111.1 | F178 S182 E183 | F178-N180 VanDerWaalsContact C-N 3.31Å; N180-S182 PolarHBondContact ND2-OG 3.25Å; N180-S182 PolarHBondContact O-N 3.49Å; N180-S182 VanDerWaalsContact O-N 3.14Å; N180-S182 PolarHBondContact OD1-N 3.3Å; N180-S182 VanDerWaalsContact OD1-N 3.08Å; N180-S182 PolarHBondContact OD1-OG 3.39Å; N180-E183 HydrophobicContact CB-CG 4.15Å; N180-E183 PolarHBondContact N-OE1 2.96Å; N180-E183 WeakPolarHBondContact O-CB 3.49Å; N180-E183 WeakPolarHBondContact O-CG 3.42Å; N180-E183 PolarHBondContact O-N 2.88Å | ||
| 181 | V | 82 | Confident | 90.8 | Very high | 151 Ų | 151 | 67.6 Ų | 67.6 | 92% | 0.915 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.3 | 178.7 | -172 | 0 | 0 | 0 | 0 | 111.7 | E183 | V181-E183 VanDerWaalsContact C-N 3.34Š|
| 182 | S | 85.8 | Confident | 90.9 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 47% | 0.469 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -6.6 | 175.4 | 72.7 | 0 | 0 | 0 | 0 | 114.5 | N180 I184 | N180-S182 PolarHBondContact ND2-OG 3.25Å; N180-S182 PolarHBondContact O-N 3.49Å; N180-S182 VanDerWaalsContact O-N 3.14Å; N180-S182 PolarHBondContact OD1-N 3.3Å; N180-S182 VanDerWaalsContact OD1-N 3.08Å; N180-S182 PolarHBondContact OD1-OG 3.39Å; S182-I184 PolarHBondContact O-N 3.34Å |
| 183 | E | 91.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | trans | -64.2 | 133.7 | 176.4 | -73.1 | 179.8 | -114.3 | 0 | 0 | 110.6 | Q179 N180 V181 T207 D208 Q209 Y212 | Q179-E183 PolarHBondContact N-OE1 2.95Å; Q179-E183 VanDerWaalsContact N-OE1 3.14Å; N180-E183 HydrophobicContact CB-CG 4.15Å; N180-E183 PolarHBondContact N-OE1 2.96Å; N180-E183 WeakPolarHBondContact O-CB 3.49Å; N180-E183 WeakPolarHBondContact O-CG 3.42Å; N180-E183 PolarHBondContact O-N 2.88Å; V181-E183 VanDerWaalsContact C-N 3.34Å; E183-T207 HydrophobicContact CB-CG2 4.12Å; E183-T207 PolarHBondContact OE2-OG1 2.97Å; E183-D208 WeakPolarHBondContact CA-OD1 3.46Å; E183-Q209 HydrophobicContact CG-CB 4.18Å; E183-Q209 HydrophobicContact CG-CG 4.22Å; E183-Y212 PolarHBondContact OE1-OH 2.75Å; E183-Y212 VanDerWaalsContact OE2-CE2 3.27Å; E183-Y212 WeakPolarHBondContact OE2-CE2 3.38Å; E183-Y212 PolarHBondContact OE2-OH 2.73Å | ||
| 184 | I | 89.9 | Confident | 91.1 | Very high | 113 Ų | 113 | 62 Ų | 62 | 58% | 0.579 | 33% | 0.327 | S | S | * | . | trans | -104.9 | 113.5 | -178.9 | -59.9 | 169.5 | 0 | 0 | 0 | 107.8 | S182 H186 T207 D208 | S182-I184 PolarHBondContact O-N 3.34Å; I184-H186 PolarHBondContact O-N 2.75Å; I184-T207 VanDerWaalsContact O-CA 3.26Å; I184-T207 WeakPolarHBondContact O-CA 3.41Å; I184-D208 PolarHBondContact N-OD1 2.89Å; I184-D208 PolarHBondContact O-N 3.25Å | ||
| 185 | P | 92.6 | Very high | 91 | Very high | 56 Ų | 56 | 60.8 Ų | 60.8 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 128.2 | 176.2 | 27.2 | -32.8 | 0 | 0 | 0 | 110.2 | F178 | F178-P185 HydrophobicContact CE2-CG 4.42Å; F178-P185 HydrophobicContact CZ-CB 4.09Å; F178-P185 HydrophobicContact CZ-CG 4.43Å |
| 186 | H | 91.9 | Very high | 91 | Very high | 109 Ų | 109 | 55.5 Ų | 55.5 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -47.4 | 176.8 | 179.9 | 70.1 | 0 | 0 | 0 | 111.7 | I184 I206 Y275 | I184-H186 PolarHBondContact O-N 2.75Å; H186-I206 HydrophobicContact CB-CG2 4.02Å; H186-I206 PolarHBondContact N-O 3.1Å; H186-Y275 HydrophobicContact CB-CD2 4.49Å; H186-Y275 HydrophobicContact CB-CE1 4.03Å; H186-Y275 HydrophobicContact CB-CE2 3.88Å; H186-Y275 AromaticContact CD2-CD2 3.16Å; H186-Y275 WeakPolarHBondContact CD2-CD2 3.44Å; H186-Y275 AromaticContact CD2-CE2 3.36Å; H186-Y275 WeakPolarHBondContact CD2-CE2 3.39Å; H186-Y275 AromaticContact CD2-CG 3.53Å; H186-Y275 AromaticContact CD2-CZ 3.88Å; H186-Y275 AromaticContact CE1-CD2 3.72Å; H186-Y275 AromaticContact CE1-CE2 3.67Å; H186-Y275 AromaticContact CG-CD2 3.63Å; H186-Y275 AromaticContact CG-CE2 3.27Å; H186-Y275 AromaticContact CG-CZ 3.56Å; H186-Y275 AromaticContact ND1-CD2 3.95Å; H186-Y275 AromaticContact ND1-CE2 3.48Å; H186-Y275 WeakPolarHBondContact ND1-CE2 3.31Å; H186-Y275 AromaticContact NE2-CD2 3.23Å; H186-Y275 WeakPolarHBondContact NE2-CD2 3.48Å; H186-Y275 AromaticContact NE2-CE2 3.62Å; H186-Y275 AromaticContact NE2-CG 3.93Å |
| 187 | M | 93.6 | Very high | 91 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 15% | 0.148 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 153.8 | 178.9 | 94.1 | -165.7 | -89.4 | 0 | 0 | 111.9 | C205 I206 D268 D271 L272 | M187-C205 WeakPolarHBondContact O-CA 3.37Å; M187-I206 HydrophobicContact CB-CG2 4.19Å; M187-I206 HydrophobicContact CG-CG2 3.55Å; M187-I206 PolarHBondContact N-O 3.33Å; M187-I206 PolarHBondContact O-N 2.75Å; M187-I206 HydrophobicContact SD-CG2 4.02Å; M187-D268 WeakPolarHBondContact CE-O 3.29Å; M187-D271 HydrophobicContact CE-CB 3.79Å; M187-D271 HydrophobicContact SD-CB 4.41Å; M187-L272 HydrophobicContact CE-CB 3.98Å; M187-L272 HydrophobicContact CE-CD1 4.5Å; M187-L272 HydrophobicContact CG-CD1 4.14Å; M187-L272 VanDerWaalsContact SD-CA 3.52Å; M187-L272 HydrophobicContact SD-CB 3.72Å; M187-L272 HydrophobicContact SD-CD1 3.5Å; M187-L272 VanDerWaalsContact SD-CD1 3.5Å; M187-L272 HydrophobicContact SD-CG 4.23Å |
| 188 | E | 95.1 | Very high | 91.1 | Very high | 78 Ų | 78 | 50 Ų | 50 | 36% | 0.364 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 134 | 172.6 | -175.5 | -176.8 | 157.5 | 0 | 0 | 108.9 | S172 F173 V204 | S172-E188 VanDerWaalsContact CA-OE1 3.29Å; S172-E188 WeakPolarHBondContact CA-OE1 3.19Å; S172-E188 VanDerWaalsContact CB-OE1 3.23Å; S172-E188 WeakPolarHBondContact CB-OE1 3.47Å; F173-E188 HydrophobicContact CB-CG 4.14Å; F173-E188 PolarHBondContact N-OE1 2.82Å; E188-V204 VanDerWaalsContact CA-O 3.28Å; E188-V204 WeakPolarHBondContact CA-O 3.42Å |
| 189 | C | 95.3 | Very high | 91.1 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 10% | 0.095 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 161.6 | 177 | 63 | 0 | 0 | 0 | 0 | 112.3 | V204 D268 | C189-V204 PolarHBondContact N-O 3.3Å; C189-V204 PolarHBondContact O-N 2.59Å; C189-D268 HydrophobicContact CB-CB 4.22Å |
| 190 | E | 95.8 | Very high | 91.5 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 21% | 0.206 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.9 | 175.6 | -60.2 | 171.9 | 177.6 | 0 | 0 | 110.1 | Q165 L168 Y264 | Q165-E190 PolarHBondContact NE2-OE2 3.1Å; L168-E190 HydrophobicContact CB-CG 4.16Å; L168-E190 HydrophobicContact CD2-CB 4.44Å; L168-E190 HydrophobicContact CD2-CG 4.3Å; E190-Y264 HydrophobicContact CB-CD2 3.89Å; E190-Y264 HydrophobicContact CB-CE2 3.94Å |
| 191 | A | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 169.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | G202 V204 K262 F263 | A191-G202 PolarHBondContact N-O 3.46Å; A191-G202 CarbonylContact O-C 3.48Å; A191-G202 PolarHBondContact O-N 3.12Å; A191-V204 HydrophobicContact CB-CG2 3.58Å; A191-K262 CarbonylContact C-O 3.59Å; A191-K262 WeakPolarHBondContact CA-O 3.06Å; A191-K262 WeakPolarHBondContact CB-O 3.24Å; A191-F263 HydrophobicContact CB-CD1 4.05Å; A191-F263 HydrophobicContact CB-CE1 4.04Å; A191-F263 HydrophobicContact CB-CZ 4.48Å |
| 192 | E | 95.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.2 | 172.6 | -59.9 | 172.9 | -154.5 | 0 | 0 | 109.8 | V194 T199 N200 P201 L261 K262 Y264 | E192-V194 PolarHBondContact O-N 3.28Å; E192-T199 WeakPolarHBondContact OE2-CB 3.43Å; E192-T199 PolarHBondContact OE2-OG1 2.9Å; E192-N200 CarbonylContact C-O 3.55Å; E192-N200 WeakPolarHBondContact CA-O 3.09Å; E192-P201 HydrophobicContact CG-CB 4.17Å; E192-P201 HydrophobicContact CG-CG 4.15Å; E192-L261 CarbonylContact O-C 3.6Å; E192-L261 WeakPolarHBondContact O-CA 3.18Å; E192-K262 HydrophobicContact CB-CB 4.39Å; E192-K262 HydrophobicContact CB-CD 4.32Å; E192-K262 VanDerWaalsContact CD-NZ 3.31Å; E192-K262 PolarHBondContact N-O 3.3Å; E192-K262 PolarHBondContact O-N 2.83Å; E192-K262 IonicContact OE1-NZ 2.98Å; E192-K262 PolarHBondContact OE1-NZ 3.35Å; E192-K262 WeakPolarHBondContact OE2-CD 3.38Å; E192-K262 IonicContact OE2-NZ 3.76Å; E192-K262 PolarHBondContact OE2-NZ 3.03Å; E192-Y264 VanDerWaalsContact CG-OH 3.28Å; E192-Y264 WeakPolarHBondContact CG-OH 3.39Å; E192-Y264 VanDerWaalsContact OE1-CE1 3.3Å; E192-Y264 WeakPolarHBondContact OE1-CE1 3.37Å; E192-Y264 VanDerWaalsContact OE1-CZ 3.31Å; E192-Y264 PolarHBondContact OE1-OH 3.44Å |
| 193 | M | 94.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 9% | 0.094 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 122.5 | 168.4 | -179.7 | 178 | 67.2 | 0 | 0 | 109 | T199 N200 F213 V224 I259 Y260 L261 | M193-T199 CarbonylContact O-C 3.55Å; M193-T199 WeakPolarHBondContact O-CA 3.33Å; M193-N200 PolarHBondContact N-O 3.21Å; M193-N200 PolarHBondContact O-N 2.63Å; M193-F213 HydrophobicContact CB-CD1 3.9Å; M193-F213 HydrophobicContact CB-CE1 3.36Å; M193-F213 HydrophobicContact CB-CE2 4.16Å; M193-F213 HydrophobicContact CB-CG 4.49Å; M193-F213 HydrophobicContact CB-CZ 3.53Å; M193-F213 HydrophobicContact CE-CE1 4.22Å; M193-F213 HydrophobicContact CG-CD1 4.47Å; M193-F213 HydrophobicContact CG-CE1 4.29Å; M193-F213 HydrophobicContact SD-CD1 4Å; M193-F213 HydrophobicContact SD-CE1 4.1Å; M193-V224 HydrophobicContact SD-CG2 4.42Å; M193-I259 HydrophobicContact CG-CG1 4.35Å; M193-Y260 CarbonylContact C-O 3.34Å; M193-Y260 WeakPolarHBondContact CA-O 3.39Å; M193-L261 HydrophobicContact CB-CD2 4.49Å |
| 194 | V | 92.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.024 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.6 | -179.9 | -176.6 | 0 | 0 | 0 | 0 | 109 | E192 T199 Y260 K262 | E192-V194 PolarHBondContact O-N 3.28Å; V194-T199 HydrophobicContact CG2-CG2 4.18Å; V194-Y260 HydrophobicContact CB-CD1 3.71Å; V194-Y260 HydrophobicContact CB-CD2 4.33Å; V194-Y260 HydrophobicContact CB-CE1 4.17Å; V194-Y260 HydrophobicContact CB-CG 3.81Å; V194-Y260 HydrophobicContact CG1-CD1 3.73Å; V194-Y260 HydrophobicContact CG1-CE1 3.88Å; V194-Y260 HydrophobicContact CG1-CG 4.35Å; V194-Y260 HydrophobicContact CG2-CD1 4.39Å; V194-Y260 HydrophobicContact CG2-CD2 4.33Å; V194-Y260 HydrophobicContact CG2-CE2 4.38Å; V194-Y260 HydrophobicContact CG2-CG 4.31Å; V194-Y260 PolarHBondContact N-O 3.44Å; V194-K262 HydrophobicContact CG2-CB 3.54Å |
| 195 | T | 90.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 25.4 Ų | 25.4 | 27% | 0.27 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 164.5 | 169.1 | 56.5 | 0 | 0 | 0 | 0 | 108.7 | L197 V198 N319 | T195-L197 PolarHBondContact O-N 2.99Å; T195-L197 VanDerWaalsContact O-N 3.07Å; T195-V198 CarbonylContact C-O 3.53Å; T195-V198 PolarHBondContact N-O 3.21Å; T195-V198 PolarHBondContact O-N 3.32Å; T195-V198 WeakPolarHBondContact OG1-CG2 3.38Å; T195-V198 PolarHBondContact OG1-O 3.17Å; T195-N319 CarbonylContact C-O 3.58Å |
| 196 | P | 90.3 | Very high | 93.9 | Very high | 11 Ų | 11 | 22.8 Ų | 22.8 | 7% | 0.071 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 118.6 | -178.4 | -31.3 | 36.5 | 0 | 0 | 0 | 112.8 | F3 V198 N319 L321 | F3-P196 HydrophobicContact CD2-CB 3.98Å; F3-P196 HydrophobicContact CD2-CG 3.28Å; F3-P196 HydrophobicContact CE2-CB 3.65Å; F3-P196 HydrophobicContact CE2-CG 3.5Å; F3-P196 HydrophobicContact CG-CG 3.91Å; F3-P196 HydrophobicContact CZ-CB 4.14Å; F3-P196 HydrophobicContact CZ-CG 4.32Å; P196-V198 PolarHBondContact O-N 3.33Å; P196-N319 WeakPolarHBondContact CA-O 3.19Å; P196-N319 VanDerWaalsContact N-O 3.12Å; P196-L321 HydrophobicContact CB-CD1 4.17Å; P196-L321 HydrophobicContact CB-CD2 4.05Å; P196-L321 HydrophobicContact CB-CG 3.88Å |
| 197 | L | 89.1 | Confident | 94.1 | Very high | 47 Ų | 47 | 17.6 Ų | 17.6 | 25% | 0.246 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | -12.9 | -175.7 | -56.3 | 178.7 | 0 | 0 | 0 | 117.6 | L17 T195 L321 P386 L390 H400 C403 L404 | L17-L197 HydrophobicContact CD2-CB 4.41Å; T195-L197 PolarHBondContact O-N 2.99Å; T195-L197 VanDerWaalsContact O-N 3.07Å; L197-L321 HydrophobicContact CD1-CD1 4.47Å; L197-L321 HydrophobicContact CD2-CB 4.44Å; L197-L321 HydrophobicContact CD2-CD1 3.96Å; L197-L321 HydrophobicContact CG-CD1 3.85Å; L197-P386 HydrophobicContact CD2-CB 4.07Å; L197-L390 HydrophobicContact CD1-CD1 3.97Å; L197-H400 HydrophobicContact CD1-CB 4.09Å; L197-H400 WeakPolarHBondContact CD1-O 3.35Å; L197-C403 HydrophobicContact CD1-CB 4.07Å; L197-L404 HydrophobicContact CD1-CB 4.2Å; L197-L404 HydrophobicContact CD2-CD1 4.28Å |
| 198 | V | 89.7 | Confident | 94 | Very high | 22 Ų | 22 | 18.8 Ų | 18.8 | 13% | 0.133 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140.8 | -171.3 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | L16 L17 T195 P196 | L16-V198 HydrophobicContact CB-CB 4.29Å; L16-V198 HydrophobicContact CB-CG2 3.85Å; L17-V198 HydrophobicContact CD2-CG1 4.09Å; L17-V198 HydrophobicContact CD2-CG2 4.4Å; T195-V198 CarbonylContact C-O 3.53Å; T195-V198 PolarHBondContact N-O 3.21Å; T195-V198 PolarHBondContact O-N 3.32Å; T195-V198 WeakPolarHBondContact OG1-CG2 3.38Å; T195-V198 PolarHBondContact OG1-O 3.17Å; P196-V198 PolarHBondContact O-N 3.33Å |
| 199 | T | 91.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 18.3 Ų | 18.3 | 22% | 0.221 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.6 | 172.7 | 66.7 | 0 | 0 | 0 | 0 | 110.2 | E192 M193 V194 | E192-T199 WeakPolarHBondContact OE2-CB 3.43Å; E192-T199 PolarHBondContact OE2-OG1 2.9Å; M193-T199 CarbonylContact O-C 3.55Å; M193-T199 WeakPolarHBondContact O-CA 3.33Å; V194-T199 HydrophobicContact CG2-CG2 4.18Å |
| 200 | N | 93.9 | Very high | 93.8 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.011 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 113.4 | 179.3 | -164.3 | 14.3 | 0 | 0 | 0 | 110.2 | L16 E192 M193 F213 N217 Y219 | L16-N200 HydrophobicContact CD1-CB 3.74Å; E192-N200 CarbonylContact C-O 3.55Å; E192-N200 WeakPolarHBondContact CA-O 3.09Å; M193-N200 PolarHBondContact N-O 3.21Å; M193-N200 PolarHBondContact O-N 2.63Å; N200-F213 WeakPolarHBondContact O-CZ 3.43Å; N200-N217 PolarHBondContact ND2-OD1 2.99Å; N200-N217 PolarHBondContact OD1-ND2 3.1Å; N200-Y219 PolarHBondContact ND2-O 3.41Å |
| 201 | P | 95.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 3% | 0.026 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 146.5 | -179.2 | -19.2 | 31.5 | 0 | 0 | 0 | 113.8 | Y24 L164 E192 L216 | Y24-P201 HydrophobicContact CD1-CG 3.47Å; Y24-P201 VanDerWaalsContact CD1-CG 3.47Å; Y24-P201 HydrophobicContact CE1-CG 3.74Å; L164-P201 HydrophobicContact CD1-CB 3.76Å; L164-P201 HydrophobicContact CD1-CG 3.74Å; L164-P201 HydrophobicContact CD2-CB 4.33Å; L164-P201 HydrophobicContact CD2-CG 3.8Å; L164-P201 HydrophobicContact CG-CG 4.41Å; E192-P201 HydrophobicContact CG-CB 4.17Å; E192-P201 HydrophobicContact CG-CG 4.15Å; P201-L216 HydrophobicContact CB-CD1 3.97Å; P201-L216 PolarHBondContact O-N 2.73Å |
| 202 | G | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | -166.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A191 Q214 | A191-G202 PolarHBondContact N-O 3.46Å; A191-G202 CarbonylContact O-C 3.48Å; A191-G202 PolarHBondContact O-N 3.12Å; G202-Q214 CarbonylContact C-O 3.45Å; G202-Q214 WeakPolarHBondContact CA-O 3.06Å |
| 203 | H | 96 | Very high | 93.9 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.5 | 177 | -69.2 | -73.6 | 0 | 0 | 0 | 110.2 | L168 T171 F173 F213 Q214 | L168-H203 PolarHBondContact O-CE1 2.99Å; L168-H203 PolarHBondContact O-NE2 3.2Å; T171-H203 PolarHBondContact O-CE1 3.26Å; T171-H203 PolarHBondContact O-NE2 2.79Å; T171-H203 PolarHBondContact OG1-NE2 2.9Å; F173-H203 HydrophobicContact CB-CB 4.25Å; H203-F213 WeakPolarHBondContact O-CA 3.47Å; H203-Q214 PolarHBondContact N-O 3.19Å; H203-Q214 PolarHBondContact O-N 3.24Å |
| 204 | V | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.2 | 170 | 176.1 | 0 | 0 | 0 | 0 | 108 | E188 C189 A191 L211 Y212 F213 L261 L272 | E188-V204 VanDerWaalsContact CA-O 3.28Å; E188-V204 WeakPolarHBondContact CA-O 3.42Å; C189-V204 PolarHBondContact N-O 3.3Å; C189-V204 PolarHBondContact O-N 2.59Å; A191-V204 HydrophobicContact CB-CG2 3.58Å; V204-L211 HydrophobicContact CG1-CD1 3.63Å; V204-Y212 WeakPolarHBondContact CA-O 3.46Å; V204-F213 HydrophobicContact CG2-CD2 3.73Å; V204-F213 HydrophobicContact CG2-CE2 4.42Å; V204-L261 HydrophobicContact CG1-CD1 4.27Å; V204-L261 HydrophobicContact CG2-CD1 3.75Å; V204-L261 HydrophobicContact CG2-CD2 3.96Å; V204-L261 HydrophobicContact CG2-CG 4.42Å; V204-L272 HydrophobicContact CG1-CD1 4.18Å; V204-L272 HydrophobicContact CG1-CD2 3.88Å |
| 205 | C | 96 | Very high | 94 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.007 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.7 | 170.5 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | F173 M187 Y212 | F173-C205 HydrophobicContact CB-CB 4.03Å; F173-C205 HydrophobicContact CD1-CB 3.82Å; F173-C205 HydrophobicContact CD2-CB 3.7Å; F173-C205 HydrophobicContact CE1-CB 4.23Å; F173-C205 HydrophobicContact CE2-CB 4.12Å; F173-C205 HydrophobicContact CG-CB 3.54Å; F173-C205 HydrophobicContact CZ-CB 4.36Å; M187-C205 WeakPolarHBondContact O-CA 3.37Å; C205-Y212 PolarHBondContact N-O 3.16Å; C205-Y212 WeakPolarHBondContact O-CB 3.26Å; C205-Y212 PolarHBondContact O-N 2.84Å |
| 206 | I | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135 | 174.1 | -158.1 | 161.6 | 0 | 0 | 0 | 110.2 | H186 M187 L211 L228 L272 Y275 I276 | H186-I206 HydrophobicContact CB-CG2 4.02Å; H186-I206 PolarHBondContact N-O 3.1Å; M187-I206 HydrophobicContact CB-CG2 4.19Å; M187-I206 HydrophobicContact CG-CG2 3.55Å; M187-I206 PolarHBondContact N-O 3.33Å; M187-I206 PolarHBondContact O-N 2.75Å; M187-I206 HydrophobicContact SD-CG2 4.02Å; I206-L211 HydrophobicContact CB-CD1 4.4Å; I206-L211 HydrophobicContact CD1-CD1 4.27Å; I206-L211 HydrophobicContact CG1-CD1 4.4Å; I206-L228 HydrophobicContact CD1-CD2 4.05Å; I206-L228 HydrophobicContact CG1-CD1 4.39Å; I206-L228 HydrophobicContact CG1-CD2 4.36Å; I206-L272 HydrophobicContact CB-CD1 3.7Å; I206-L272 HydrophobicContact CD1-CD1 3.6Å; I206-L272 HydrophobicContact CD1-CG 4.43Å; I206-L272 HydrophobicContact CG1-CD1 4.25Å; I206-L272 HydrophobicContact CG2-CD1 3.84Å; I206-Y275 HydrophobicContact CB-CD1 4.48Å; I206-Y275 HydrophobicContact CD1-CD1 3.5Å; I206-Y275 VanDerWaalsContact CD1-CD1 3.5Å; I206-Y275 HydrophobicContact CD1-CE1 4.09Å; I206-Y275 HydrophobicContact CG1-CD1 3.82Å; I206-Y275 HydrophobicContact CG1-CE1 3.92Å; I206-Y275 HydrophobicContact CG2-CD1 3.8Å; I206-Y275 HydrophobicContact CG2-CE1 4Å; I206-Y275 HydrophobicContact CG2-CG 4.5Å; I206-I276 HydrophobicContact CD1-CD1 3.99Å; I206-I276 HydrophobicContact CD1-CG1 3.3Å |
| 207 | T | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 178.7 | 176.7 | 68.9 | 0 | 0 | 0 | 0 | 110.1 | F178 E183 I184 Q209 S210 Y212 L228 Y275 | F178-T207 HydrophobicContact CD1-CG2 4.13Å; F178-T207 HydrophobicContact CE1-CG2 3.75Å; F178-T207 HydrophobicContact CZ-CG2 4.13Å; E183-T207 HydrophobicContact CB-CG2 4.12Å; E183-T207 PolarHBondContact OE2-OG1 2.97Å; I184-T207 VanDerWaalsContact O-CA 3.26Å; I184-T207 WeakPolarHBondContact O-CA 3.41Å; T207-Q209 PolarHBondContact O-N 3.43Å; T207-Q209 VanDerWaalsContact O-N 3.14Å; T207-Q209 PolarHBondContact OG1-N 3.33Å; T207-S210 PolarHBondContact N-O 3.5Å; T207-S210 PolarHBondContact OG1-N 2.99Å; T207-S210 PolarHBondContact OG1-O 3.48Å; T207-Y212 HydrophobicContact CG2-CD2 4.24Å; T207-Y212 HydrophobicContact CG2-CE2 3.88Å; T207-L228 WeakPolarHBondContact O-CD1 3.32Å; T207-Y275 WeakPolarHBondContact O-CE1 3.47Å |
| 208 | D | 92.6 | Very high | 94 | Very high | 56 Ų | 56 | 16.3 Ų | 16.3 | 30% | 0.299 | 9% | 0.093 | S | C | . | . | S | Bend | trans | -64.3 | -6.1 | 169.2 | 64.5 | -41.7 | 0 | 0 | 0 | 114.1 | E183 I184 F279 | E183-D208 WeakPolarHBondContact CA-OD1 3.46Å; I184-D208 PolarHBondContact N-OD1 2.89Å; I184-D208 PolarHBondContact O-N 3.25Å; D208-F279 WeakPolarHBondContact O-CE1 3.26Å |
| 209 | Q | 92.3 | Very high | 93.9 | Very high | 67 Ų | 67 | 16.7 Ų | 16.7 | 31% | 0.313 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -128.2 | -35.2 | -176.3 | -60.6 | -176.3 | 16.3 | 0 | 0 | 114.5 | E183 T207 L228 | E183-Q209 HydrophobicContact CG-CB 4.18Å; E183-Q209 HydrophobicContact CG-CG 4.22Å; T207-Q209 PolarHBondContact O-N 3.43Å; T207-Q209 VanDerWaalsContact O-N 3.14Å; T207-Q209 PolarHBondContact OG1-N 3.33Å; Q209-L228 WeakPolarHBondContact O-CB 3.35Å; Q209-L228 WeakPolarHBondContact O-CG 3.4Å; Q209-L228 PolarHBondContact O-N 3.43Å |
| 210 | S | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 148.9 | -170.3 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | T207 Y212 R225 I226 | T207-S210 PolarHBondContact N-O 3.5Å; T207-S210 PolarHBondContact OG1-N 2.99Å; T207-S210 PolarHBondContact OG1-O 3.48Å; S210-Y212 VanDerWaalsContact CB-CE2 3.43Å; S210-R225 PolarHBondContact OG-NE 2.87Å; S210-R225 VanDerWaalsContact OG-NE 3.14Å; S210-R225 PolarHBondContact OG-NH2 3.47Å; S210-I226 CarbonylContact C-O 3.55Å; S210-I226 VanDerWaalsContact CA-O 3.28Å; S210-I226 WeakPolarHBondContact CA-O 3.44Å |
| 211 | L | 95.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126.2 | 163.3 | 172.2 | 66.9 | 0 | 0 | 0 | 108.8 | V204 I206 I226 L228 V248 I259 L272 I276 | V204-L211 HydrophobicContact CG1-CD1 3.63Å; I206-L211 HydrophobicContact CB-CD1 4.4Å; I206-L211 HydrophobicContact CD1-CD1 4.27Å; I206-L211 HydrophobicContact CG1-CD1 4.4Å; L211-I226 HydrophobicContact CB-CB 4.36Å; L211-I226 PolarHBondContact N-O 3.17Å; L211-I226 PolarHBondContact O-N 3.31Å; L211-L228 HydrophobicContact CB-CD2 4.2Å; L211-V248 HydrophobicContact CD2-CG2 4.15Å; L211-I259 HydrophobicContact CD2-CG2 4.19Å; L211-L272 HydrophobicContact CD1-CD1 4.07Å; L211-L272 HydrophobicContact CD1-CD2 4.18Å; L211-I276 HydrophobicContact CD2-CD1 4.13Å |
| 212 | Y | 96.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 143.1 | 177.1 | -61.8 | -91.1 | 0 | 0 | 0 | 111.3 | F173 F178 Q179 E183 V204 C205 T207 S210 V223 V224 R225 | F173-Y212 VanDerWaalsContact CE2-CB 3.47Å; F173-Y212 HydrophobicContact CE2-CG 4.23Å; F173-Y212 HydrophobicContact CZ-CD1 4.1Å; F173-Y212 HydrophobicContact CZ-CD2 4.41Å; F173-Y212 AromaticContact CZ-CG 3.8Å; F173-Y212 HydrophobicContact CZ-CG 3.8Å; F178-Y212 HydrophobicContact CD1-CD2 4.23Å; F178-Y212 AromaticContact CD1-CE2 3.84Å; F178-Y212 HydrophobicContact CD1-CE2 3.84Å; F178-Y212 HydrophobicContact CE1-CD2 4.32Å; F178-Y212 HydrophobicContact CE1-CE2 4.29Å; Q179-Y212 PolarHBondContact N-OH 2.93Å; E183-Y212 PolarHBondContact OE1-OH 2.75Å; E183-Y212 VanDerWaalsContact OE2-CE2 3.27Å; E183-Y212 WeakPolarHBondContact OE2-CE2 3.38Å; E183-Y212 PolarHBondContact OE2-OH 2.73Å; V204-Y212 WeakPolarHBondContact CA-O 3.46Å; C205-Y212 PolarHBondContact N-O 3.16Å; C205-Y212 WeakPolarHBondContact O-CB 3.26Å; C205-Y212 PolarHBondContact O-N 2.84Å; T207-Y212 HydrophobicContact CG2-CD2 4.24Å; T207-Y212 HydrophobicContact CG2-CE2 3.88Å; S210-Y212 VanDerWaalsContact CB-CE2 3.43Å; Y212-V223 HydrophobicContact CD1-CG1 3.75Å; Y212-V223 HydrophobicContact CG-CG1 4.47Å; Y212-V224 CarbonylContact C-O 3.58Å; Y212-V224 WeakPolarHBondContact CA-O 3.46Å; Y212-R225 HydrophobicContact CD1-CB 3.96Å; Y212-R225 HydrophobicContact CD1-CG 3.93Å; Y212-R225 HydrophobicContact CE1-CB 4Å; Y212-R225 HydrophobicContact CE1-CG 3.58Å |
| 213 | F | 96.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122.5 | 166.6 | 176.6 | -99.5 | 0 | 0 | 0 | 109.9 | M193 N200 H203 V204 P215 V223 V224 I259 L261 | M193-F213 HydrophobicContact CB-CD1 3.9Å; M193-F213 HydrophobicContact CB-CE1 3.36Å; M193-F213 HydrophobicContact CB-CE2 4.16Å; M193-F213 HydrophobicContact CB-CG 4.49Å; M193-F213 HydrophobicContact CB-CZ 3.53Å; M193-F213 HydrophobicContact CE-CE1 4.22Å; M193-F213 HydrophobicContact CG-CD1 4.47Å; M193-F213 HydrophobicContact CG-CE1 4.29Å; M193-F213 HydrophobicContact SD-CD1 4Å; M193-F213 HydrophobicContact SD-CE1 4.1Å; N200-F213 WeakPolarHBondContact O-CZ 3.43Å; H203-F213 WeakPolarHBondContact O-CA 3.47Å; V204-F213 HydrophobicContact CG2-CD2 3.73Å; V204-F213 HydrophobicContact CG2-CE2 4.42Å; F213-P215 HydrophobicContact CD1-CG 4.19Å; F213-P215 HydrophobicContact CE1-CB 4.22Å; F213-P215 HydrophobicContact CE1-CG 3.77Å; F213-V223 WeakPolarHBondContact O-CA 3.28Å; F213-V224 HydrophobicContact CB-CB 4.35Å; F213-V224 PolarHBondContact N-O 3.38Å; F213-V224 PolarHBondContact O-N 3.36Å; F213-I259 HydrophobicContact CB-CD1 3.64Å; F213-I259 HydrophobicContact CG-CD1 4.19Å; F213-L261 HydrophobicContact CB-CD2 4.45Å; F213-L261 HydrophobicContact CD2-CD2 3.67Å; F213-L261 HydrophobicContact CE2-CD2 4.17Å; F213-L261 HydrophobicContact CG-CD2 4.12Å |
| 214 | Q | 95.8 | Very high | 92.1 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 108.1 | 178.3 | 179.6 | 174.2 | -18.8 | 0 | 0 | 109.9 | F173 G202 H203 V223 | F173-Q214 HydrophobicContact CD2-CB 3.73Å; F173-Q214 HydrophobicContact CE2-CB 3.82Å; G202-Q214 CarbonylContact C-O 3.45Å; G202-Q214 WeakPolarHBondContact CA-O 3.06Å; H203-Q214 PolarHBondContact N-O 3.19Å; H203-Q214 PolarHBondContact O-N 3.24Å; Q214-V223 HydrophobicContact CB-CG2 4.12Å; Q214-V223 HydrophobicContact CG-CG2 4.05Å |
| 215 | P | 94.8 | Very high | 92 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 143.8 | 173.5 | -15.8 | 26.7 | 0 | 0 | 0 | 111.9 | F213 N217 G218 Y219 Q222 | F213-P215 HydrophobicContact CD1-CG 4.19Å; F213-P215 HydrophobicContact CE1-CB 4.22Å; F213-P215 HydrophobicContact CE1-CG 3.77Å; P215-N217 WeakPolarHBondContact CB-OD1 3.12Å; P215-N217 PolarHBondContact O-N 2.77Å; P215-G218 PolarHBondContact O-N 3.4Å; P215-Y219 WeakPolarHBondContact CB-O 3.25Å; P215-Y219 WeakPolarHBondContact CG-O 3.43Å; P215-Q222 WeakPolarHBondContact CD-O 3.19Å |
| 216 | L | 92.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 25% | 0.246 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -35.2 | 175.8 | -77.2 | 177.3 | 0 | 0 | 0 | 113.2 | L164 L168 T171 P201 | L164-L216 HydrophobicContact CD1-CD1 3.68Å; L168-L216 HydrophobicContact CD2-CD1 3.66Å; L168-L216 HydrophobicContact CD2-CD2 3.91Å; L168-L216 HydrophobicContact CD2-CG 3.88Å; L168-L216 HydrophobicContact CG-CD1 3.85Å; T171-L216 WeakPolarHBondContact OG1-CD2 3.21Å; P201-L216 HydrophobicContact CB-CD1 3.97Å; P201-L216 PolarHBondContact O-N 2.73Å |
| 217 | N | 90.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -2.5 | -175 | 54.3 | 26.9 | 0 | 0 | 0 | 113.5 | Y25 N200 P215 Y219 | Y25-N217 HydrophobicContact CD1-CB 3.66Å; Y25-N217 WeakPolarHBondContact CD1-ND2 3.38Å; Y25-N217 HydrophobicContact CE1-CB 3.67Å; Y25-N217 HydrophobicContact CG-CB 4.15Å; Y25-N217 WeakPolarHBondContact O-CB 3.41Å; Y25-N217 PolarHBondContact O-ND2 2.83Å; N200-N217 PolarHBondContact ND2-OD1 2.99Å; N200-N217 PolarHBondContact OD1-ND2 3.1Å; P215-N217 WeakPolarHBondContact CB-OD1 3.12Å; P215-N217 PolarHBondContact O-N 2.77Å; N217-Y219 VanDerWaalsContact C-N 3.25Å; N217-Y219 PolarHBondContact O-N 3.04Å; N217-Y219 PolarHBondContact OD1-N 3.16Å; N217-Y219 PolarHBondContact OD1-O 2.98Å |
| 218 | G | 86.6 | Confident | 91.5 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 34% | 0.34 | 20% | 0.198 | S | C | . | . | trans | 65.9 | 20 | -176 | 0 | 0 | 0 | 0 | 0 | 115.2 | P215 E221 | P215-G218 PolarHBondContact O-N 3.4Å; G218-E221 CarbonylContact O-C 3.53Å | ||
| 219 | Y | 87.5 | Confident | 91.3 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | trans | -116.5 | 146 | 178.5 | -178.9 | -84.2 | 0 | 0 | 0 | 110.8 | E12 F14 L16 Y25 N200 P215 N217 | E12-Y219 WeakPolarHBondContact OE2-CE2 3.49Å; F14-Y219 HydrophobicContact CD1-CD2 4.26Å; F14-Y219 AromaticContact CD1-CE2 3.93Å; F14-Y219 HydrophobicContact CD1-CE2 3.93Å; F14-Y219 HydrophobicContact CE1-CE2 4.47Å; F14-Y219 PolarHBondContact O-OH 2.65Å; F14-Y219 VanDerWaalsContact O-OH 3.08Å; L16-Y219 HydrophobicContact CD1-CD1 4.15Å; L16-Y219 HydrophobicContact CD1-CE1 4.34Å; L16-Y219 HydrophobicContact CD2-CD1 4.06Å; L16-Y219 HydrophobicContact CD2-CE1 4.42Å; L16-Y219 HydrophobicContact CG-CD1 3.83Å; L16-Y219 HydrophobicContact CG-CE1 3.81Å; Y25-Y219 HydrophobicContact CE1-CG 4.38Å; N200-Y219 PolarHBondContact ND2-O 3.41Å; P215-Y219 WeakPolarHBondContact CB-O 3.25Å; P215-Y219 WeakPolarHBondContact CG-O 3.43Å; N217-Y219 VanDerWaalsContact C-N 3.25Å; N217-Y219 PolarHBondContact O-N 3.04Å; N217-Y219 PolarHBondContact OD1-N 3.16Å; N217-Y219 PolarHBondContact OD1-O 2.98Å | ||
| 220 | P | 78.8 | Confident | 91.2 | Very high | 62 Ų | 62 | 45.4 Ų | 45.4 | 40% | 0.403 | 22% | 0.222 | S | C | . | . | S | Bend | cis | -76.6 | -21.6 | -4.9 | 31.5 | -35.2 | 0 | 0 | 0 | 113.4 | ||
| 221 | E | 84.9 | Confident | 91 | Very high | 87 Ų | 87 | 45.6 Ų | 45.6 | 41% | 0.407 | 22% | 0.223 | S | C | . | . | trans | -125.5 | 148.7 | 177.2 | -66.5 | 170.8 | -152.7 | 0 | 0 | 107.6 | K7 G218 V223 | K7-E221 IonicContact NZ-OE1 3.35Å; K7-E221 PolarHBondContact NZ-OE1 3.14Å; G218-E221 CarbonylContact O-C 3.53Å; E221-V223 VanDerWaalsContact C-N 3.27Å; E221-V223 PolarHBondContact O-N 2.94Å | ||
| 222 | Q | 87.8 | Confident | 90.5 | Very high | 162 Ų | 162 | 51 Ų | 51 | 76% | 0.757 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -60.2 | -39.8 | -178 | -72.9 | -167.4 | -10.3 | 0 | 0 | 112.1 | P215 | P215-Q222 WeakPolarHBondContact CD-O 3.19Š|
| 223 | V | 92.3 | Very high | 90 | Very high | 33 Ų | 33 | 53.8 Ų | 53.8 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | trans | -146.6 | 129 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | F173 Y212 F213 Q214 E221 | F173-V223 HydrophobicContact CE2-CG1 4.15Å; F173-V223 HydrophobicContact CZ-CG1 4.27Å; Y212-V223 HydrophobicContact CD1-CG1 3.75Å; Y212-V223 HydrophobicContact CG-CG1 4.47Å; F213-V223 WeakPolarHBondContact O-CA 3.28Å; Q214-V223 HydrophobicContact CB-CG2 4.12Å; Q214-V223 HydrophobicContact CG-CG2 4.05Å; E221-V223 VanDerWaalsContact C-N 3.27Å; E221-V223 PolarHBondContact O-N 2.94Å | ||
| 224 | V | 92.4 | Very high | 89.6 | Confident | 23 Ų | 23 | 54.1 Ų | 54.1 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.9 | 170.3 | -179.4 | 0 | 0 | 0 | 0 | 108 | M193 Y212 F213 I259 | M193-V224 HydrophobicContact SD-CG2 4.42Å; Y212-V224 CarbonylContact C-O 3.58Å; Y212-V224 WeakPolarHBondContact CA-O 3.46Å; F213-V224 HydrophobicContact CB-CB 4.35Å; F213-V224 PolarHBondContact N-O 3.38Å; F213-V224 PolarHBondContact O-N 3.36Å; V224-I259 HydrophobicContact CG1-CD1 4.27Å |
| 225 | R | 93.3 | Very high | 89.2 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 31% | 0.306 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.7 | -177 | 179 | -175.5 | 166.8 | -127.6 | -10.8 | 111.3 | S210 Y212 E227 | S210-R225 PolarHBondContact OG-NE 2.87Å; S210-R225 VanDerWaalsContact OG-NE 3.14Å; S210-R225 PolarHBondContact OG-NH2 3.47Å; Y212-R225 HydrophobicContact CD1-CB 3.96Å; Y212-R225 HydrophobicContact CD1-CG 3.93Å; Y212-R225 HydrophobicContact CE1-CB 4Å; Y212-R225 HydrophobicContact CE1-CG 3.58Å; R225-E227 IonicContact CZ-OE1 2.92Å; R225-E227 IonicContact NH1-OE1 3.53Å; R225-E227 PolarHBondContact NH1-OE1 3.08Å; R225-E227 IonicContact NH2-OE1 3.77Å; R225-E227 PolarHBondContact NH2-OE1 2.97Å |
| 226 | I | 93.3 | Very high | 89.1 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.4 | 171.4 | -64.8 | 180 | 0 | 0 | 0 | 108.9 | S210 L211 V231 V248 C250 D258 I259 | S210-I226 CarbonylContact C-O 3.55Å; S210-I226 VanDerWaalsContact CA-O 3.28Å; S210-I226 WeakPolarHBondContact CA-O 3.44Å; L211-I226 HydrophobicContact CB-CB 4.36Å; L211-I226 PolarHBondContact N-O 3.17Å; L211-I226 PolarHBondContact O-N 3.31Å; I226-V231 HydrophobicContact CG2-CG2 3.77Å; I226-V248 HydrophobicContact CD1-CG1 4.4Å; I226-V248 HydrophobicContact CG2-CG1 4.48Å; I226-C250 VanDerWaalsContact CG2-SG 3.57Å; I226-D258 HydrophobicContact CD1-CB 3.92Å; I226-I259 HydrophobicContact CD1-CB 3.73Å; I226-I259 HydrophobicContact CD1-CG2 3.32Å |
| 227 | E | 92.3 | Very high | 89 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 22% | 0.224 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.7 | 172.8 | -76.2 | 168.5 | 174.4 | 0 | 0 | 110.3 | R225 H229 R230 V231 | R225-E227 IonicContact CZ-OE1 2.92Å; R225-E227 IonicContact NH1-OE1 3.53Å; R225-E227 PolarHBondContact NH1-OE1 3.08Å; R225-E227 IonicContact NH2-OE1 3.77Å; R225-E227 PolarHBondContact NH2-OE1 2.97Å; E227-H229 VanDerWaalsContact C-N 3.29Å; E227-H229 PolarHBondContact O-N 3.13Å; E227-H229 IonicContact OE2-CE1 3.95Å; E227-H229 PolarHBondContact OE2-CE1 3.39Å; E227-H229 IonicContact OE2-NE2 3.56Å; E227-H229 PolarHBondContact OE2-NE2 3.03Å; E227-R230 HydrophobicContact CB-CB 4.24Å; E227-R230 HydrophobicContact CB-CG 3.9Å; E227-R230 WeakPolarHBondContact O-CB 3.12Å; E227-R230 PolarHBondContact O-N 3.43Å; E227-R230 WeakPolarHBondContact OE2-CD 3.3Å; E227-V231 PolarHBondContact O-N 3.19Å |
| 228 | L | 91.3 | Very high | 89 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -61.6 | -37.2 | -175.6 | -67.7 | 179 | 0 | 0 | 0 | 112.3 | I206 T207 Q209 L211 R230 V231 Y275 I276 F279 | I206-L228 HydrophobicContact CD1-CD2 4.05Å; I206-L228 HydrophobicContact CG1-CD1 4.39Å; I206-L228 HydrophobicContact CG1-CD2 4.36Å; T207-L228 WeakPolarHBondContact O-CD1 3.32Å; Q209-L228 WeakPolarHBondContact O-CB 3.35Å; Q209-L228 WeakPolarHBondContact O-CG 3.4Å; Q209-L228 PolarHBondContact O-N 3.43Å; L211-L228 HydrophobicContact CB-CD2 4.2Å; L228-R230 PolarHBondContact O-N 3.14Å; L228-V231 WeakPolarHBondContact O-CB 3.16Å; L228-V231 WeakPolarHBondContact O-CG2 3.46Å; L228-V231 PolarHBondContact O-N 3.13Å; L228-V231 VanDerWaalsContact O-N 3.1Å; L228-Y275 HydrophobicContact CD1-CE1 4.41Å; L228-I276 HydrophobicContact CD2-CG1 4.16Å; L228-I276 HydrophobicContact CD2-CG2 4.42Å; L228-F279 HydrophobicContact CB-CB 4.39Å; L228-F279 HydrophobicContact CB-CD1 4.48Å; L228-F279 HydrophobicContact CB-CG 4.32Å; L228-F279 HydrophobicContact CD1-CD1 4.32Å; L228-F279 HydrophobicContact CD1-CD2 3.92Å; L228-F279 HydrophobicContact CD1-CE1 4.28Å; L228-F279 HydrophobicContact CD1-CE2 3.91Å; L228-F279 HydrophobicContact CD1-CG 4.14Å; L228-F279 HydrophobicContact CD1-CZ 4.08Å |
| 229 | H | 88.3 | Confident | 89.1 | Confident | 133 Ų | 133 | 53.1 Ų | 53.1 | 62% | 0.616 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -67.6 | -15.9 | 176.6 | 69.1 | 81.2 | 0 | 0 | 0 | 114 | E227 | E227-H229 VanDerWaalsContact C-N 3.29Å; E227-H229 PolarHBondContact O-N 3.13Å; E227-H229 IonicContact OE2-CE1 3.95Å; E227-H229 PolarHBondContact OE2-CE1 3.39Å; E227-H229 IonicContact OE2-NE2 3.56Å; E227-H229 PolarHBondContact OE2-NE2 3.03Å |
| 230 | R | 89.8 | Confident | 89.1 | Confident | 134 Ų | 134 | 52 Ų | 52 | 51% | 0.506 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -87.3 | -19 | 174.6 | -68.1 | -174.9 | 60.2 | -170.9 | -3.9 | 112.2 | E227 L228 K232 C250 | E227-R230 HydrophobicContact CB-CB 4.24Å; E227-R230 HydrophobicContact CB-CG 3.9Å; E227-R230 WeakPolarHBondContact O-CB 3.12Å; E227-R230 PolarHBondContact O-N 3.43Å; E227-R230 WeakPolarHBondContact OE2-CD 3.3Å; L228-R230 PolarHBondContact O-N 3.14Å; R230-K232 PolarHBondContact O-N 3.4Å; R230-C250 HydrophobicContact CB-CB 4.31Å; R230-C250 WeakPolarHBondContact O-CA 3.26Å; R230-C250 WeakPolarHBondContact O-CB 3.41Å |
| 231 | V | 89.7 | Confident | 89.4 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | trans | -61.3 | 135 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | I226 E227 L228 I234 V248 I276 L280 | I226-V231 HydrophobicContact CG2-CG2 3.77Å; E227-V231 PolarHBondContact O-N 3.19Å; L228-V231 WeakPolarHBondContact O-CB 3.16Å; L228-V231 WeakPolarHBondContact O-CG2 3.46Å; L228-V231 PolarHBondContact O-N 3.13Å; L228-V231 VanDerWaalsContact O-N 3.1Å; V231-I234 HydrophobicContact CG1-CG2 3.68Å; V231-V248 HydrophobicContact CB-CG1 4.38Å; V231-V248 HydrophobicContact CG1-CG1 3.66Å; V231-V248 HydrophobicContact CG2-CG1 3.79Å; V231-I276 HydrophobicContact CG1-CG2 4.17Å; V231-L280 HydrophobicContact CB-CD2 4.14Å; V231-L280 HydrophobicContact CG1-CD1 3.95Å; V231-L280 HydrophobicContact CG1-CD2 4.02Å; V231-L280 HydrophobicContact CG1-CG 4.4Å; V231-L280 WeakPolarHBondContact O-CD2 3.36Å | ||
| 232 | K | 84.9 | Confident | 89.5 | Confident | 115 Ų | 115 | 50 Ų | 50 | 50% | 0.5 | 22% | 0.224 | S | C | . | . | trans | -116.2 | -34.3 | 176.8 | -62.8 | -60.1 | 178.1 | -171.1 | 0 | 111.6 | R230 F249 C250 E252 | R230-K232 PolarHBondContact O-N 3.4Å; K232-F249 PolarHBondContact N-O 3.29Å; K232-C250 WeakPolarHBondContact CG-O 3.46Å; K232-E252 HydrophobicContact CB-CG 4.22Å; K232-E252 HydrophobicContact CG-CG 4.37Å | ||
| 233 | Q | 85.5 | Confident | 89.7 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 29% | 0.285 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 144.1 | -177.3 | -164.6 | 164.6 | 23.2 | 0 | 0 | 111.1 | Y235 F249 | Q233-Y235 VanDerWaalsContact CD-CZ 3.45Å; Q233-Y235 VanDerWaalsContact CD-OH 3.31Å; Q233-Y235 HydrophobicContact CG-CD2 4.11Å; Q233-Y235 HydrophobicContact CG-CE2 3.58Å; Q233-Y235 PolarHBondContact NE2-OH 3.25Å; Q233-F249 HydrophobicContact CB-CB 4.19Å; Q233-F249 PolarHBondContact N-O 3.49Å; Q233-F249 VanDerWaalsContact N-O 3.11Å; Q233-F249 PolarHBondContact O-N 2.99Å |
| 234 | I | 88.6 | Confident | 89.7 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.041 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.4 | 172.5 | 58.4 | 175.4 | 0 | 0 | 0 | 109.7 | V231 E247 V248 Y273 I276 A277 L280 H283 | V231-I234 HydrophobicContact CG1-CG2 3.68Å; I234-E247 CarbonylContact C-O 3.5Å; I234-E247 VanDerWaalsContact CA-O 3.27Å; I234-E247 WeakPolarHBondContact CA-O 3.5Å; I234-V248 HydrophobicContact CG2-CB 4.25Å; I234-V248 HydrophobicContact CG2-CG1 4Å; I234-V248 HydrophobicContact CG2-CG2 3.98Å; I234-Y273 HydrophobicContact CD1-CD2 3.52Å; I234-Y273 HydrophobicContact CD1-CE2 3.6Å; I234-Y273 HydrophobicContact CD1-CG 4.11Å; I234-Y273 HydrophobicContact CG1-CD2 3.99Å; I234-Y273 HydrophobicContact CG1-CE2 3.67Å; I234-I276 HydrophobicContact CD1-CB 4.07Å; I234-I276 HydrophobicContact CD1-CG2 4.03Å; I234-I276 HydrophobicContact CG2-CG2 3.84Å; I234-A277 HydrophobicContact CD1-CB 4.18Å; I234-L280 HydrophobicContact CD1-CD1 4.21Å; I234-L280 HydrophobicContact CG1-CD1 4.06Å; I234-L280 HydrophobicContact CG2-CD1 4.24Å; I234-H283 VanDerWaalsContact CD1-NE2 3.31Å; I234-H283 WeakPolarHBondContact CD1-NE2 3.44Å; I234-H283 WeakPolarHBondContact CG1-NE2 3.38Å |
| 235 | Y | 88.6 | Confident | 89.8 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.8 | 178.9 | -72 | -81.8 | 0 | 0 | 0 | 110.5 | Q233 L246 E247 F249 N312 L313 | Q233-Y235 VanDerWaalsContact CD-CZ 3.45Å; Q233-Y235 VanDerWaalsContact CD-OH 3.31Å; Q233-Y235 HydrophobicContact CG-CD2 4.11Å; Q233-Y235 HydrophobicContact CG-CE2 3.58Å; Q233-Y235 PolarHBondContact NE2-OH 3.25Å; Y235-L246 WeakPolarHBondContact O-CA 3.4Å; Y235-E247 PolarHBondContact N-O 2.92Å; Y235-E247 PolarHBondContact O-N 2.72Å; Y235-F249 AromaticContact CD2-CD2 3.88Å; Y235-F249 HydrophobicContact CD2-CD2 3.88Å; Y235-F249 AromaticContact CD2-CE2 3.54Å; Y235-F249 HydrophobicContact CD2-CE2 3.54Å; Y235-F249 HydrophobicContact CD2-CZ 4.44Å; Y235-F249 HydrophobicContact CE2-CD2 4.21Å; Y235-F249 AromaticContact CE2-CE2 3.99Å; Y235-F249 HydrophobicContact CE2-CE2 3.99Å; Y235-N312 HydrophobicContact CE1-CB 4.33Å; Y235-L313 HydrophobicContact CE1-CD2 4.4Å |
| 236 | K | 90.9 | Very high | 89.9 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 29% | 0.291 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 128.4 | 161.3 | -64.5 | 174.1 | 163.1 | 172.7 | 0 | 106.7 | Y273 Y274 | K236-Y273 HydrophobicContact CD-CD1 4.47Å; K236-Y273 HydrophobicContact CD-CD2 4.22Å; K236-Y273 HydrophobicContact CD-CE1 4.36Å; K236-Y273 HydrophobicContact CD-CE2 4.09Å; K236-Y273 HydrophobicContact CD-CG 4.4Å; K236-Y273 VanDerWaalsContact CE-CE1 3.44Å; K236-Y273 VanDerWaalsContact CE-CG 3.46Å; K236-Y273 HydrophobicContact CG-CD2 3.59Å; K236-Y273 HydrophobicContact CG-CE2 3.63Å; K236-Y273 HydrophobicContact CG-CG 4.13Å; K236-Y274 PolarHBondContact NZ-OH 3.29Å |
| 237 | R | 91.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 154.2 | -177.4 | -61.5 | -59.9 | -167.5 | -175.1 | 5.2 | 111.6 | G245 E247 Y260 N312 D315 R316 | R237-G245 PolarHBondContact N-O 3.19Å; R237-G245 VanDerWaalsContact O-CA 3.3Å; R237-G245 WeakPolarHBondContact O-CA 3.44Å; R237-G245 PolarHBondContact O-N 3.41Å; R237-E247 HydrophobicContact CG-CB 3.78Å; R237-E247 IonicContact CZ-OE2 3.67Å; R237-E247 VanDerWaalsContact CZ-OE2 3.23Å; R237-E247 IonicContact NE-OE2 3.94Å; R237-E247 PolarHBondContact NE-OE2 3.02Å; R237-E247 IonicContact NH2-OE2 2.68Å; R237-E247 PolarHBondContact NH2-OE2 3.26Å; R237-Y260 HydrophobicContact CB-CE2 3.96Å; R237-Y260 HydrophobicContact CG-CE2 4.19Å; R237-N312 PolarHBondContact NH1-O 3.07Å; R237-N312 PolarHBondContact NH2-OD1 3.23Å; R237-D315 WeakPolarHBondContact CA-OD1 3.41Å; R237-R316 PolarHBondContact NH2-O 3.09Å |
| 238 | R | 91.1 | Very high | 89.9 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 147.5 | 160.4 | -65 | 173.3 | -59 | 158.5 | 21.5 | 110.1 | R242 Y260 D315 Q323 E527 T554 T556 | R238-R242 CarbonylContact C-O 3.58Å; R238-R242 WeakPolarHBondContact CA-O 3.3Å; R238-Y260 PolarHBondContact O-OH 3.24Å; R238-D315 HydrophobicContact CB-CB 4.37Å; R238-D315 WeakPolarHBondContact CD-OD2 3.49Å; R238-D315 WeakPolarHBondContact CG-OD2 3.36Å; R238-D315 IonicContact CZ-OD2 3.56Å; R238-D315 IonicContact NE-OD2 2.78Å; R238-D315 PolarHBondContact NE-OD2 3.14Å; R238-D315 IonicContact NH2-OD2 3.62Å; R238-Q323 PolarHBondContact O-NE2 2.89Å; R238-Q323 PolarHBondContact O-OE1 3.25Å; R238-E527 IonicContact CZ-OE2 3.83Å; R238-E527 IonicContact NE-OE2 2.66Å; R238-E527 IonicContact NH1-OE2 3.33Å; R238-E527 PolarHBondContact NH1-OE2 3.02Å; R238-T554 PolarHBondContact NH2-O 3.24Å; R238-T556 PolarHBondContact NE-OG1 3.1Å; R238-T556 PolarHBondContact NH1-OG1 3.32Å; R238-T556 VanDerWaalsContact NH2-N 3.14Å; R238-T556 PolarHBondContact NH2-OG1 2.96Å |
| 239 | H | 89.3 | Confident | 89.8 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 119.2 | 168.7 | -172.9 | 80.9 | 0 | 0 | 0 | 108.7 | L241 R242 D320 | H239-L241 VanDerWaalsContact C-N 3.34Å; H239-R242 PolarHBondContact N-O 3.15Å; H239-R242 PolarHBondContact O-N 3.41Å; H239-D320 IonicContact ND1-OD2 2.59Å |
| 240 | G | 85.8 | Confident | 89.8 | Confident | 7 Ų | 7 | 31 Ų | 31 | 7% | 0.072 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 48.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R242 | G240-R242 PolarHBondContact O-N 3.38Å; G240-R242 VanDerWaalsContact O-N 3.09Å |
| 241 | L | 86.2 | Confident | 89.2 | Confident | 24 Ų | 24 | 28.1 Ų | 28.1 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 16.1 | -177.3 | -58.1 | 175.5 | 0 | 0 | 0 | 116.2 | H239 L524 I548 Q553 | H239-L241 VanDerWaalsContact C-N 3.34Å; L241-L524 WeakPolarHBondContact CD1-O 3.4Å; L241-I548 HydrophobicContact CD1-CD1 4.25Å; L241-I548 HydrophobicContact CD1-CG1 4.25Å; L241-I548 HydrophobicContact CD1-CG2 3.9Å; L241-I548 HydrophobicContact CG-CG2 3.89Å; L241-Q553 HydrophobicContact CD2-CB 4Å; L241-Q553 HydrophobicContact CD2-CG 3.95Å; L241-Q553 HydrophobicContact CG-CG 4.14Å |
| 242 | R | 87 | Confident | 88.1 | Confident | 83 Ų | 83 | 34.3 Ų | 34.3 | 31% | 0.313 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.4 | 176.7 | -68.3 | -177.7 | -71.1 | 176.7 | -1.7 | 111.5 | R238 H239 G240 L244 | R238-R242 CarbonylContact C-O 3.58Å; R238-R242 WeakPolarHBondContact CA-O 3.3Å; H239-R242 PolarHBondContact N-O 3.15Å; H239-R242 PolarHBondContact O-N 3.41Å; G240-R242 PolarHBondContact O-N 3.38Å; G240-R242 VanDerWaalsContact O-N 3.09Å; R242-L244 HydrophobicContact CB-CD1 3.92Å; R242-L244 HydrophobicContact CB-CG 3.97Å; R242-L244 PolarHBondContact O-N 3.1Å |
| 243 | P | 91 | Very high | 87.2 | Confident | 58 Ų | 58 | 34.2 Ų | 34.2 | 38% | 0.377 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 56.7 | -173.2 | 35.7 | -39.5 | 0 | 0 | 0 | 112.6 | R269 | P243-R269 PolarHBondContact O-NE 2.81Å; P243-R269 PolarHBondContact O-NH2 3.28Å |
| 244 | L | 93.1 | Very high | 86.3 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -4 | -171.6 | -65.5 | 177.3 | 0 | 0 | 0 | 113.7 | R242 F263 | R242-L244 HydrophobicContact CB-CD1 3.92Å; R242-L244 HydrophobicContact CB-CG 3.97Å; R242-L244 PolarHBondContact O-N 3.1Å; L244-F263 WeakPolarHBondContact O-CD2 3.24Å; L244-F263 PolarHBondContact O-N 3.13Å |
| 245 | G | 94.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R237 L261 | R237-G245 PolarHBondContact N-O 3.19Å; R237-G245 VanDerWaalsContact O-CA 3.3Å; R237-G245 WeakPolarHBondContact O-CA 3.44Å; R237-G245 PolarHBondContact O-N 3.41Å; G245-L261 CarbonylContact C-O 3.17Å; G245-L261 WeakPolarHBondContact CA-O 3.19Å |
| 246 | L | 95.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 127.2 | 166.2 | -177.9 | 65.6 | 0 | 0 | 0 | 109.4 | Y235 V248 Y260 L261 F263 R269 L272 Y273 I276 | Y235-L246 WeakPolarHBondContact O-CA 3.4Å; L246-V248 HydrophobicContact CG-CG2 4.38Å; L246-Y260 WeakPolarHBondContact O-CD2 3.13Å; L246-L261 PolarHBondContact N-O 2.89Å; L246-L261 PolarHBondContact O-N 2.93Å; L246-F263 HydrophobicContact CB-CE2 3.72Å; L246-F263 HydrophobicContact CD2-CE2 4.45Å; L246-R269 HydrophobicContact CB-CG 4.13Å; L246-L272 HydrophobicContact CD2-CB 4.41Å; L246-L272 HydrophobicContact CD2-CD2 3.67Å; L246-L272 HydrophobicContact CD2-CG 4.1Å; L246-Y273 HydrophobicContact CD1-CD2 3.65Å; L246-Y273 HydrophobicContact CD1-CG 4.38Å; L246-I276 HydrophobicContact CD2-CD1 4.17Å |
| 247 | E | 93.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135 | -179.8 | -165.3 | 174 | -145.7 | 0 | 0 | 110.5 | I234 Y235 R237 F249 S257 Y260 S317 N319 | I234-E247 CarbonylContact C-O 3.5Å; I234-E247 VanDerWaalsContact CA-O 3.27Å; I234-E247 WeakPolarHBondContact CA-O 3.5Å; Y235-E247 PolarHBondContact N-O 2.92Å; Y235-E247 PolarHBondContact O-N 2.72Å; R237-E247 HydrophobicContact CG-CB 3.78Å; R237-E247 IonicContact CZ-OE2 3.67Å; R237-E247 VanDerWaalsContact CZ-OE2 3.23Å; R237-E247 IonicContact NE-OE2 3.94Å; R237-E247 PolarHBondContact NE-OE2 3.02Å; R237-E247 IonicContact NH2-OE2 2.68Å; R237-E247 PolarHBondContact NH2-OE2 3.26Å; E247-F249 HydrophobicContact CB-CE2 4.13Å; E247-F249 HydrophobicContact CG-CD2 4.33Å; E247-F249 HydrophobicContact CG-CE2 3.51Å; E247-F249 HydrophobicContact CG-CZ 3.95Å; E247-S257 WeakPolarHBondContact CG-OG 3.5Å; E247-S257 VanDerWaalsContact OE1-CB 3.32Å; E247-S257 WeakPolarHBondContact OE1-CB 3.38Å; E247-S257 PolarHBondContact OE1-OG 3.38Å; E247-S257 VanDerWaalsContact OE1-OG 3.07Å; E247-Y260 HydrophobicContact CB-CD2 4.29Å; E247-Y260 HydrophobicContact CB-CG 4.49Å; E247-Y260 HydrophobicContact CG-CG 4.37Å; E247-S317 PolarHBondContact OE1-OG 3.41Å; E247-S317 PolarHBondContact OE2-OG 3.43Å; E247-N319 PolarHBondContact OE1-ND2 3.25Å |
| 248 | V | 91.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128 | -171.7 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | L211 I226 V231 I234 L246 S257 D258 I259 I276 | L211-V248 HydrophobicContact CD2-CG2 4.15Å; I226-V248 HydrophobicContact CD1-CG1 4.4Å; I226-V248 HydrophobicContact CG2-CG1 4.48Å; V231-V248 HydrophobicContact CB-CG1 4.38Å; V231-V248 HydrophobicContact CG1-CG1 3.66Å; V231-V248 HydrophobicContact CG2-CG1 3.79Å; I234-V248 HydrophobicContact CG2-CB 4.25Å; I234-V248 HydrophobicContact CG2-CG1 4Å; I234-V248 HydrophobicContact CG2-CG2 3.98Å; L246-V248 HydrophobicContact CG-CG2 4.38Å; V248-S257 WeakPolarHBondContact O-CB 3.47Å; V248-D258 PolarHBondContact O-N 3.14Å; V248-I259 HydrophobicContact CB-CG2 3.86Å; V248-I259 HydrophobicContact CG2-CG2 4.02Å; V248-I259 PolarHBondContact N-O 3.13Å; V248-I259 PolarHBondContact O-N 3.37Å; V248-I276 HydrophobicContact CG2-CD1 4.4Å |
| 249 | F | 89.4 | Confident | 84.3 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.7 | -177.3 | -64.3 | -103.8 | 0 | 0 | 0 | 110.2 | K232 Q233 Y235 E247 | K232-F249 PolarHBondContact N-O 3.29Å; Q233-F249 HydrophobicContact CB-CB 4.19Å; Q233-F249 PolarHBondContact N-O 3.49Å; Q233-F249 VanDerWaalsContact N-O 3.11Å; Q233-F249 PolarHBondContact O-N 2.99Å; Y235-F249 AromaticContact CD2-CD2 3.88Å; Y235-F249 HydrophobicContact CD2-CD2 3.88Å; Y235-F249 AromaticContact CD2-CE2 3.54Å; Y235-F249 HydrophobicContact CD2-CE2 3.54Å; Y235-F249 HydrophobicContact CD2-CZ 4.44Å; Y235-F249 HydrophobicContact CE2-CD2 4.21Å; Y235-F249 AromaticContact CE2-CE2 3.99Å; Y235-F249 HydrophobicContact CE2-CE2 3.99Å; E247-F249 HydrophobicContact CB-CE2 4.13Å; E247-F249 HydrophobicContact CG-CD2 4.33Å; E247-F249 HydrophobicContact CG-CE2 3.51Å; E247-F249 HydrophobicContact CG-CZ 3.95Å |
| 250 | C | 86.9 | Confident | 84.5 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -101.3 | -9.9 | 174.8 | -55.4 | 0 | 0 | 0 | 0 | 113 | I226 R230 K232 D258 | I226-C250 VanDerWaalsContact CG2-SG 3.57Å; R230-C250 HydrophobicContact CB-CB 4.31Å; R230-C250 WeakPolarHBondContact O-CA 3.26Å; R230-C250 WeakPolarHBondContact O-CB 3.41Å; K232-C250 WeakPolarHBondContact CG-O 3.46Å; C250-D258 WeakPolarHBondContact CA-OD2 3.5Å; C250-D258 WeakPolarHBondContact CB-OD2 3.38Å; C250-D258 PolarHBondContact N-OD2 2.92Å; C250-D258 PolarHBondContact SG-OD2 2.64Å |
| 251 | T | 78.6 | Confident | 85 | Confident | 73 Ų | 73 | 33 Ų | 33 | 45% | 0.448 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -122.6 | 131.8 | 179 | -49.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 252 | E | 67 | Low | 85.5 | Confident | 134 Ų | 134 | 33 Ų | 33 | 63% | 0.626 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 141.4 | 176.6 | -70.4 | 178.7 | -170.6 | 0 | 0 | 111 | K232 D254 | K232-E252 HydrophobicContact CB-CG 4.22Å; K232-E252 HydrophobicContact CG-CG 4.37Å; E252-D254 PolarHBondContact O-N 3.2Å; E252-D254 VanDerWaalsContact O-N 3.15Å |
| 253 | N | 64.3 | Low | 85.9 | Confident | 113 Ų | 113 | 29.1 Ų | 29.1 | 60% | 0.604 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 15.2 | 176.7 | -52.7 | -52.2 | 0 | 0 | 0 | 115.6 | ||
| 254 | D | 68.5 | Low | 86 | Confident | 60 Ų | 60 | 29.9 Ų | 29.9 | 32% | 0.321 | 15% | 0.152 | S | C | . | . | trans | -76.2 | 143.6 | 171.6 | -158.1 | -6.6 | 0 | 0 | 0 | 110.6 | E252 C256 | E252-D254 PolarHBondContact O-N 3.2Å; E252-D254 VanDerWaalsContact O-N 3.15Å; D254-C256 VanDerWaalsContact C-N 3.34Å | ||
| 255 | F | 68.3 | Low | 86 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 13% | 0.127 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -74.4 | -28.3 | 179.4 | -177.8 | -104.4 | 0 | 0 | 0 | 112.1 | L308 Y324 P325 P438 | F255-L308 HydrophobicContact CD2-CD1 3.8Å; F255-L308 HydrophobicContact CE2-CD1 4.12Å; F255-Y324 HydrophobicContact CE1-CE1 4.48Å; F255-Y324 AromaticContact CE1-CE2 3.92Å; F255-Y324 HydrophobicContact CE1-CE2 3.92Å; F255-Y324 AromaticContact CE1-CZ 3.67Å; F255-Y324 VanDerWaalsContact CE1-OH 3.31Å; F255-Y324 WeakPolarHBondContact CE1-OH 3.31Å; F255-Y324 AromaticContact CZ-CE1 3.98Å; F255-Y324 HydrophobicContact CZ-CE1 3.98Å; F255-Y324 AromaticContact CZ-CE2 4Å; F255-Y324 HydrophobicContact CZ-CE2 4Å; F255-Y324 AromaticContact CZ-CZ 3.61Å; F255-P325 HydrophobicContact CE2-CB 3.96Å; F255-P325 HydrophobicContact CE2-CG 3.55Å; F255-P325 HydrophobicContact CZ-CB 4.28Å; F255-P325 HydrophobicContact CZ-CG 3.71Å; F255-P438 HydrophobicContact CE2-CB 4.35Å; F255-P438 HydrophobicContact CE2-CG 3.78Å; F255-P438 HydrophobicContact CZ-CG 4.26Å |
| 256 | C | 74.8 | Confident | 85.9 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -118.7 | 131 | -177.3 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | F3 D254 | F3-C256 WeakPolarHBondContact CA-SG 3.46Å; F3-C256 VanDerWaalsContact CB-SG 3.56Å; D254-C256 VanDerWaalsContact C-N 3.34Å |
| 257 | S | 83.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | trans | -65.5 | 166.4 | 175.5 | 76.6 | 0 | 0 | 0 | 0 | 112.5 | K5 E247 V248 I259 N319 | K5-S257 PolarHBondContact NZ-O 3Å; E247-S257 WeakPolarHBondContact CG-OG 3.5Å; E247-S257 VanDerWaalsContact OE1-CB 3.32Å; E247-S257 WeakPolarHBondContact OE1-CB 3.38Å; E247-S257 PolarHBondContact OE1-OG 3.38Å; E247-S257 VanDerWaalsContact OE1-OG 3.07Å; V248-S257 WeakPolarHBondContact O-CB 3.47Å; S257-I259 PolarHBondContact OG-O 3.13Å; S257-N319 PolarHBondContact N-ND2 2.67Å; S257-N319 PolarHBondContact OG-ND2 3.02Å | ||
| 258 | D | 88.4 | Confident | 85.9 | Confident | 57 Ų | 57 | 42 Ų | 42 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -85.3 | -27.6 | 173.3 | -65.5 | -68 | 0 | 0 | 0 | 111.5 | K5 I226 V248 C250 | K5-D258 IonicContact NZ-OD1 3.88Å; K5-D258 PolarHBondContact NZ-OD1 3.06Å; I226-D258 HydrophobicContact CD1-CB 3.92Å; V248-D258 PolarHBondContact O-N 3.14Å; C250-D258 WeakPolarHBondContact CA-OD2 3.5Å; C250-D258 WeakPolarHBondContact CB-OD2 3.38Å; C250-D258 PolarHBondContact N-OD2 2.92Å; C250-D258 PolarHBondContact SG-OD2 2.64Å |
| 259 | I | 91.9 | Very high | 86.1 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 144.4 | 166.5 | -161.9 | 168.2 | 0 | 0 | 0 | 111.2 | M193 L211 F213 V224 I226 V248 S257 L261 | M193-I259 HydrophobicContact CG-CG1 4.35Å; L211-I259 HydrophobicContact CD2-CG2 4.19Å; F213-I259 HydrophobicContact CB-CD1 3.64Å; F213-I259 HydrophobicContact CG-CD1 4.19Å; V224-I259 HydrophobicContact CG1-CD1 4.27Å; I226-I259 HydrophobicContact CD1-CB 3.73Å; I226-I259 HydrophobicContact CD1-CG2 3.32Å; V248-I259 HydrophobicContact CB-CG2 3.86Å; V248-I259 HydrophobicContact CG2-CG2 4.02Å; V248-I259 PolarHBondContact N-O 3.13Å; V248-I259 PolarHBondContact O-N 3.37Å; S257-I259 PolarHBondContact OG-O 3.13Å; I259-L261 HydrophobicContact CD1-CD1 4.43Å; I259-L261 HydrophobicContact CD1-CD2 3.71Å; I259-L261 HydrophobicContact CD1-CG 4.12Å; I259-L261 HydrophobicContact CG1-CD2 3.95Å; I259-L261 HydrophobicContact CG1-CG 4.09Å |
| 260 | Y | 94.6 | Very high | 86.2 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120.8 | 167.7 | -175.2 | -175.6 | 0 | 0 | 0 | 108.6 | M193 V194 R237 R238 L246 E247 N319 D320 | M193-Y260 CarbonylContact C-O 3.34Å; M193-Y260 WeakPolarHBondContact CA-O 3.39Å; V194-Y260 HydrophobicContact CB-CD1 3.71Å; V194-Y260 HydrophobicContact CB-CD2 4.33Å; V194-Y260 HydrophobicContact CB-CE1 4.17Å; V194-Y260 HydrophobicContact CB-CG 3.81Å; V194-Y260 HydrophobicContact CG1-CD1 3.73Å; V194-Y260 HydrophobicContact CG1-CE1 3.88Å; V194-Y260 HydrophobicContact CG1-CG 4.35Å; V194-Y260 HydrophobicContact CG2-CD1 4.39Å; V194-Y260 HydrophobicContact CG2-CD2 4.33Å; V194-Y260 HydrophobicContact CG2-CE2 4.38Å; V194-Y260 HydrophobicContact CG2-CG 4.31Å; V194-Y260 PolarHBondContact N-O 3.44Å; R237-Y260 HydrophobicContact CB-CE2 3.96Å; R237-Y260 HydrophobicContact CG-CE2 4.19Å; R238-Y260 PolarHBondContact O-OH 3.24Å; L246-Y260 WeakPolarHBondContact O-CD2 3.13Å; E247-Y260 HydrophobicContact CB-CD2 4.29Å; E247-Y260 HydrophobicContact CB-CG 4.49Å; E247-Y260 HydrophobicContact CG-CG 4.37Å; Y260-N319 HydrophobicContact CD1-CB 3.73Å; Y260-N319 HydrophobicContact CG-CB 4.47Å; Y260-D320 HydrophobicContact CE1-CB 3.95Å |
| 261 | L | 96.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.9 | 179.4 | -61 | 171.6 | 0 | 0 | 0 | 110.9 | E192 M193 V204 F213 G245 L246 I259 F263 L272 | E192-L261 CarbonylContact O-C 3.6Å; E192-L261 WeakPolarHBondContact O-CA 3.18Å; M193-L261 HydrophobicContact CB-CD2 4.49Å; V204-L261 HydrophobicContact CG1-CD1 4.27Å; V204-L261 HydrophobicContact CG2-CD1 3.75Å; V204-L261 HydrophobicContact CG2-CD2 3.96Å; V204-L261 HydrophobicContact CG2-CG 4.42Å; F213-L261 HydrophobicContact CB-CD2 4.45Å; F213-L261 HydrophobicContact CD2-CD2 3.67Å; F213-L261 HydrophobicContact CE2-CD2 4.17Å; F213-L261 HydrophobicContact CG-CD2 4.12Å; G245-L261 CarbonylContact C-O 3.17Å; G245-L261 WeakPolarHBondContact CA-O 3.19Å; L246-L261 PolarHBondContact N-O 2.89Å; L246-L261 PolarHBondContact O-N 2.93Å; I259-L261 HydrophobicContact CD1-CD1 4.43Å; I259-L261 HydrophobicContact CD1-CD2 3.71Å; I259-L261 HydrophobicContact CD1-CG 4.12Å; I259-L261 HydrophobicContact CG1-CD2 3.95Å; I259-L261 HydrophobicContact CG1-CG 4.09Å; L261-F263 HydrophobicContact CB-CD2 4.48Å; L261-F263 HydrophobicContact CB-CE2 3.59Å; L261-F263 HydrophobicContact CB-CZ 3.82Å; L261-F263 HydrophobicContact CD1-CZ 4.02Å; L261-L272 HydrophobicContact CD1-CD2 4.22Å |
| 262 | K | 95.7 | Very high | 87.3 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.6 | 169.1 | 167.6 | -157.9 | 169.2 | -165.4 | 0 | 108.3 | A191 E192 V194 | A191-K262 CarbonylContact C-O 3.59Å; A191-K262 WeakPolarHBondContact CA-O 3.06Å; A191-K262 WeakPolarHBondContact CB-O 3.24Å; E192-K262 HydrophobicContact CB-CB 4.39Å; E192-K262 HydrophobicContact CB-CD 4.32Å; E192-K262 VanDerWaalsContact CD-NZ 3.31Å; E192-K262 PolarHBondContact N-O 3.3Å; E192-K262 PolarHBondContact O-N 2.83Å; E192-K262 IonicContact OE1-NZ 2.98Å; E192-K262 PolarHBondContact OE1-NZ 3.35Å; E192-K262 WeakPolarHBondContact OE2-CD 3.38Å; E192-K262 IonicContact OE2-NZ 3.76Å; E192-K262 PolarHBondContact OE2-NZ 3.03Å; V194-K262 HydrophobicContact CG2-CB 3.54Å |
| 263 | F | 96.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 154.5 | 179.8 | -63.5 | -95.8 | 0 | 0 | 0 | 111.1 | A191 L244 L246 L261 K265 D268 R269 L272 | A191-F263 HydrophobicContact CB-CD1 4.05Å; A191-F263 HydrophobicContact CB-CE1 4.04Å; A191-F263 HydrophobicContact CB-CZ 4.48Å; L244-F263 WeakPolarHBondContact O-CD2 3.24Å; L244-F263 PolarHBondContact O-N 3.13Å; L246-F263 HydrophobicContact CB-CE2 3.72Å; L246-F263 HydrophobicContact CD2-CE2 4.45Å; L261-F263 HydrophobicContact CB-CD2 4.48Å; L261-F263 HydrophobicContact CB-CE2 3.59Å; L261-F263 HydrophobicContact CB-CZ 3.82Å; L261-F263 HydrophobicContact CD1-CZ 4.02Å; F263-K265 VanDerWaalsContact C-N 3.34Å; F263-K265 WeakPolarHBondContact CB-O 3.47Å; F263-D268 HydrophobicContact CD1-CB 4.12Å; F263-R269 HydrophobicContact CB-CB 4.01Å; F263-R269 HydrophobicContact CD1-CB 4.38Å; F263-R269 HydrophobicContact CD2-CB 3.49Å; F263-R269 VanDerWaalsContact CD2-CB 3.49Å; F263-R269 HydrophobicContact CD2-CG 3.56Å; F263-R269 HydrophobicContact CE2-CB 4.12Å; F263-R269 HydrophobicContact CE2-CG 3.93Å; F263-R269 HydrophobicContact CG-CB 3.68Å; F263-R269 HydrophobicContact CG-CG 4.28Å; F263-L272 HydrophobicContact CE1-CD2 3.91Å; F263-L272 HydrophobicContact CE2-CD2 4.44Å; F263-L272 HydrophobicContact CZ-CD2 3.4Å; F263-L272 VanDerWaalsContact CZ-CD2 3.4Å |
| 264 | Y | 92.4 | Very high | 89.8 | Confident | 75 Ų | 75 | 39.5 Ų | 39.5 | 29% | 0.294 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -77.7 | -23.7 | 171.1 | -62.9 | -72.6 | 0 | 0 | 0 | 112.4 | L168 E190 E192 | L168-Y264 HydrophobicContact CD1-CE2 3.99Å; E190-Y264 HydrophobicContact CB-CD2 3.89Å; E190-Y264 HydrophobicContact CB-CE2 3.94Å; E192-Y264 VanDerWaalsContact CG-OH 3.28Å; E192-Y264 WeakPolarHBondContact CG-OH 3.39Å; E192-Y264 VanDerWaalsContact OE1-CE1 3.3Å; E192-Y264 WeakPolarHBondContact OE1-CE1 3.37Å; E192-Y264 VanDerWaalsContact OE1-CZ 3.31Å; E192-Y264 PolarHBondContact OE1-OH 3.44Å |
| 265 | K | 92.6 | Very high | 90.8 | Very high | 124 Ų | 124 | 38.5 Ų | 38.5 | 54% | 0.539 | 19% | 0.186 | S | C | . | . | trans | -130.9 | 139.4 | -179.5 | -59.7 | 175.7 | -170.7 | 162.8 | 0 | 111.3 | F263 S267 D268 R269 | F263-K265 VanDerWaalsContact C-N 3.34Å; F263-K265 WeakPolarHBondContact CB-O 3.47Å; K265-S267 VanDerWaalsContact C-N 3.25Å; K265-S267 PolarHBondContact O-N 3.36Å; K265-D268 PolarHBondContact O-N 3.43Å; K265-R269 PolarHBondContact O-N 2.98Å | ||
| 266 | T | 92.7 | Very high | 91.9 | Very high | 54 Ų | 54 | 37.1 Ų | 37.1 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -29.5 | 175.3 | -50.8 | 0 | 0 | 0 | 0 | 112.5 | N270 | T266-N270 WeakPolarHBondContact O-CB 3.31Å; T266-N270 VanDerWaalsContact O-CG 3.28Å; T266-N270 PolarHBondContact O-N 3.26Å; T266-N270 PolarHBondContact O-ND2 3.44Å |
| 267 | S | 94.6 | Very high | 92.5 | Very high | 58 Ų | 58 | 37.8 Ų | 37.8 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.4 | -52.8 | 175.5 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | K265 R269 N270 D271 | K265-S267 VanDerWaalsContact C-N 3.25Å; K265-S267 PolarHBondContact O-N 3.36Å; S267-R269 VanDerWaalsContact C-N 3.28Å; S267-R269 PolarHBondContact O-N 2.85Å; S267-N270 WeakPolarHBondContact O-CB 3.49Å; S267-N270 PolarHBondContact O-N 2.59Å; S267-D271 PolarHBondContact O-N 2.68Å |
| 268 | D | 95.5 | Very high | 92.6 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | -173.9 | -53.5 | -4.3 | 0 | 0 | 0 | 110.2 | M187 C189 F263 K265 L272 | M187-D268 WeakPolarHBondContact CE-O 3.29Å; C189-D268 HydrophobicContact CB-CB 4.22Å; F263-D268 HydrophobicContact CD1-CB 4.12Å; K265-D268 PolarHBondContact O-N 3.43Å; D268-L272 WeakPolarHBondContact O-CB 3.4Å; D268-L272 PolarHBondContact O-N 3.44Å; D268-L272 VanDerWaalsContact O-N 3.09Å |
| 269 | R | 95.4 | Very high | 92.4 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 6% | 0.06 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 172.3 | -173.7 | -91.1 | -64 | -175.2 | -2.5 | 112.4 | P243 L246 F263 K265 S267 Y273 | P243-R269 PolarHBondContact O-NE 2.81Å; P243-R269 PolarHBondContact O-NH2 3.28Å; L246-R269 HydrophobicContact CB-CG 4.13Å; F263-R269 HydrophobicContact CB-CB 4.01Å; F263-R269 HydrophobicContact CD1-CB 4.38Å; F263-R269 HydrophobicContact CD2-CB 3.49Å; F263-R269 VanDerWaalsContact CD2-CB 3.49Å; F263-R269 HydrophobicContact CD2-CG 3.56Å; F263-R269 HydrophobicContact CE2-CB 4.12Å; F263-R269 HydrophobicContact CE2-CG 3.93Å; F263-R269 HydrophobicContact CG-CB 3.68Å; F263-R269 HydrophobicContact CG-CG 4.28Å; K265-R269 PolarHBondContact O-N 2.98Å; S267-R269 VanDerWaalsContact C-N 3.28Å; S267-R269 PolarHBondContact O-N 2.85Å; R269-Y273 WeakPolarHBondContact O-CB 3.34Å; R269-Y273 PolarHBondContact O-N 3.36Å |
| 270 | N | 92.6 | Very high | 91.8 | Very high | 40 Ų | 40 | 44 Ų | 44 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.1 | -44.4 | -178.6 | -79.3 | -23.1 | 0 | 0 | 0 | 111.6 | T266 S267 L272 Y273 Y274 | T266-N270 WeakPolarHBondContact O-CB 3.31Å; T266-N270 VanDerWaalsContact O-CG 3.28Å; T266-N270 PolarHBondContact O-N 3.26Å; T266-N270 PolarHBondContact O-ND2 3.44Å; S267-N270 WeakPolarHBondContact O-CB 3.49Å; S267-N270 PolarHBondContact O-N 2.59Å; N270-L272 VanDerWaalsContact C-N 3.33Å; N270-L272 PolarHBondContact O-N 3Å; N270-Y273 WeakPolarHBondContact O-CB 3.49Å; N270-Y273 PolarHBondContact O-N 3.11Å; N270-Y274 HydrophobicContact CB-CD2 4.33Å; N270-Y274 HydrophobicContact CB-CE2 4.03Å; N270-Y274 WeakPolarHBondContact O-CD2 3.44Å; N270-Y274 PolarHBondContact O-N 3.39Å |
| 271 | D | 93.3 | Very high | 90.1 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 49% | 0.492 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 179.1 | -67.5 | -16.2 | 0 | 0 | 0 | 110.5 | M187 S267 Y274 Y275 | M187-D271 HydrophobicContact CE-CB 3.79Å; M187-D271 HydrophobicContact SD-CB 4.41Å; S267-D271 PolarHBondContact O-N 2.68Å; D271-Y274 PolarHBondContact O-N 3.22Å; D271-Y275 WeakPolarHBondContact O-CB 3.34Å; D271-Y275 PolarHBondContact O-N 3.26Å |
| 272 | L | 94.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.6 | -169.1 | 74.6 | 0 | 0 | 0 | 112.1 | M187 V204 I206 L211 L246 L261 F263 D268 N270 Y275 I276 | M187-L272 HydrophobicContact CE-CB 3.98Å; M187-L272 HydrophobicContact CE-CD1 4.5Å; M187-L272 HydrophobicContact CG-CD1 4.14Å; M187-L272 VanDerWaalsContact SD-CA 3.52Å; M187-L272 HydrophobicContact SD-CB 3.72Å; M187-L272 HydrophobicContact SD-CD1 3.5Å; M187-L272 VanDerWaalsContact SD-CD1 3.5Å; M187-L272 HydrophobicContact SD-CG 4.23Å; V204-L272 HydrophobicContact CG1-CD1 4.18Å; V204-L272 HydrophobicContact CG1-CD2 3.88Å; I206-L272 HydrophobicContact CB-CD1 3.7Å; I206-L272 HydrophobicContact CD1-CD1 3.6Å; I206-L272 HydrophobicContact CD1-CG 4.43Å; I206-L272 HydrophobicContact CG1-CD1 4.25Å; I206-L272 HydrophobicContact CG2-CD1 3.84Å; L211-L272 HydrophobicContact CD1-CD1 4.07Å; L211-L272 HydrophobicContact CD1-CD2 4.18Å; L246-L272 HydrophobicContact CD2-CB 4.41Å; L246-L272 HydrophobicContact CD2-CD2 3.67Å; L246-L272 HydrophobicContact CD2-CG 4.1Å; L261-L272 HydrophobicContact CD1-CD2 4.22Å; F263-L272 HydrophobicContact CE1-CD2 3.91Å; F263-L272 HydrophobicContact CE2-CD2 4.44Å; F263-L272 HydrophobicContact CZ-CD2 3.4Å; F263-L272 VanDerWaalsContact CZ-CD2 3.4Å; D268-L272 WeakPolarHBondContact O-CB 3.4Å; D268-L272 PolarHBondContact O-N 3.44Å; D268-L272 VanDerWaalsContact O-N 3.09Å; N270-L272 VanDerWaalsContact C-N 3.33Å; N270-L272 PolarHBondContact O-N 3Å; L272-Y275 PolarHBondContact O-N 2.89Å; L272-I276 HydrophobicContact CG-CD1 4.06Å; L272-I276 WeakPolarHBondContact O-CG1 3.38Å; L272-I276 PolarHBondContact O-N 3.26Å |
| 273 | Y | 92.8 | Very high | 86 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.4 | -52 | 176.6 | 172.6 | -85.8 | 0 | 0 | 0 | 111.5 | I234 K236 L246 R269 N270 Y275 I276 A277 H283 | I234-Y273 HydrophobicContact CD1-CD2 3.52Å; I234-Y273 HydrophobicContact CD1-CE2 3.6Å; I234-Y273 HydrophobicContact CD1-CG 4.11Å; I234-Y273 HydrophobicContact CG1-CD2 3.99Å; I234-Y273 HydrophobicContact CG1-CE2 3.67Å; K236-Y273 HydrophobicContact CD-CD1 4.47Å; K236-Y273 HydrophobicContact CD-CD2 4.22Å; K236-Y273 HydrophobicContact CD-CE1 4.36Å; K236-Y273 HydrophobicContact CD-CE2 4.09Å; K236-Y273 HydrophobicContact CD-CG 4.4Å; K236-Y273 VanDerWaalsContact CE-CE1 3.44Å; K236-Y273 VanDerWaalsContact CE-CG 3.46Å; K236-Y273 HydrophobicContact CG-CD2 3.59Å; K236-Y273 HydrophobicContact CG-CE2 3.63Å; K236-Y273 HydrophobicContact CG-CG 4.13Å; L246-Y273 HydrophobicContact CD1-CD2 3.65Å; L246-Y273 HydrophobicContact CD1-CG 4.38Å; R269-Y273 WeakPolarHBondContact O-CB 3.34Å; R269-Y273 PolarHBondContact O-N 3.36Å; N270-Y273 WeakPolarHBondContact O-CB 3.49Å; N270-Y273 PolarHBondContact O-N 3.11Å; Y273-Y275 VanDerWaalsContact C-N 3.28Å; Y273-Y275 PolarHBondContact O-N 3.2Å; Y273-I276 PolarHBondContact O-N 3.03Å; Y273-A277 VanDerWaalsContact O-CB 3.32Å; Y273-A277 WeakPolarHBondContact O-CB 3.5Å; Y273-A277 PolarHBondContact O-N 3.14Å; Y273-H283 AromaticContact CZ-CE1 3.76Å; Y273-H283 AromaticContact CZ-NE2 3.98Å; Y273-H283 PolarHBondContact OH-CE1 2.84Å |
| 274 | Y | 90.1 | Very high | 83.3 | Confident | 128 Ų | 128 | 68.6 Ų | 68.6 | 50% | 0.502 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.2 | -36.5 | -176.6 | -70.1 | -54.4 | 0 | 0 | 0 | 111.2 | K236 N270 D271 A277 T278 | K236-Y274 PolarHBondContact NZ-OH 3.29Å; N270-Y274 HydrophobicContact CB-CD2 4.33Å; N270-Y274 HydrophobicContact CB-CE2 4.03Å; N270-Y274 WeakPolarHBondContact O-CD2 3.44Å; N270-Y274 PolarHBondContact O-N 3.39Å; D271-Y274 PolarHBondContact O-N 3.22Å; Y274-A277 PolarHBondContact O-N 3.1Å; Y274-T278 VanDerWaalsContact O-CG2 3.31Å; Y274-T278 WeakPolarHBondContact O-CG2 3.37Å; Y274-T278 PolarHBondContact O-N 2.77Å |
| 275 | Y | 91.2 | Very high | 81.2 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -50.8 | 175.4 | -170 | -98.7 | 0 | 0 | 0 | 111.9 | H186 I206 T207 L228 D271 L272 Y273 A277 T278 F279 | H186-Y275 HydrophobicContact CB-CD2 4.49Å; H186-Y275 HydrophobicContact CB-CE1 4.03Å; H186-Y275 HydrophobicContact CB-CE2 3.88Å; H186-Y275 AromaticContact CD2-CD2 3.16Å; H186-Y275 WeakPolarHBondContact CD2-CD2 3.44Å; H186-Y275 AromaticContact CD2-CE2 3.36Å; H186-Y275 WeakPolarHBondContact CD2-CE2 3.39Å; H186-Y275 AromaticContact CD2-CG 3.53Å; H186-Y275 AromaticContact CD2-CZ 3.88Å; H186-Y275 AromaticContact CE1-CD2 3.72Å; H186-Y275 AromaticContact CE1-CE2 3.67Å; H186-Y275 AromaticContact CG-CD2 3.63Å; H186-Y275 AromaticContact CG-CE2 3.27Å; H186-Y275 AromaticContact CG-CZ 3.56Å; H186-Y275 AromaticContact ND1-CD2 3.95Å; H186-Y275 AromaticContact ND1-CE2 3.48Å; H186-Y275 WeakPolarHBondContact ND1-CE2 3.31Å; H186-Y275 AromaticContact NE2-CD2 3.23Å; H186-Y275 WeakPolarHBondContact NE2-CD2 3.48Å; H186-Y275 AromaticContact NE2-CE2 3.62Å; H186-Y275 AromaticContact NE2-CG 3.93Å; I206-Y275 HydrophobicContact CB-CD1 4.48Å; I206-Y275 HydrophobicContact CD1-CD1 3.5Å; I206-Y275 VanDerWaalsContact CD1-CD1 3.5Å; I206-Y275 HydrophobicContact CD1-CE1 4.09Å; I206-Y275 HydrophobicContact CG1-CD1 3.82Å; I206-Y275 HydrophobicContact CG1-CE1 3.92Å; I206-Y275 HydrophobicContact CG2-CD1 3.8Å; I206-Y275 HydrophobicContact CG2-CE1 4Å; I206-Y275 HydrophobicContact CG2-CG 4.5Å; T207-Y275 WeakPolarHBondContact O-CE1 3.47Å; L228-Y275 HydrophobicContact CD1-CE1 4.41Å; D271-Y275 WeakPolarHBondContact O-CB 3.34Å; D271-Y275 PolarHBondContact O-N 3.26Å; L272-Y275 PolarHBondContact O-N 2.89Å; Y273-Y275 VanDerWaalsContact C-N 3.28Å; Y273-Y275 PolarHBondContact O-N 3.2Å; Y275-A277 PolarHBondContact O-N 3.47Å; Y275-T278 PolarHBondContact O-N 2.85Å; Y275-T278 VanDerWaalsContact O-N 3.11Å; Y275-T278 PolarHBondContact O-OG1 3.3Å; Y275-F279 AromaticContact CD1-CE2 3.98Å; Y275-F279 HydrophobicContact CD1-CE2 3.98Å; Y275-F279 HydrophobicContact CE1-CD2 4.48Å; Y275-F279 AromaticContact CE1-CE2 3.52Å; Y275-F279 HydrophobicContact CE1-CE2 3.52Å; Y275-F279 HydrophobicContact CE1-CZ 4.12Å; Y275-F279 HydrophobicContact CE2-CE2 4.24Å; Y275-F279 AromaticContact CZ-CE2 3.68Å; Y275-F279 WeakPolarHBondContact O-CD2 3.21Å |
| 276 | I | 90.8 | Very high | 79.1 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.6 | -40 | 176.2 | -62.2 | 166.6 | 0 | 0 | 0 | 110.7 | I206 L211 L228 V231 I234 L246 V248 L272 Y273 T278 F279 L280 | I206-I276 HydrophobicContact CD1-CD1 3.99Å; I206-I276 HydrophobicContact CD1-CG1 3.3Å; L211-I276 HydrophobicContact CD2-CD1 4.13Å; L228-I276 HydrophobicContact CD2-CG1 4.16Å; L228-I276 HydrophobicContact CD2-CG2 4.42Å; V231-I276 HydrophobicContact CG1-CG2 4.17Å; I234-I276 HydrophobicContact CD1-CB 4.07Å; I234-I276 HydrophobicContact CD1-CG2 4.03Å; I234-I276 HydrophobicContact CG2-CG2 3.84Å; L246-I276 HydrophobicContact CD2-CD1 4.17Å; V248-I276 HydrophobicContact CG2-CD1 4.4Å; L272-I276 HydrophobicContact CG-CD1 4.06Å; L272-I276 WeakPolarHBondContact O-CG1 3.38Å; L272-I276 PolarHBondContact O-N 3.26Å; Y273-I276 PolarHBondContact O-N 3.03Å; I276-T278 PolarHBondContact O-N 3Å; I276-F279 PolarHBondContact O-N 3.39Å; I276-L280 HydrophobicContact CG2-CD1 4.23Å |
| 277 | A | 87.8 | Confident | 77.7 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.7 | -28.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | I234 Y273 Y274 Y275 F279 L280 H283 | I234-A277 HydrophobicContact CD1-CB 4.18Å; Y273-A277 VanDerWaalsContact O-CB 3.32Å; Y273-A277 WeakPolarHBondContact O-CB 3.5Å; Y273-A277 PolarHBondContact O-N 3.14Å; Y274-A277 PolarHBondContact O-N 3.1Å; Y275-A277 PolarHBondContact O-N 3.47Å; A277-F279 PolarHBondContact O-N 3.2Å; A277-L280 PolarHBondContact O-N 3Å; A277-H283 VanDerWaalsContact CB-CD2 3.43Å; A277-H283 WeakPolarHBondContact CB-CD2 3.24Å |
| 278 | T | 86.5 | Confident | 76.7 | Confident | 105 Ų | 105 | 70.5 Ų | 70.5 | 64% | 0.644 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -22 | 176.5 | 68.3 | 0 | 0 | 0 | 0 | 114.1 | Y274 Y275 I276 | Y274-T278 VanDerWaalsContact O-CG2 3.31Å; Y274-T278 WeakPolarHBondContact O-CG2 3.37Å; Y274-T278 PolarHBondContact O-N 2.77Å; Y275-T278 PolarHBondContact O-N 2.85Å; Y275-T278 VanDerWaalsContact O-N 3.11Å; Y275-T278 PolarHBondContact O-OG1 3.3Å; I276-T278 PolarHBondContact O-N 3Å |
| 279 | F | 82.5 | Confident | 75.9 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -6.3 | 179.6 | -67.5 | -93.1 | 0 | 0 | 0 | 113.4 | D208 L228 Y275 I276 A277 | D208-F279 WeakPolarHBondContact O-CE1 3.26Å; L228-F279 HydrophobicContact CB-CB 4.39Å; L228-F279 HydrophobicContact CB-CD1 4.48Å; L228-F279 HydrophobicContact CB-CG 4.32Å; L228-F279 HydrophobicContact CD1-CD1 4.32Å; L228-F279 HydrophobicContact CD1-CD2 3.92Å; L228-F279 HydrophobicContact CD1-CE1 4.28Å; L228-F279 HydrophobicContact CD1-CE2 3.91Å; L228-F279 HydrophobicContact CD1-CG 4.14Å; L228-F279 HydrophobicContact CD1-CZ 4.08Å; Y275-F279 AromaticContact CD1-CE2 3.98Å; Y275-F279 HydrophobicContact CD1-CE2 3.98Å; Y275-F279 HydrophobicContact CE1-CD2 4.48Å; Y275-F279 AromaticContact CE1-CE2 3.52Å; Y275-F279 HydrophobicContact CE1-CE2 3.52Å; Y275-F279 HydrophobicContact CE1-CZ 4.12Å; Y275-F279 HydrophobicContact CE2-CE2 4.24Å; Y275-F279 AromaticContact CZ-CE2 3.68Å; Y275-F279 WeakPolarHBondContact O-CD2 3.21Å; I276-F279 PolarHBondContact O-N 3.39Å; A277-F279 PolarHBondContact O-N 3.2Å |
| 280 | L | 79.7 | Confident | 74.9 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -93.8 | 101.9 | -177.9 | -76.9 | 167.8 | 0 | 0 | 0 | 109.6 | V231 I234 I276 A277 N282 H283 | V231-L280 HydrophobicContact CB-CD2 4.14Å; V231-L280 HydrophobicContact CG1-CD1 3.95Å; V231-L280 HydrophobicContact CG1-CD2 4.02Å; V231-L280 HydrophobicContact CG1-CG 4.4Å; V231-L280 WeakPolarHBondContact O-CD2 3.36Å; I234-L280 HydrophobicContact CD1-CD1 4.21Å; I234-L280 HydrophobicContact CG1-CD1 4.06Å; I234-L280 HydrophobicContact CG2-CD1 4.24Å; I276-L280 HydrophobicContact CG2-CD1 4.23Å; A277-L280 PolarHBondContact O-N 3Å; L280-N282 PolarHBondContact O-N 3.07Å; L280-H283 HydrophobicContact CB-CB 3.73Å; L280-H283 WeakPolarHBondContact CD1-CD2 3.18Å; L280-H283 PolarHBondContact O-N 2.89Å |
| 281 | E | 60 | Low | 74.1 | Confident | 184 Ų | 184 | 72.1 Ų | 72.1 | 86% | 0.86 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 121.3 | 169.3 | -71.7 | -177.9 | 178.7 | 0 | 0 | 108.8 | ||
| 282 | N | 52.9 | Low | 73.6 | Confident | 134 Ų | 134 | 68.4 Ų | 68.4 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 19.1 | -176.4 | -47.4 | -49.2 | 0 | 0 | 0 | 116.9 | L280 M284 V285 | L280-N282 PolarHBondContact O-N 3.07Å; N282-M284 PolarHBondContact O-N 3.01Å; N282-V285 HydrophobicContact CB-CG2 4.38Å; N282-V285 PolarHBondContact O-N 2.92Å |
| 283 | H | 52.3 | Low | 73.2 | Confident | 42 Ų | 42 | 69.2 Ų | 69.2 | 19% | 0.194 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -31.4 | 172 | -165.4 | -51.5 | 0 | 0 | 0 | 113.1 | I234 Y273 A277 L280 V285 E286 | I234-H283 VanDerWaalsContact CD1-NE2 3.31Å; I234-H283 WeakPolarHBondContact CD1-NE2 3.44Å; I234-H283 WeakPolarHBondContact CG1-NE2 3.38Å; Y273-H283 AromaticContact CZ-CE1 3.76Å; Y273-H283 AromaticContact CZ-NE2 3.98Å; Y273-H283 PolarHBondContact OH-CE1 2.84Å; A277-H283 VanDerWaalsContact CB-CD2 3.43Å; A277-H283 WeakPolarHBondContact CB-CD2 3.24Å; L280-H283 HydrophobicContact CB-CB 3.73Å; L280-H283 WeakPolarHBondContact CD1-CD2 3.18Å; L280-H283 PolarHBondContact O-N 2.89Å; H283-V285 PolarHBondContact O-N 3.02Å; H283-E286 PolarHBondContact O-N 2.94Å |
| 284 | M | 39.1 | Very low | 72.2 | Confident | 185 Ų | 185 | 70.5 Ų | 70.5 | 91% | 0.911 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -9.5 | -180 | -63.1 | -140.5 | 74.4 | 0 | 0 | 114.2 | N282 E286 | N282-M284 PolarHBondContact O-N 3.01Å; M284-E286 PolarHBondContact O-N 3.04Å; M284-E286 VanDerWaalsContact O-N 3.13Å |
| 285 | V | 48 | Very low | 71.6 | Confident | 89 Ų | 89 | 67 Ų | 67 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | trans | -85.7 | 63.7 | 163.1 | -166.5 | 0 | 0 | 0 | 0 | 107.4 | N282 H283 H287 | N282-V285 HydrophobicContact CB-CG2 4.38Å; N282-V285 PolarHBondContact O-N 2.92Å; H283-V285 PolarHBondContact O-N 3.02Å; V285-H287 PolarHBondContact O-N 3Å | ||
| 286 | E | 49.4 | Very low | 71.5 | Confident | 128 Ų | 128 | 65.2 Ų | 65.2 | 60% | 0.598 | 34% | 0.338 | S | S | * | . | trans | -58.5 | 108.3 | 164.4 | -145 | 172.4 | -155.9 | 0 | 0 | 105.3 | H283 M284 T288 | H283-E286 PolarHBondContact O-N 2.94Å; M284-E286 PolarHBondContact O-N 3.04Å; M284-E286 VanDerWaalsContact O-N 3.13Å; E286-T288 WeakPolarHBondContact O-CG2 3.38Å; E286-T288 PolarHBondContact O-N 3.46Å | ||
| 287 | H | 63 | Low | 71.1 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 35% | 0.347 | 34% | 0.344 | S | S | . | . | trans | -66.8 | 89.9 | 171.8 | -71.2 | -67 | 0 | 0 | 0 | 106.6 | V285 S291 Y292 | V285-H287 PolarHBondContact O-N 3Å; H287-S291 PolarHBondContact ND1-OG 2.85Å; H287-Y292 HydrophobicContact CB-CD2 3.86Å; H287-Y292 HydrophobicContact CB-CE1 3.98Å; H287-Y292 HydrophobicContact CB-CE2 3.24Å; H287-Y292 HydrophobicContact CB-CG 4.47Å; H287-Y292 WeakPolarHBondContact CB-OH 3.48Å; H287-Y292 AromaticContact CG-CZ 3.91Å; H287-Y292 WeakPolarHBondContact O-CD2 3.22Å; H287-Y292 WeakPolarHBondContact O-CE2 3.43Å | ||
| 288 | T | 72.8 | Confident | 70.4 | Confident | 59 Ų | 59 | 70.2 Ų | 70.2 | 36% | 0.362 | 35% | 0.354 | S | S | . | . | trans | -61.1 | 165.2 | 179.4 | 73.1 | 0 | 0 | 0 | 0 | 109.8 | E286 E290 S291 Y292 | E286-T288 WeakPolarHBondContact O-CG2 3.38Å; E286-T288 PolarHBondContact O-N 3.46Å; T288-E290 WeakPolarHBondContact CB-OE2 3.37Å; T288-E290 PolarHBondContact O-N 3.36Å; T288-E290 VanDerWaalsContact O-N 3.15Å; T288-E290 PolarHBondContact OG1-N 3Å; T288-E290 PolarHBondContact OG1-OE2 2.97Å; T288-S291 WeakPolarHBondContact O-CB 3.05Å; T288-S291 PolarHBondContact O-N 2.94Å; T288-S291 PolarHBondContact OG1-N 2.83Å; T288-Y292 PolarHBondContact O-N 3.24Å | ||
| 289 | A | 78.6 | Confident | 70.1 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.6 | -35.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M293 L313 L558 F559 | A289-M293 VanDerWaalsContact O-CB 3.24Å; A289-M293 WeakPolarHBondContact O-CB 3.26Å; A289-M293 PolarHBondContact O-N 2.97Å; A289-L313 VanDerWaalsContact CA-CD1 3.45Å; A289-L313 HydrophobicContact CB-CD1 3.83Å; A289-L558 HydrophobicContact CB-CB 4.39Å; A289-F559 HydrophobicContact CB-CE1 3.61Å; A289-F559 HydrophobicContact CB-CZ 3.62Å |
| 290 | E | 74.6 | Confident | 70 | Confident | 74 Ų | 74 | 70 Ų | 70 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | 176.7 | -56.1 | 75.4 | -161.8 | 0 | 0 | 112.6 | T288 M293 L294 M834 | T288-E290 WeakPolarHBondContact CB-OE2 3.37Å; T288-E290 PolarHBondContact O-N 3.36Å; T288-E290 VanDerWaalsContact O-N 3.15Å; T288-E290 PolarHBondContact OG1-N 3Å; T288-E290 PolarHBondContact OG1-OE2 2.97Å; E290-M293 WeakPolarHBondContact O-CB 3.16Å; E290-M293 PolarHBondContact O-N 2.88Å; E290-L294 WeakPolarHBondContact O-CB 3.43Å; E290-L294 PolarHBondContact O-N 2.71Å; E290-M834 HydrophobicContact CB-CE 4.12Å; E290-M834 HydrophobicContact CB-SD 4.34Å; E290-M834 HydrophobicContact CG-CE 4.17Å; E290-M834 HydrophobicContact CG-SD 4.46Å |
| 291 | S | 76.9 | Confident | 70.4 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 176.5 | -174.2 | 0 | 0 | 0 | 0 | 111.4 | H287 T288 L294 Q295 | H287-S291 PolarHBondContact ND1-OG 2.85Å; T288-S291 WeakPolarHBondContact O-CB 3.05Å; T288-S291 PolarHBondContact O-N 2.94Å; T288-S291 PolarHBondContact OG1-N 2.83Å; S291-L294 PolarHBondContact O-N 2.85Å; S291-Q295 WeakPolarHBondContact O-CG 3.36Å; S291-Q295 PolarHBondContact O-N 3.3Å; S291-Q295 VanDerWaalsContact O-N 3.16Å |
| 292 | Y | 82.3 | Confident | 72 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 6% | 0.055 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 176.5 | -73 | -62.1 | 0 | 0 | 0 | 111.9 | H287 T288 L294 Q295 W296 L301 Y306 H309 L313 | H287-Y292 HydrophobicContact CB-CD2 3.86Å; H287-Y292 HydrophobicContact CB-CE1 3.98Å; H287-Y292 HydrophobicContact CB-CE2 3.24Å; H287-Y292 HydrophobicContact CB-CG 4.47Å; H287-Y292 WeakPolarHBondContact CB-OH 3.48Å; H287-Y292 AromaticContact CG-CZ 3.91Å; H287-Y292 WeakPolarHBondContact O-CD2 3.22Å; H287-Y292 WeakPolarHBondContact O-CE2 3.43Å; T288-Y292 PolarHBondContact O-N 3.24Å; Y292-L294 VanDerWaalsContact C-N 3.35Å; Y292-L294 PolarHBondContact O-N 3.19Å; Y292-Q295 PolarHBondContact O-N 3.41Å; Y292-W296 WeakPolarHBondContact O-CB 3.24Å; Y292-W296 PolarHBondContact O-N 3.15Å; Y292-L301 HydrophobicContact CD1-CD1 3.72Å; Y292-Y306 VanDerWaalsContact C-CE2 3.45Å; Y292-H309 HydrophobicContact CD1-CB 4.03Å; Y292-H309 AromaticContact CD1-CD2 3.58Å; Y292-H309 AromaticContact CD1-CG 3.64Å; Y292-H309 AromaticContact CD1-NE2 4Å; Y292-H309 HydrophobicContact CD2-CB 3.9Å; Y292-H309 HydrophobicContact CE1-CB 4.22Å; Y292-H309 AromaticContact CE1-CD2 3.58Å; Y292-H309 AromaticContact CE1-CE1 3.45Å; Y292-H309 VanDerWaalsContact CE1-CE1 3.45Å; Y292-H309 WeakPolarHBondContact CE1-CE1 3.29Å; Y292-H309 AromaticContact CE1-CG 3.5Å; Y292-H309 AromaticContact CE1-ND1 3.41Å; Y292-H309 WeakPolarHBondContact CE1-ND1 3.2Å; Y292-H309 AromaticContact CE1-NE2 3.58Å; Y292-H309 HydrophobicContact CE2-CB 4.07Å; Y292-H309 AromaticContact CE2-ND1 3.98Å; Y292-H309 HydrophobicContact CG-CB 3.86Å; Y292-H309 AromaticContact CZ-CE1 3.74Å; Y292-H309 AromaticContact CZ-CG 3.73Å; Y292-H309 AromaticContact CZ-ND1 3.35Å; Y292-L313 HydrophobicContact CD2-CD1 3.92Å; Y292-L313 HydrophobicContact CE2-CD1 4.34Å |
| 293 | M | 86.1 | Confident | 74.1 | Confident | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -50.1 | 175.1 | 179.8 | -170.2 | 73.2 | 0 | 0 | 110.9 | A289 E290 Q295 W296 Q297 Y306 F559 P564 M834 | A289-M293 VanDerWaalsContact O-CB 3.24Å; A289-M293 WeakPolarHBondContact O-CB 3.26Å; A289-M293 PolarHBondContact O-N 2.97Å; E290-M293 WeakPolarHBondContact O-CB 3.16Å; E290-M293 PolarHBondContact O-N 2.88Å; M293-Q295 PolarHBondContact O-N 3.42Å; M293-W296 PolarHBondContact O-N 3.48Å; M293-Q297 WeakPolarHBondContact O-CB 3.38Å; M293-Q297 WeakPolarHBondContact O-CG 3.08Å; M293-Q297 PolarHBondContact O-N 3.38Å; M293-Y306 VanDerWaalsContact CA-OH 3.29Å; M293-Y306 WeakPolarHBondContact CA-OH 3.45Å; M293-Y306 HydrophobicContact CB-CE2 4.32Å; M293-Y306 VanDerWaalsContact CB-OH 3.23Å; M293-Y306 WeakPolarHBondContact CB-OH 3.35Å; M293-F559 HydrophobicContact SD-CE1 4.45Å; M293-P564 HydrophobicContact CE-CG 4.27Å; M293-P564 HydrophobicContact SD-CB 4.49Å; M293-P564 VanDerWaalsContact SD-CD 3.54Å; M293-P564 HydrophobicContact SD-CG 3.67Å; M293-M834 HydrophobicContact CE-CE 4.38Å |
| 294 | L | 71.9 | Confident | 76.2 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | -179.6 | -177.7 | 60.8 | 0 | 0 | 0 | 112.1 | E290 S291 Y292 Q297 R298 I836 | E290-L294 WeakPolarHBondContact O-CB 3.43Å; E290-L294 PolarHBondContact O-N 2.71Å; S291-L294 PolarHBondContact O-N 2.85Å; Y292-L294 VanDerWaalsContact C-N 3.35Å; Y292-L294 PolarHBondContact O-N 3.19Å; L294-Q297 PolarHBondContact O-N 2.94Å; L294-R298 WeakPolarHBondContact O-CG 3.13Å; L294-R298 PolarHBondContact O-N 3.16Å; L294-R298 VanDerWaalsContact O-N 3.09Å; L294-I836 HydrophobicContact CD1-CG2 4.04Å |
| 295 | Q | 76.9 | Confident | 78.7 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.8 | -71 | 179.4 | 53.9 | 0 | 0 | 112.1 | S291 Y292 M293 R298 G299 H300 L301 | S291-Q295 WeakPolarHBondContact O-CG 3.36Å; S291-Q295 PolarHBondContact O-N 3.3Å; S291-Q295 VanDerWaalsContact O-N 3.16Å; Y292-Q295 PolarHBondContact O-N 3.41Å; M293-Q295 PolarHBondContact O-N 3.42Å; Q295-R298 PolarHBondContact O-N 3.05Å; Q295-G299 PolarHBondContact O-N 3.29Å; Q295-H300 HydrophobicContact CB-CB 4.19Å; Q295-H300 WeakPolarHBondContact O-CA 3.48Å; Q295-H300 WeakPolarHBondContact O-CB 3.39Å; Q295-H300 PolarHBondContact O-N 3Å; Q295-L301 HydrophobicContact CB-CD1 3.64Å; Q295-L301 HydrophobicContact CB-CG 3.89Å; Q295-L301 PolarHBondContact O-N 2.98Å |
| 296 | W | 89.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.4 | -45 | 175.7 | 170.2 | 68.5 | 0 | 0 | 0 | 112.6 | Y292 M293 R298 G299 L301 N303 Y306 L497 H498 H563 R566 | Y292-W296 WeakPolarHBondContact O-CB 3.24Å; Y292-W296 PolarHBondContact O-N 3.15Å; M293-W296 PolarHBondContact O-N 3.48Å; W296-R298 PolarHBondContact O-N 3.04Å; W296-G299 PolarHBondContact O-N 2.82Å; W296-L301 HydrophobicContact CB-CB 4.23Å; W296-N303 PolarHBondContact NE1-OD1 3.25Å; W296-Y306 HydrophobicContact CB-CD1 3.82Å; W296-Y306 HydrophobicContact CB-CD2 3.66Å; W296-Y306 HydrophobicContact CB-CE1 4.25Å; W296-Y306 HydrophobicContact CB-CE2 4.16Å; W296-Y306 HydrophobicContact CB-CG 3.49Å; W296-Y306 VanDerWaalsContact CB-CG 3.49Å; W296-Y306 VanDerWaalsContact CD1-CB 3.5Å; W296-Y306 AromaticContact CD1-CD1 3.76Å; W296-Y306 AromaticContact CD1-CG 3.77Å; W296-Y306 AromaticContact CD2-CD1 3.24Å; W296-Y306 HydrophobicContact CD2-CD1 3.24Å; W296-Y306 AromaticContact CD2-CE1 3.51Å; W296-Y306 HydrophobicContact CD2-CE1 3.51Å; W296-Y306 AromaticContact CD2-CG 3.89Å; W296-Y306 HydrophobicContact CD2-CG 3.89Å; W296-Y306 AromaticContact CE2-CD1 3.66Å; W296-Y306 AromaticContact CE3-CD1 3.66Å; W296-Y306 HydrophobicContact CE3-CD1 3.66Å; W296-Y306 AromaticContact CE3-CE1 3.36Å; W296-Y306 HydrophobicContact CE3-CE1 3.36Å; W296-Y306 AromaticContact CG-CD1 3.32Å; W296-Y306 HydrophobicContact CG-CD1 3.32Å; W296-Y306 HydrophobicContact CG-CD2 4.09Å; W296-Y306 AromaticContact CG-CE1 3.93Å; W296-Y306 HydrophobicContact CG-CE1 3.93Å; W296-Y306 AromaticContact CG-CG 3.41Å; W296-Y306 HydrophobicContact CG-CG 3.41Å; W296-Y306 VanDerWaalsContact CG-CG 3.41Å; W296-Y306 HydrophobicContact CH2-CE1 4.48Å; W296-Y306 HydrophobicContact CZ2-CD1 4.35Å; W296-Y306 HydrophobicContact CZ3-CD1 4.36Å; W296-Y306 AromaticContact CZ3-CE1 3.9Å; W296-Y306 HydrophobicContact CZ3-CE1 3.9Å; W296-Y306 AromaticContact NE1-CD1 3.92Å; W296-L497 HydrophobicContact CZ2-CB 4.22Å; W296-L497 HydrophobicContact CZ2-CD2 4.12Å; W296-H498 HydrophobicContact CH2-CB 4.25Å; W296-H563 AromaticContact CZ3-CE1 3.51Å; W296-H563 AromaticContact CZ3-ND1 3.92Å; W296-R566 HydrophobicContact CD2-CG 4.15Å; W296-R566 HydrophobicContact CH2-CB 3.81Å; W296-R566 HydrophobicContact CH2-CG 4.44Å; W296-R566 HydrophobicContact CZ2-CB 3.7Å; W296-R566 HydrophobicContact CZ2-CG 4.01Å; W296-R566 HydrophobicContact CZ3-CB 4.25Å; W296-R566 WeakPolarHBondContact O-CG 3.45Å; W296-R566 PolarHBondContact O-NE 2.77Å; W296-R566 VanDerWaalsContact O-NE 3.09Å |
| 297 | Q | 81.6 | Confident | 83.1 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -39.6 | 176.4 | -77.4 | -170.3 | -69.4 | 0 | 0 | 111.9 | M293 L294 G299 Q565 I567 | M293-Q297 WeakPolarHBondContact O-CB 3.38Å; M293-Q297 WeakPolarHBondContact O-CG 3.08Å; M293-Q297 PolarHBondContact O-N 3.38Å; L294-Q297 PolarHBondContact O-N 2.94Å; Q297-G299 PolarHBondContact O-N 3.34Å; Q297-Q565 PolarHBondContact NE2-O 3.15Å; Q297-I567 HydrophobicContact CB-CD1 4.39Å; Q297-I567 HydrophobicContact CB-CG1 4.35Å; Q297-I567 VanDerWaalsContact O-CB 3.27Å; Q297-I567 WeakPolarHBondContact O-CB 3.3Å; Q297-I567 PolarHBondContact O-N 3.39Å; Q297-I567 VanDerWaalsContact O-N 3.15Å |
| 298 | R | 73.6 | Confident | 84.5 | Confident | 96 Ų | 96 | 38.3 Ų | 38.3 | 36% | 0.362 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.8 | 176.8 | -69.2 | -156.2 | -96.8 | -141.2 | -168.3 | 114.9 | L294 Q295 W296 H300 I836 | L294-R298 WeakPolarHBondContact O-CG 3.13Å; L294-R298 PolarHBondContact O-N 3.16Å; L294-R298 VanDerWaalsContact O-N 3.09Å; Q295-R298 PolarHBondContact O-N 3.05Å; W296-R298 PolarHBondContact O-N 3.04Å; R298-H300 VanDerWaalsContact C-N 3.29Å; R298-H300 PolarHBondContact O-N 3.49Å; R298-I836 PolarHBondContact NH1-O 2.91Å; R298-I836 PolarHBondContact NH2-O 3.34Å |
| 299 | G | 80.9 | Confident | 85.3 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 46% | 0.464 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 11.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q295 W296 Q297 L301 | Q295-G299 PolarHBondContact O-N 3.29Å; W296-G299 PolarHBondContact O-N 2.82Å; Q297-G299 PolarHBondContact O-N 3.34Å; G299-L301 VanDerWaalsContact C-N 3.31Å |
| 300 | H | 81.1 | Confident | 86 | Confident | 132 Ų | 132 | 35.7 Ų | 35.7 | 61% | 0.611 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -72.2 | -27.7 | 172.7 | -61.3 | -51.2 | 0 | 0 | 0 | 112.3 | Q295 R298 | Q295-H300 HydrophobicContact CB-CB 4.19Å; Q295-H300 WeakPolarHBondContact O-CA 3.48Å; Q295-H300 WeakPolarHBondContact O-CB 3.39Å; Q295-H300 PolarHBondContact O-N 3Å; R298-H300 VanDerWaalsContact C-N 3.29Å; R298-H300 PolarHBondContact O-N 3.49Å |
| 301 | L | 87.7 | Confident | 86.9 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -112.4 | 139.7 | 172.5 | -59.8 | 169.4 | 0 | 0 | 0 | 110 | Y292 Q295 W296 G299 Q305 R566 | Y292-L301 HydrophobicContact CD1-CD1 3.72Å; Q295-L301 HydrophobicContact CB-CD1 3.64Å; Q295-L301 HydrophobicContact CB-CG 3.89Å; Q295-L301 PolarHBondContact O-N 2.98Å; W296-L301 HydrophobicContact CB-CB 4.23Å; G299-L301 VanDerWaalsContact C-N 3.31Å; L301-Q305 HydrophobicContact CB-CB 4.36Å; L301-Q305 HydrophobicContact CD2-CB 4.29Å; L301-R566 PolarHBondContact O-NH2 3.44Å |
| 302 | S | 93.9 | Very high | 87.5 | Confident | 29 Ų | 29 | 31 Ų | 31 | 20% | 0.203 | 16% | 0.156 | C | C | . | . | trans | -66.7 | 163.1 | 166.5 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | Y304 Q305 Y306 E489 | S302-Y304 VanDerWaalsContact C-N 3.26Å; S302-Y304 PolarHBondContact O-N 2.93Å; S302-Q305 PolarHBondContact O-N 3.37Å; S302-Q305 WeakPolarHBondContact OG-CB 3.3Å; S302-Q305 VanDerWaalsContact OG-CD 3.28Å; S302-Q305 WeakPolarHBondContact OG-CG 3.33Å; S302-Q305 PolarHBondContact OG-N 2.86Å; S302-Q305 VanDerWaalsContact OG-N 3.14Å; S302-Q305 PolarHBondContact OG-OE1 3.36Å; S302-Y306 WeakPolarHBondContact O-CB 3.43Å; S302-Y306 PolarHBondContact O-N 3.33Å; S302-E489 WeakPolarHBondContact CB-OE1 3.22Å; S302-E489 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 303 | N | 96.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 173.8 | -69.5 | -21.1 | 0 | 0 | 0 | 110.4 | W296 Y306 L307 L488 E489 S494 L497 R566 | W296-N303 PolarHBondContact NE1-OD1 3.25Å; N303-Y306 PolarHBondContact O-N 3.07Å; N303-L307 WeakPolarHBondContact O-CB 3.42Å; N303-L307 VanDerWaalsContact O-CG 3.31Å; N303-L307 WeakPolarHBondContact O-CG 3.33Å; N303-L307 PolarHBondContact O-N 2.68Å; N303-L488 HydrophobicContact CB-CD1 4.21Å; N303-L488 HydrophobicContact CB-CG 4.14Å; N303-L488 PolarHBondContact ND2-O 2.84Å; N303-E489 PolarHBondContact N-OE1 3.22Å; N303-E489 VanDerWaalsContact N-OE1 3.13Å; N303-E489 PolarHBondContact N-OE2 3.16Å; N303-S494 PolarHBondContact ND2-OG 3.02Å; N303-L497 HydrophobicContact CB-CD2 3.75Å; N303-R566 PolarHBondContact OD1-NH1 2.89Å |
| 304 | Y | 95.3 | Very high | 88.2 | Confident | 57 Ų | 57 | 31.6 Ų | 31.6 | 22% | 0.224 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.2 | -51.8 | 175.9 | -178.9 | -89 | 0 | 0 | 0 | 112.8 | S302 Y306 L307 L308 F327 P438 L488 E489 | S302-Y304 VanDerWaalsContact C-N 3.26Å; S302-Y304 PolarHBondContact O-N 2.93Å; Y304-Y306 VanDerWaalsContact C-N 3.32Å; Y304-Y306 PolarHBondContact O-N 3.38Å; Y304-L307 PolarHBondContact O-N 3.44Å; Y304-L308 HydrophobicContact CE1-CD2 4.47Å; Y304-L308 PolarHBondContact O-N 3.13Å; Y304-F327 AromaticContact CD2-CE1 3.56Å; Y304-F327 HydrophobicContact CD2-CE1 3.56Å; Y304-F327 HydrophobicContact CD2-CZ 4.04Å; Y304-F327 AromaticContact CE2-CE1 3.9Å; Y304-F327 HydrophobicContact CE2-CE1 3.9Å; Y304-F327 HydrophobicContact CE2-CZ 4.1Å; Y304-F327 HydrophobicContact CG-CE1 4.29Å; Y304-P438 HydrophobicContact CE2-CB 4.41Å; Y304-L488 HydrophobicContact CD2-CD2 4.09Å; Y304-E489 WeakPolarHBondContact CB-OE1 3.41Å; Y304-E489 PolarHBondContact N-OE1 3.25Å |
| 305 | Q | 92 | Very high | 89.1 | Confident | 75 Ų | 75 | 30.6 Ų | 30.6 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.9 | -75.2 | 164.9 | -49.4 | 0 | 0 | 111.1 | L301 S302 L308 H309 | L301-Q305 HydrophobicContact CB-CB 4.36Å; L301-Q305 HydrophobicContact CD2-CB 4.29Å; S302-Q305 PolarHBondContact O-N 3.37Å; S302-Q305 WeakPolarHBondContact OG-CB 3.3Å; S302-Q305 VanDerWaalsContact OG-CD 3.28Å; S302-Q305 WeakPolarHBondContact OG-CG 3.33Å; S302-Q305 PolarHBondContact OG-N 2.86Å; S302-Q305 VanDerWaalsContact OG-N 3.14Å; S302-Q305 PolarHBondContact OG-OE1 3.36Å; Q305-L308 WeakPolarHBondContact O-CB 3.49Å; Q305-L308 PolarHBondContact O-N 3.34Å; Q305-H309 PolarHBondContact O-CD2 3.18Å; Q305-H309 PolarHBondContact O-N 3.05Å |
| 306 | Y | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | -179.5 | -174.6 | -129.7 | 0 | 0 | 0 | 112.4 | Y292 M293 W296 S302 N303 Y304 L308 H309 L310 I501 H563 | Y292-Y306 VanDerWaalsContact C-CE2 3.45Å; M293-Y306 VanDerWaalsContact CA-OH 3.29Å; M293-Y306 WeakPolarHBondContact CA-OH 3.45Å; M293-Y306 HydrophobicContact CB-CE2 4.32Å; M293-Y306 VanDerWaalsContact CB-OH 3.23Å; M293-Y306 WeakPolarHBondContact CB-OH 3.35Å; W296-Y306 HydrophobicContact CB-CD1 3.82Å; W296-Y306 HydrophobicContact CB-CD2 3.66Å; W296-Y306 HydrophobicContact CB-CE1 4.25Å; W296-Y306 HydrophobicContact CB-CE2 4.16Å; W296-Y306 HydrophobicContact CB-CG 3.49Å; W296-Y306 VanDerWaalsContact CB-CG 3.49Å; W296-Y306 VanDerWaalsContact CD1-CB 3.5Å; W296-Y306 AromaticContact CD1-CD1 3.76Å; W296-Y306 AromaticContact CD1-CG 3.77Å; W296-Y306 AromaticContact CD2-CD1 3.24Å; W296-Y306 HydrophobicContact CD2-CD1 3.24Å; W296-Y306 AromaticContact CD2-CE1 3.51Å; W296-Y306 HydrophobicContact CD2-CE1 3.51Å; W296-Y306 AromaticContact CD2-CG 3.89Å; W296-Y306 HydrophobicContact CD2-CG 3.89Å; W296-Y306 AromaticContact CE2-CD1 3.66Å; W296-Y306 AromaticContact CE3-CD1 3.66Å; W296-Y306 HydrophobicContact CE3-CD1 3.66Å; W296-Y306 AromaticContact CE3-CE1 3.36Å; W296-Y306 HydrophobicContact CE3-CE1 3.36Å; W296-Y306 AromaticContact CG-CD1 3.32Å; W296-Y306 HydrophobicContact CG-CD1 3.32Å; W296-Y306 HydrophobicContact CG-CD2 4.09Å; W296-Y306 AromaticContact CG-CE1 3.93Å; W296-Y306 HydrophobicContact CG-CE1 3.93Å; W296-Y306 AromaticContact CG-CG 3.41Å; W296-Y306 HydrophobicContact CG-CG 3.41Å; W296-Y306 VanDerWaalsContact CG-CG 3.41Å; W296-Y306 HydrophobicContact CH2-CE1 4.48Å; W296-Y306 HydrophobicContact CZ2-CD1 4.35Å; W296-Y306 HydrophobicContact CZ3-CD1 4.36Å; W296-Y306 AromaticContact CZ3-CE1 3.9Å; W296-Y306 HydrophobicContact CZ3-CE1 3.9Å; W296-Y306 AromaticContact NE1-CD1 3.92Å; S302-Y306 WeakPolarHBondContact O-CB 3.43Å; S302-Y306 PolarHBondContact O-N 3.33Å; N303-Y306 PolarHBondContact O-N 3.07Å; Y304-Y306 VanDerWaalsContact C-N 3.32Å; Y304-Y306 PolarHBondContact O-N 3.38Å; Y306-L308 VanDerWaalsContact C-N 3.27Å; Y306-L308 PolarHBondContact O-N 3.3Å; Y306-H309 PolarHBondContact O-N 3.22Å; Y306-L310 HydrophobicContact CD1-CD1 4.2Å; Y306-L310 HydrophobicContact CD2-CG 4.35Å; Y306-L310 HydrophobicContact CE1-CD1 3.74Å; Y306-L310 HydrophobicContact CE1-CG 4.28Å; Y306-L310 HydrophobicContact CE2-CD1 4.31Å; Y306-L310 HydrophobicContact CE2-CD2 3.85Å; Y306-L310 HydrophobicContact CE2-CG 3.95Å; Y306-L310 WeakPolarHBondContact O-CG 3.43Å; Y306-L310 PolarHBondContact O-N 3.31Å; Y306-I501 HydrophobicContact CD1-CD1 4.1Å; Y306-I501 HydrophobicContact CE1-CD1 3.68Å; Y306-H563 AromaticContact CE1-CE1 3.78Å; Y306-H563 AromaticContact CE1-NE2 3.83Å; Y306-H563 AromaticContact CZ-CE1 3.98Å; Y306-H563 AromaticContact CZ-NE2 3.74Å; Y306-H563 PolarHBondContact OH-CE1 2.83Å; Y306-H563 VanDerWaalsContact OH-CE1 3.29Å; Y306-H563 PolarHBondContact OH-NE2 3.48Å |
| 307 | L | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.8 | -38.6 | 174 | -73.4 | 175.4 | 0 | 0 | 0 | 112.2 | N303 Y304 L310 N311 F327 P328 L488 L497 W500 I501 | N303-L307 WeakPolarHBondContact O-CB 3.42Å; N303-L307 VanDerWaalsContact O-CG 3.31Å; N303-L307 WeakPolarHBondContact O-CG 3.33Å; N303-L307 PolarHBondContact O-N 2.68Å; Y304-L307 PolarHBondContact O-N 3.44Å; L307-L310 PolarHBondContact O-N 2.86Å; L307-N311 WeakPolarHBondContact O-CB 3.33Å; L307-N311 PolarHBondContact O-N 2.88Å; L307-N311 PolarHBondContact O-ND2 2.79Å; L307-F327 HydrophobicContact CB-CD1 4.4Å; L307-F327 HydrophobicContact CB-CE1 3.77Å; L307-F327 HydrophobicContact CB-CE2 3.88Å; L307-F327 HydrophobicContact CB-CZ 3.47Å; L307-F327 VanDerWaalsContact CB-CZ 3.47Å; L307-F327 HydrophobicContact CD1-CD1 3.71Å; L307-F327 HydrophobicContact CD1-CE1 3.69Å; L307-F327 HydrophobicContact CD1-CG 4.32Å; L307-F327 HydrophobicContact CD1-CZ 4.26Å; L307-F327 HydrophobicContact CG-CE1 4.41Å; L307-P328 HydrophobicContact CD1-CG 4.43Å; L307-L488 HydrophobicContact CD1-CD1 4.03Å; L307-L497 HydrophobicContact CD1-CD1 4.3Å; L307-L497 HydrophobicContact CD1-CD2 4.27Å; L307-L497 HydrophobicContact CD2-CD1 4.31Å; L307-L497 HydrophobicContact CD2-CD2 4.38Å; L307-L497 HydrophobicContact CG-CD2 4.19Å; L307-W500 HydrophobicContact CD2-CE3 4.11Å; L307-W500 HydrophobicContact CD2-CZ3 3.66Å; L307-I501 HydrophobicContact CD2-CG1 4.33Å |
| 308 | L | 91.5 | Very high | 90.2 | Very high | 17 Ų | 17 | 26.7 Ų | 26.7 | 9% | 0.089 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.7 | -174.6 | 62.3 | 0 | 0 | 0 | 111.7 | F255 Y304 Q305 Y306 N311 N312 | F255-L308 HydrophobicContact CD2-CD1 3.8Å; F255-L308 HydrophobicContact CE2-CD1 4.12Å; Y304-L308 HydrophobicContact CE1-CD2 4.47Å; Y304-L308 PolarHBondContact O-N 3.13Å; Q305-L308 WeakPolarHBondContact O-CB 3.49Å; Q305-L308 PolarHBondContact O-N 3.34Å; Y306-L308 VanDerWaalsContact C-N 3.27Å; Y306-L308 PolarHBondContact O-N 3.3Å; L308-N311 PolarHBondContact O-N 3.11Å; L308-N312 PolarHBondContact O-N 3.3Å; L308-N312 PolarHBondContact O-ND2 3.25Å |
| 309 | H | 89.9 | Confident | 91 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 7% | 0.065 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64 | -42.4 | 175.2 | -68.2 | -59 | 0 | 0 | 0 | 112.3 | Y292 Q305 Y306 N312 L313 | Y292-H309 HydrophobicContact CD1-CB 4.03Å; Y292-H309 AromaticContact CD1-CD2 3.58Å; Y292-H309 AromaticContact CD1-CG 3.64Å; Y292-H309 AromaticContact CD1-NE2 4Å; Y292-H309 HydrophobicContact CD2-CB 3.9Å; Y292-H309 HydrophobicContact CE1-CB 4.22Å; Y292-H309 AromaticContact CE1-CD2 3.58Å; Y292-H309 AromaticContact CE1-CE1 3.45Å; Y292-H309 VanDerWaalsContact CE1-CE1 3.45Å; Y292-H309 WeakPolarHBondContact CE1-CE1 3.29Å; Y292-H309 AromaticContact CE1-CG 3.5Å; Y292-H309 AromaticContact CE1-ND1 3.41Å; Y292-H309 WeakPolarHBondContact CE1-ND1 3.2Å; Y292-H309 AromaticContact CE1-NE2 3.58Å; Y292-H309 HydrophobicContact CE2-CB 4.07Å; Y292-H309 AromaticContact CE2-ND1 3.98Å; Y292-H309 HydrophobicContact CG-CB 3.86Å; Y292-H309 AromaticContact CZ-CE1 3.74Å; Y292-H309 AromaticContact CZ-CG 3.73Å; Y292-H309 AromaticContact CZ-ND1 3.35Å; Q305-H309 PolarHBondContact O-CD2 3.18Å; Q305-H309 PolarHBondContact O-N 3.05Å; Y306-H309 PolarHBondContact O-N 3.22Å; H309-N312 CarbonylContact O-C 3.54Å; H309-N312 PolarHBondContact O-N 3.41Å; H309-L313 WeakPolarHBondContact O-CG 3.48Å; H309-L313 PolarHBondContact O-N 3.01Å |
| 310 | L | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.2 | -67.6 | -175.6 | 0 | 0 | 0 | 111.9 | Y306 L307 N312 L313 A314 I501 F505 L558 F559 | Y306-L310 HydrophobicContact CD1-CD1 4.2Å; Y306-L310 HydrophobicContact CD2-CG 4.35Å; Y306-L310 HydrophobicContact CE1-CD1 3.74Å; Y306-L310 HydrophobicContact CE1-CG 4.28Å; Y306-L310 HydrophobicContact CE2-CD1 4.31Å; Y306-L310 HydrophobicContact CE2-CD2 3.85Å; Y306-L310 HydrophobicContact CE2-CG 3.95Å; Y306-L310 WeakPolarHBondContact O-CG 3.43Å; Y306-L310 PolarHBondContact O-N 3.31Å; L307-L310 PolarHBondContact O-N 2.86Å; L310-N312 VanDerWaalsContact C-N 3.31Å; L310-N312 PolarHBondContact O-N 3.25Å; L310-L313 PolarHBondContact O-N 3.34Å; L310-A314 VanDerWaalsContact O-CB 3.23Å; L310-A314 WeakPolarHBondContact O-CB 3.5Å; L310-A314 PolarHBondContact O-N 3.17Å; L310-I501 HydrophobicContact CD1-CD1 3.82Å; L310-I501 HydrophobicContact CD1-CG1 3.96Å; L310-I501 HydrophobicContact CD1-CG2 3.79Å; L310-F505 HydrophobicContact CB-CD2 4.2Å; L310-F505 HydrophobicContact CB-CE2 4.13Å; L310-F505 HydrophobicContact CB-CZ 4.4Å; L310-F505 HydrophobicContact CD1-CD2 4.15Å; L310-L558 HydrophobicContact CB-CD1 4.23Å; L310-L558 HydrophobicContact CD2-CD1 3.8Å; L310-L558 WeakPolarHBondContact O-CD1 3.47Å; L310-F559 HydrophobicContact CD2-CE2 3.79Å; L310-F559 HydrophobicContact CD2-CZ 3.87Å |
| 311 | N | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.5 | -46.3 | 173.7 | -86.1 | -77.7 | 0 | 0 | 0 | 111 | L307 L308 L313 A314 R316 P325 V326 | L307-N311 WeakPolarHBondContact O-CB 3.33Å; L307-N311 PolarHBondContact O-N 2.88Å; L307-N311 PolarHBondContact O-ND2 2.79Å; L308-N311 PolarHBondContact O-N 3.11Å; N311-L313 PolarHBondContact O-N 3.29Å; N311-A314 CarbonylContact O-C 3.58Å; N311-A314 PolarHBondContact O-N 3.41Å; N311-R316 HydrophobicContact CB-CB 3.95Å; N311-R316 HydrophobicContact CB-CG 4.16Å; N311-R316 WeakPolarHBondContact O-CB 3.38Å; N311-R316 WeakPolarHBondContact O-CG 3.32Å; N311-R316 PolarHBondContact O-N 3.07Å; N311-R316 WeakPolarHBondContact OD1-CG 3.41Å; N311-P325 HydrophobicContact CB-CB 3.96Å; N311-P325 HydrophobicContact CB-CG 4.43Å; N311-P325 VanDerWaalsContact OD1-CA 3.26Å; N311-P325 WeakPolarHBondContact OD1-CA 3.32Å; N311-V326 PolarHBondContact ND2-O 3.42Å; N311-V326 PolarHBondContact OD1-N 3.47Å |
| 312 | N | 89.1 | Confident | 92.1 | Very high | 15 Ų | 15 | 14.8 Ų | 14.8 | 8% | 0.08 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.8 | -36.6 | 175.8 | -82.6 | -36.2 | 0 | 0 | 0 | 113.1 | Y235 R237 L308 H309 L310 A314 | Y235-N312 HydrophobicContact CE1-CB 4.33Å; R237-N312 PolarHBondContact NH1-O 3.07Å; R237-N312 PolarHBondContact NH2-OD1 3.23Å; L308-N312 PolarHBondContact O-N 3.3Å; L308-N312 PolarHBondContact O-ND2 3.25Å; H309-N312 CarbonylContact O-C 3.54Å; H309-N312 PolarHBondContact O-N 3.41Å; L310-N312 VanDerWaalsContact C-N 3.31Å; L310-N312 PolarHBondContact O-N 3.25Å; N312-A314 VanDerWaalsContact C-N 3.28Å; N312-A314 PolarHBondContact O-N 2.97Å |
| 313 | L | 89.4 | Confident | 91.9 | Very high | 43 Ų | 43 | 13.4 Ų | 13.4 | 23% | 0.225 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -73.2 | -26.3 | 175.5 | -70.2 | 174 | 0 | 0 | 0 | 112.1 | Y235 A289 Y292 H309 L310 N311 D315 L558 | Y235-L313 HydrophobicContact CE1-CD2 4.4Å; A289-L313 VanDerWaalsContact CA-CD1 3.45Å; A289-L313 HydrophobicContact CB-CD1 3.83Å; Y292-L313 HydrophobicContact CD2-CD1 3.92Å; Y292-L313 HydrophobicContact CE2-CD1 4.34Å; H309-L313 WeakPolarHBondContact O-CG 3.48Å; H309-L313 PolarHBondContact O-N 3.01Å; L310-L313 PolarHBondContact O-N 3.34Å; N311-L313 PolarHBondContact O-N 3.29Å; L313-D315 VanDerWaalsContact C-N 3.28Å; L313-D315 PolarHBondContact O-N 3.43Å; L313-L558 HydrophobicContact CB-CD1 3.87Å; L313-L558 HydrophobicContact CB-CD2 3.94Å |
| 314 | A | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 28.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L310 N311 N312 R316 F505 P555 T556 L558 | L310-A314 VanDerWaalsContact O-CB 3.23Å; L310-A314 WeakPolarHBondContact O-CB 3.5Å; L310-A314 PolarHBondContact O-N 3.17Å; N311-A314 CarbonylContact O-C 3.58Å; N311-A314 PolarHBondContact O-N 3.41Å; N312-A314 VanDerWaalsContact C-N 3.28Å; N312-A314 PolarHBondContact O-N 2.97Å; A314-R316 PolarHBondContact O-N 2.69Å; A314-F505 HydrophobicContact CB-CD1 3.5Å; A314-F505 HydrophobicContact CB-CE1 3.53Å; A314-P555 HydrophobicContact CB-CB 3.63Å; A314-T556 PolarHBondContact O-N 2.96Å; A314-L558 HydrophobicContact CB-CD1 4.1Å; A314-L558 HydrophobicContact CB-CD2 4.25Å; A314-L558 HydrophobicContact CB-CG 4.14Å |
| 315 | D | 91 | Very high | 91.8 | Very high | 21 Ų | 21 | 10.8 Ų | 10.8 | 11% | 0.112 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 17.8 | 179.5 | -64.5 | -54.4 | 0 | 0 | 0 | 116.2 | R237 R238 L313 Q323 T556 | R237-D315 WeakPolarHBondContact CA-OD1 3.41Å; R238-D315 HydrophobicContact CB-CB 4.37Å; R238-D315 WeakPolarHBondContact CD-OD2 3.49Å; R238-D315 WeakPolarHBondContact CG-OD2 3.36Å; R238-D315 IonicContact CZ-OD2 3.56Å; R238-D315 IonicContact NE-OD2 2.78Å; R238-D315 PolarHBondContact NE-OD2 3.14Å; R238-D315 IonicContact NH2-OD2 3.62Å; L313-D315 VanDerWaalsContact C-N 3.28Å; L313-D315 PolarHBondContact O-N 3.43Å; D315-Q323 PolarHBondContact O-OE1 2.81Å; D315-T556 PolarHBondContact OD2-OG1 2.92Å |
| 316 | R | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | trans | -81.1 | 141.4 | 176.3 | -54.3 | -66.4 | -156.6 | -176.4 | 6.9 | 111.3 | R237 N311 A314 Q323 P325 Q553 P555 | R237-R316 PolarHBondContact NH2-O 3.09Å; N311-R316 HydrophobicContact CB-CB 3.95Å; N311-R316 HydrophobicContact CB-CG 4.16Å; N311-R316 WeakPolarHBondContact O-CB 3.38Å; N311-R316 WeakPolarHBondContact O-CG 3.32Å; N311-R316 PolarHBondContact O-N 3.07Å; N311-R316 WeakPolarHBondContact OD1-CG 3.41Å; A314-R316 PolarHBondContact O-N 2.69Å; R316-Q323 CarbonylContact C-O 3.58Å; R316-Q323 WeakPolarHBondContact CA-O 3.36Å; R316-Q323 WeakPolarHBondContact CB-O 3.38Å; R316-Q323 VanDerWaalsContact CD-O 3.22Å; R316-Q323 WeakPolarHBondContact CD-O 3.42Å; R316-P325 HydrophobicContact CB-CB 4.41Å; R316-P325 HydrophobicContact CB-CG 3.95Å; R316-Q553 PolarHBondContact NH1-O 3.32Å; R316-Q553 PolarHBondContact NH2-O 2.73Å; R316-P555 VanDerWaalsContact NH2-CG 3.25Å | ||
| 317 | S | 90.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 7.3 Ų | 7.3 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | trans | -146.8 | 144.5 | -179.9 | 171.2 | 0 | 0 | 0 | 0 | 111.8 | E247 N319 D320 Q323 | E247-S317 PolarHBondContact OE1-OG 3.41Å; E247-S317 PolarHBondContact OE2-OG 3.43Å; S317-N319 PolarHBondContact O-N 3.36Å; S317-N319 PolarHBondContact OG-N 3.25Å; S317-D320 PolarHBondContact O-N 2.89Å; S317-Q323 PolarHBondContact N-O 2.99Å | ||
| 318 | G | 88.9 | Confident | 92.3 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F3 | F3-G318 WeakPolarHBondContact CB-O 3.43Å; F3-G318 WeakPolarHBondContact CG-O 3.17Å |
| 319 | N | 89.8 | Confident | 92.6 | Very high | 20 Ų | 20 | 6.6 Ų | 6.6 | 11% | 0.107 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -11.5 | -179.8 | -69.8 | -59.6 | 0 | 0 | 0 | 113.6 | T195 P196 E247 S257 Y260 S317 | T195-N319 CarbonylContact C-O 3.58Å; P196-N319 WeakPolarHBondContact CA-O 3.19Å; P196-N319 VanDerWaalsContact N-O 3.12Å; E247-N319 PolarHBondContact OE1-ND2 3.25Å; S257-N319 PolarHBondContact N-ND2 2.67Å; S257-N319 PolarHBondContact OG-ND2 3.02Å; Y260-N319 HydrophobicContact CD1-CB 3.73Å; Y260-N319 HydrophobicContact CG-CB 4.47Å; S317-N319 PolarHBondContact O-N 3.36Å; S317-N319 PolarHBondContact OG-N 3.25Å |
| 320 | D | 90.9 | Very high | 93 | Very high | 12 Ų | 12 | 6 Ų | 6 | 6% | 0.064 | 3% | 0.032 | C | C | . | . | trans | -126.2 | 104.3 | 174.8 | -179.8 | -5.3 | 0 | 0 | 0 | 110 | H239 Y260 S317 S322 Q323 Y324 | H239-D320 IonicContact ND1-OD2 2.59Å; Y260-D320 HydrophobicContact CE1-CB 3.95Å; S317-D320 PolarHBondContact O-N 2.89Å; D320-S322 VanDerWaalsContact CG-OG 3.3Å; D320-S322 PolarHBondContact O-N 2.86Å; D320-S322 WeakPolarHBondContact OD1-CB 3.44Å; D320-S322 PolarHBondContact OD1-N 2.97Å; D320-S322 PolarHBondContact OD1-OG 3.49Å; D320-S322 PolarHBondContact OD2-OG 2.92Å; D320-Q323 HydrophobicContact CB-CB 4.48Å; D320-Q323 CarbonylContact O-C 3.57Å; D320-Q323 WeakPolarHBondContact O-CA 3.47Å; D320-Q323 PolarHBondContact O-N 2.81Å; D320-Q323 PolarHBondContact OD2-NE2 3.15Å; D320-Y324 PolarHBondContact O-N 3.13Å; D320-Y324 VanDerWaalsContact O-N 3.13Å | ||
| 321 | L | 91.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | G | 310 helix | trans | -65.7 | -21.3 | -177.5 | -56.4 | -170.6 | 0 | 0 | 0 | 113.6 | F3 P196 L197 Q323 Y324 P386 V389 L390 | F3-L321 HydrophobicContact CD1-CD2 3.9Å; F3-L321 HydrophobicContact CE1-CD2 3.52Å; F3-L321 HydrophobicContact CZ-CD1 4.4Å; F3-L321 HydrophobicContact CZ-CD2 3.94Å; P196-L321 HydrophobicContact CB-CD1 4.17Å; P196-L321 HydrophobicContact CB-CD2 4.05Å; P196-L321 HydrophobicContact CB-CG 3.88Å; L197-L321 HydrophobicContact CD1-CD1 4.47Å; L197-L321 HydrophobicContact CD2-CB 4.44Å; L197-L321 HydrophobicContact CD2-CD1 3.96Å; L197-L321 HydrophobicContact CG-CD1 3.85Å; L321-Q323 PolarHBondContact O-N 2.86Å; L321-Y324 HydrophobicContact CD2-CD2 3.77Å; L321-Y324 HydrophobicContact CD2-CE2 4.06Å; L321-P386 HydrophobicContact CB-CB 3.97Å; L321-P386 HydrophobicContact CB-CG 4.33Å; L321-V389 HydrophobicContact CD2-CG1 4.17Å; L321-L390 HydrophobicContact CD1-CD1 3.95Å; L321-L390 HydrophobicContact CD1-CD2 3.88Å; L321-L390 HydrophobicContact CD1-CG 3.87Å |
| 322 | S | 90 | Very high | 93.4 | Very high | 4 Ų | 4 | 7.6 Ų | 7.6 | 3% | 0.028 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -73.2 | -17.7 | 174.7 | 74.9 | 0 | 0 | 0 | 0 | 112.2 | D320 L549 Q553 | D320-S322 VanDerWaalsContact CG-OG 3.3Å; D320-S322 PolarHBondContact O-N 2.86Å; D320-S322 WeakPolarHBondContact OD1-CB 3.44Å; D320-S322 PolarHBondContact OD1-N 2.97Å; D320-S322 PolarHBondContact OD1-OG 3.49Å; D320-S322 PolarHBondContact OD2-OG 2.92Å; S322-L549 VanDerWaalsContact CB-O 3.31Å; S322-L549 WeakPolarHBondContact CB-O 3.41Å; S322-Q553 PolarHBondContact O-N 3.21Å; S322-Q553 PolarHBondContact OG-NE2 2.89Å |
| 323 | Q | 90.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -124.9 | 33.6 | 177.8 | -61 | -179.4 | 75.9 | 0 | 0 | 111.4 | R238 D315 R316 S317 D320 L321 Q553 | R238-Q323 PolarHBondContact O-NE2 2.89Å; R238-Q323 PolarHBondContact O-OE1 3.25Å; D315-Q323 PolarHBondContact O-OE1 2.81Å; R316-Q323 CarbonylContact C-O 3.58Å; R316-Q323 WeakPolarHBondContact CA-O 3.36Å; R316-Q323 WeakPolarHBondContact CB-O 3.38Å; R316-Q323 VanDerWaalsContact CD-O 3.22Å; R316-Q323 WeakPolarHBondContact CD-O 3.42Å; S317-Q323 PolarHBondContact N-O 2.99Å; D320-Q323 HydrophobicContact CB-CB 4.48Å; D320-Q323 CarbonylContact O-C 3.57Å; D320-Q323 WeakPolarHBondContact O-CA 3.47Å; D320-Q323 PolarHBondContact O-N 2.81Å; D320-Q323 PolarHBondContact OD2-NE2 3.15Å; L321-Q323 PolarHBondContact O-N 2.86Å; Q323-Q553 HydrophobicContact CG-CB 4.18Å |
| 324 | Y | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -64.7 | 142.7 | -179.6 | -153.9 | -103.7 | 0 | 0 | 0 | 111.1 | F3 F255 D320 L321 V326 S384 V389 I437 D439 | F3-Y324 AromaticContact CD1-CE2 3.61Å; F3-Y324 HydrophobicContact CD1-CE2 3.61Å; F3-Y324 HydrophobicContact CE1-CE2 4.28Å; F255-Y324 HydrophobicContact CE1-CE1 4.48Å; F255-Y324 AromaticContact CE1-CE2 3.92Å; F255-Y324 HydrophobicContact CE1-CE2 3.92Å; F255-Y324 AromaticContact CE1-CZ 3.67Å; F255-Y324 VanDerWaalsContact CE1-OH 3.31Å; F255-Y324 WeakPolarHBondContact CE1-OH 3.31Å; F255-Y324 AromaticContact CZ-CE1 3.98Å; F255-Y324 HydrophobicContact CZ-CE1 3.98Å; F255-Y324 AromaticContact CZ-CE2 4Å; F255-Y324 HydrophobicContact CZ-CE2 4Å; F255-Y324 AromaticContact CZ-CZ 3.61Å; D320-Y324 PolarHBondContact O-N 3.13Å; D320-Y324 VanDerWaalsContact O-N 3.13Å; L321-Y324 HydrophobicContact CD2-CD2 3.77Å; L321-Y324 HydrophobicContact CD2-CE2 4.06Å; Y324-V326 WeakPolarHBondContact O-CG2 3.46Å; Y324-S384 PolarHBondContact O-OG 3.45Å; Y324-V389 VanDerWaalsContact CB-CG2 3.49Å; Y324-V389 HydrophobicContact CD1-CG1 3.84Å; Y324-V389 HydrophobicContact CD1-CG2 3.86Å; Y324-V389 HydrophobicContact CD2-CG1 4.04Å; Y324-V389 HydrophobicContact CE1-CG1 4.04Å; Y324-V389 HydrophobicContact CE2-CG1 4.24Å; Y324-V389 HydrophobicContact CG-CB 4.46Å; Y324-V389 HydrophobicContact CG-CG1 3.81Å; Y324-V389 HydrophobicContact CG-CG2 3.76Å; Y324-I437 HydrophobicContact CD1-CB 4.25Å; Y324-I437 HydrophobicContact CD1-CG2 3.79Å; Y324-I437 HydrophobicContact CE1-CB 3.97Å; Y324-I437 HydrophobicContact CE1-CG2 3.94Å; Y324-D439 PolarHBondContact OH-OD2 2.83Å | ||
| 325 | P | 94.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.013 | 8% | 0.075 | C | C | . | . | trans | -54.2 | 140.5 | 176.3 | -32.8 | 41.1 | 0 | 0 | 0 | 113.3 | F255 N311 R316 P438 | F255-P325 HydrophobicContact CE2-CB 3.96Å; F255-P325 HydrophobicContact CE2-CG 3.55Å; F255-P325 HydrophobicContact CZ-CB 4.28Å; F255-P325 HydrophobicContact CZ-CG 3.71Å; N311-P325 HydrophobicContact CB-CB 3.96Å; N311-P325 HydrophobicContact CB-CG 4.43Å; N311-P325 VanDerWaalsContact OD1-CA 3.26Å; N311-P325 WeakPolarHBondContact OD1-CA 3.32Å; R316-P325 HydrophobicContact CB-CB 4.41Å; R316-P325 HydrophobicContact CB-CG 3.95Å; P325-P438 HydrophobicContact CB-CG 3.74Å; P325-P438 WeakPolarHBondContact O-CD 3.45Å | ||
| 326 | V | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | trans | -116.1 | 131.7 | -172.9 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | N311 Y324 Y383 S384 E435 W500 | N311-V326 PolarHBondContact ND2-O 3.42Å; N311-V326 PolarHBondContact OD1-N 3.47Å; Y324-V326 WeakPolarHBondContact O-CG2 3.46Å; V326-Y383 HydrophobicContact CG1-CD2 3.79Å; V326-Y383 HydrophobicContact CG1-CE2 4Å; V326-Y383 HydrophobicContact CG2-CD2 4.29Å; V326-Y383 HydrophobicContact CG2-CE2 4.11Å; V326-S384 VanDerWaalsContact CG2-CB 3.42Å; V326-E435 HydrophobicContact CG1-CB 3.7Å; V326-E435 HydrophobicContact CG1-CG 4.34Å; V326-W500 HydrophobicContact CG1-CH2 4.26Å; V326-W500 HydrophobicContact CG1-CZ2 4.13Å | ||
| 327 | F | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -125.7 | 147.7 | 176 | -88.7 | -122.4 | 0 | 0 | 0 | 109.8 | Y304 L307 L436 P438 Y441 L488 | Y304-F327 AromaticContact CD2-CE1 3.56Å; Y304-F327 HydrophobicContact CD2-CE1 3.56Å; Y304-F327 HydrophobicContact CD2-CZ 4.04Å; Y304-F327 AromaticContact CE2-CE1 3.9Å; Y304-F327 HydrophobicContact CE2-CE1 3.9Å; Y304-F327 HydrophobicContact CE2-CZ 4.1Å; Y304-F327 HydrophobicContact CG-CE1 4.29Å; L307-F327 HydrophobicContact CB-CD1 4.4Å; L307-F327 HydrophobicContact CB-CE1 3.77Å; L307-F327 HydrophobicContact CB-CE2 3.88Å; L307-F327 HydrophobicContact CB-CZ 3.47Å; L307-F327 VanDerWaalsContact CB-CZ 3.47Å; L307-F327 HydrophobicContact CD1-CD1 3.71Å; L307-F327 HydrophobicContact CD1-CE1 3.69Å; L307-F327 HydrophobicContact CD1-CG 4.32Å; L307-F327 HydrophobicContact CD1-CZ 4.26Å; L307-F327 HydrophobicContact CG-CE1 4.41Å; F327-L436 PolarHBondContact N-O 2.73Å; F327-L436 CarbonylContact O-C 3.55Å; F327-L436 WeakPolarHBondContact O-CA 3.2Å; F327-L436 WeakPolarHBondContact O-CB 3.37Å; F327-L436 PolarHBondContact O-N 3.37Å; F327-L436 VanDerWaalsContact O-O 3.09Å; F327-P438 HydrophobicContact CD2-CB 4.08Å; F327-P438 HydrophobicContact CD2-CG 3.64Å; F327-P438 HydrophobicContact CE2-CB 3.93Å; F327-P438 HydrophobicContact CE2-CG 3.64Å; F327-P438 HydrophobicContact CZ-CB 4.28Å; F327-P438 HydrophobicContact CZ-CG 4.46Å; F327-Y441 HydrophobicContact CB-CD2 4.15Å; F327-Y441 HydrophobicContact CB-CE2 3.92Å; F327-Y441 AromaticContact CD1-CD2 3.51Å; F327-Y441 HydrophobicContact CD1-CD2 3.51Å; F327-Y441 AromaticContact CD1-CE2 3.95Å; F327-Y441 HydrophobicContact CD1-CE2 3.95Å; F327-Y441 HydrophobicContact CD1-CG 4.37Å; F327-Y441 HydrophobicContact CE1-CD2 4.33Å; F327-Y441 HydrophobicContact CG-CD2 4.19Å; F327-Y441 HydrophobicContact CG-CE2 4.41Å; F327-L488 HydrophobicContact CD1-CD2 4.37Å; F327-L488 HydrophobicContact CE1-CD2 4.21Å |
| 328 | P | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -68.8 | 150.6 | 178.9 | 26 | -31.9 | 0 | 0 | 0 | 111.6 | L307 I330 L350 Y441 L497 W500 | L307-P328 HydrophobicContact CD1-CG 4.43Å; P328-I330 HydrophobicContact CB-CD1 4.14Å; P328-I330 HydrophobicContact CG-CD1 3.67Å; P328-I330 HydrophobicContact CG-CG1 4.27Å; P328-I330 PolarHBondContact O-N 2.94Å; P328-L350 HydrophobicContact CB-CD2 3.93Å; P328-L350 HydrophobicContact CG-CD2 4.49Å; P328-Y441 PolarHBondContact O-OH 3.33Å; P328-L497 HydrophobicContact CG-CD1 4.14Å; P328-W500 HydrophobicContact CB-CD2 3.8Å; P328-W500 HydrophobicContact CB-CE3 4.45Å; P328-W500 HydrophobicContact CB-CG 4.01Å; P328-W500 HydrophobicContact CB-CZ2 3.97Å; P328-W500 HydrophobicContact CG-CD2 4.09Å; P328-W500 HydrophobicContact CG-CE3 4.26Å; P328-W500 HydrophobicContact CG-CZ2 4.38Å | ||
| 329 | W | 98.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | trans | -61.2 | 122.7 | 148.9 | -74.1 | 95.4 | 0 | 0 | 0 | 109.8 | Y334 R348 I419 T422 W423 K434 E435 L436 | W329-Y334 HydrophobicContact CE3-CE2 4.17Å; W329-Y334 AromaticContact CE3-CZ 3.88Å; W329-Y334 HydrophobicContact CZ3-CE1 4.32Å; W329-Y334 AromaticContact CZ3-CE2 3.96Å; W329-Y334 HydrophobicContact CZ3-CE2 3.96Å; W329-Y334 AromaticContact CZ3-CZ 3.58Å; W329-Y334 VanDerWaalsContact CZ3-OH 3.24Å; W329-Y334 WeakPolarHBondContact CZ3-OH 3.23Å; W329-R348 WeakPolarHBondContact O-CD 3.16Å; W329-I419 HydrophobicContact CH2-CG2 4.35Å; W329-I419 HydrophobicContact CZ3-CG2 4.2Å; W329-T422 HydrophobicContact CH2-CG2 4.41Å; W329-T422 HydrophobicContact CZ2-CG2 4.14Å; W329-W423 HydrophobicContact CB-CE3 4.22Å; W329-W423 HydrophobicContact CB-CH2 4.27Å; W329-W423 HydrophobicContact CB-CZ3 3.58Å; W329-W423 AromaticContact CD1-CZ3 3.95Å; W329-W423 AromaticContact CD2-CE3 3.56Å; W329-W423 HydrophobicContact CD2-CE3 3.56Å; W329-W423 AromaticContact CD2-CZ3 3.83Å; W329-W423 HydrophobicContact CD2-CZ3 3.83Å; W329-W423 AromaticContact CE2-CE3 3.97Å; W329-W423 HydrophobicContact CE3-CD2 4.48Å; W329-W423 AromaticContact CE3-CE3 3.78Å; W329-W423 HydrophobicContact CE3-CE3 3.78Å; W329-W423 HydrophobicContact CE3-CZ3 4.31Å; W329-W423 AromaticContact CG-CE3 3.78Å; W329-W423 HydrophobicContact CG-CE3 3.78Å; W329-W423 AromaticContact CG-CZ3 3.5Å; W329-W423 HydrophobicContact CG-CZ3 3.5Å; W329-W423 HydrophobicContact CH2-CB 4.24Å; W329-W423 HydrophobicContact CZ3-CB 4.23Å; W329-W423 HydrophobicContact CZ3-CE3 4.35Å; W329-K434 PolarHBondContact NE1-O 3.33Å; W329-E435 PolarHBondContact N-OE2 2.6Å; W329-L436 HydrophobicContact CD2-CD1 3.82Å; W329-L436 HydrophobicContact CD2-CD2 3.72Å; W329-L436 HydrophobicContact CD2-CG 3.6Å; W329-L436 HydrophobicContact CE3-CD1 3.76Å; W329-L436 HydrophobicContact CE3-CD2 3.99Å; W329-L436 HydrophobicContact CE3-CG 4.02Å; W329-L436 HydrophobicContact CG-CD1 4.16Å; W329-L436 HydrophobicContact CG-CD2 4.41Å; W329-L436 HydrophobicContact CG-CG 3.85Å; W329-L436 HydrophobicContact CH2-CD2 3.72Å; W329-L436 HydrophobicContact CZ2-CD2 3.42Å; W329-L436 VanDerWaalsContact CZ2-CD2 3.42Å; W329-L436 HydrophobicContact CZ2-CG 4.25Å; W329-L436 HydrophobicContact CZ3-CD1 4.28Å; W329-L436 HydrophobicContact CZ3-CD2 3.99Å; W329-L436 HydrophobicContact CZ3-CG 4.5Å | ||
| 330 | I | 98.4 | Very high | 95 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | trans | -98.3 | -50.2 | 176.8 | -68 | -56.3 | 0 | 0 | 0 | 111.9 | P328 F347 R348 L350 Y441 A487 L488 V493 | P328-I330 HydrophobicContact CB-CD1 4.14Å; P328-I330 HydrophobicContact CG-CD1 3.67Å; P328-I330 HydrophobicContact CG-CG1 4.27Å; P328-I330 PolarHBondContact O-N 2.94Å; I330-F347 HydrophobicContact CG2-CD1 3.91Å; I330-F347 HydrophobicContact CG2-CE1 4.27Å; I330-F347 CarbonylContact O-C 3.52Å; I330-F347 WeakPolarHBondContact O-CA 3.44Å; I330-R348 PolarHBondContact O-N 2.71Å; I330-L350 HydrophobicContact CD1-CD1 4.22Å; I330-L350 HydrophobicContact CD1-CD2 4.01Å; I330-Y441 HydrophobicContact CB-CE1 4.44Å; I330-Y441 WeakPolarHBondContact CB-OH 3.22Å; I330-Y441 HydrophobicContact CG1-CE1 4.11Å; I330-Y441 VanDerWaalsContact CG1-OH 3.23Å; I330-Y441 WeakPolarHBondContact CG1-OH 3.32Å; I330-Y441 PolarHBondContact N-OH 2.94Å; I330-A487 HydrophobicContact CG2-CB 3.77Å; I330-L488 HydrophobicContact CD1-CD1 4.05Å; I330-L488 HydrophobicContact CG1-CB 4.4Å; I330-L488 HydrophobicContact CG1-CD1 3.93Å; I330-V493 HydrophobicContact CD1-CG1 3.71Å; I330-V493 HydrophobicContact CD1-CG2 3.91Å; I330-V493 HydrophobicContact CG1-CG2 4.47Å; I330-V493 HydrophobicContact CG2-CG2 3.51Å | ||
| 331 | I | 98 | Very high | 95.1 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -85 | 137 | -177.6 | -61 | 164.1 | 0 | 0 | 0 | 109.1 | D333 Y334 L339 T346 W473 A487 | I331-D333 VanDerWaalsContact CG2-O 3.3Å; I331-D333 WeakPolarHBondContact CG2-O 3.44Å; I331-Y334 HydrophobicContact CB-CE1 4.39Å; I331-Y334 WeakPolarHBondContact CB-OH 3.5Å; I331-Y334 HydrophobicContact CG2-CE1 4.23Å; I331-Y334 HydrophobicContact CG2-CE2 4.33Å; I331-Y334 WeakPolarHBondContact O-CE2 3.4Å; I331-Y334 VanDerWaalsContact O-CZ 3.3Å; I331-Y334 PolarHBondContact O-OH 2.6Å; I331-L339 HydrophobicContact CD1-CD2 3.86Å; I331-L339 HydrophobicContact CG2-CD1 3.91Å; I331-T346 HydrophobicContact CG2-CG2 4.49Å; I331-W473 HydrophobicContact CD1-CH2 3.97Å; I331-W473 HydrophobicContact CD1-CZ2 4.06Å; I331-W473 HydrophobicContact CG2-CZ2 4.35Å; I331-A487 HydrophobicContact CD1-CB 3.86Å; I331-A487 HydrophobicContact CG1-CB 3.72Å |
| 332 | A | 96.7 | Very high | 95 | Very high | 30 Ų | 30 | 42.2 Ų | 42.2 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | trans | -106.6 | -16.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T346 W423 | A332-T346 PolarHBondContact N-O 3.02Å; A332-W423 HydrophobicContact CB-CZ2 3.9Å; A332-W423 PolarHBondContact O-NE1 2.69Å | ||
| 333 | D | 96 | Very high | 95.2 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | trans | -99.9 | 107.4 | 178.5 | -172.8 | 0.7 | 0 | 0 | 0 | 112.9 | I331 N335 S336 W473 | I331-D333 VanDerWaalsContact CG2-O 3.3Å; I331-D333 WeakPolarHBondContact CG2-O 3.44Å; D333-N335 PolarHBondContact OD1-N 3.12Å; D333-S336 VanDerWaalsContact CG-OG 3.28Å; D333-S336 PolarHBondContact OD1-N 2.9Å; D333-S336 PolarHBondContact OD1-OG 3.1Å; D333-S336 WeakPolarHBondContact OD2-CB 3.1Å; D333-S336 PolarHBondContact OD2-OG 2.78Å; D333-W473 PolarHBondContact O-NE1 2.86Å | ||
| 334 | Y | 96.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 49 Ų | 49 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | trans | -116.4 | 10.2 | 175.2 | -62.2 | -81.1 | 0 | 0 | 0 | 113.3 | W329 I331 I419 W423 P471 P472 W473 F480 | W329-Y334 HydrophobicContact CE3-CE2 4.17Å; W329-Y334 AromaticContact CE3-CZ 3.88Å; W329-Y334 HydrophobicContact CZ3-CE1 4.32Å; W329-Y334 AromaticContact CZ3-CE2 3.96Å; W329-Y334 HydrophobicContact CZ3-CE2 3.96Å; W329-Y334 AromaticContact CZ3-CZ 3.58Å; W329-Y334 VanDerWaalsContact CZ3-OH 3.24Å; W329-Y334 WeakPolarHBondContact CZ3-OH 3.23Å; I331-Y334 HydrophobicContact CB-CE1 4.39Å; I331-Y334 WeakPolarHBondContact CB-OH 3.5Å; I331-Y334 HydrophobicContact CG2-CE1 4.23Å; I331-Y334 HydrophobicContact CG2-CE2 4.33Å; I331-Y334 WeakPolarHBondContact O-CE2 3.4Å; I331-Y334 VanDerWaalsContact O-CZ 3.3Å; I331-Y334 PolarHBondContact O-OH 2.6Å; Y334-I419 HydrophobicContact CD1-CB 4.4Å; Y334-I419 HydrophobicContact CD1-CG2 3.58Å; Y334-I419 HydrophobicContact CE1-CG2 3.45Å; Y334-I419 VanDerWaalsContact CE1-CG2 3.45Å; Y334-I419 HydrophobicContact CG-CG2 4.41Å; Y334-W423 HydrophobicContact CD2-CB 3.72Å; Y334-W423 AromaticContact CD2-CD1 3.48Å; Y334-W423 VanDerWaalsContact CD2-CD1 3.48Å; Y334-W423 HydrophobicContact CD2-CD2 4.47Å; Y334-W423 AromaticContact CD2-CG 3.62Å; Y334-W423 HydrophobicContact CD2-CG 3.62Å; Y334-W423 HydrophobicContact CE2-CB 3.77Å; Y334-W423 AromaticContact CE2-CD1 3.77Å; Y334-W423 HydrophobicContact CE2-CD2 4.01Å; Y334-W423 AromaticContact CE2-CG 3.57Å; Y334-W423 HydrophobicContact CE2-CG 3.57Å; Y334-P471 HydrophobicContact CD1-CB 4.16Å; Y334-P471 HydrophobicContact CD1-CG 4.07Å; Y334-P471 WeakPolarHBondContact O-CB 3.41Å; Y334-P472 WeakPolarHBondContact O-CD 3.47Å; Y334-W473 HydrophobicContact CD1-CZ2 4.16Å; Y334-W473 HydrophobicContact CE1-CZ2 4.25Å; Y334-F480 HydrophobicContact CE1-CE2 4.34Å | ||
| 335 | N | 95.3 | Very high | 95.2 | Very high | 136 Ų | 136 | 52.5 Ų | 52.5 | 73% | 0.727 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -115.3 | -26.8 | -174.1 | -65 | -46.8 | 0 | 0 | 0 | 112.9 | D333 | D333-N335 PolarHBondContact OD1-N 3.12Š|
| 336 | S | 95.4 | Very high | 95.2 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -67.6 | 154.1 | 179.2 | -63 | 0 | 0 | 0 | 0 | 112.7 | D333 E338 W473 | D333-S336 VanDerWaalsContact CG-OG 3.28Å; D333-S336 PolarHBondContact OD1-N 2.9Å; D333-S336 PolarHBondContact OD1-OG 3.1Å; D333-S336 WeakPolarHBondContact OD2-CB 3.1Å; D333-S336 PolarHBondContact OD2-OG 2.78Å; S336-E338 VanDerWaalsContact C-N 3.33Å; S336-E338 WeakPolarHBondContact CB-O 3.45Å; S336-W473 PolarHBondContact O-N 2.58Å |
| 337 | T | 94.9 | Very high | 95.3 | Very high | 117 Ų | 117 | 53 Ų | 53 | 72% | 0.718 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -74.9 | -23.2 | 176.1 | 51 | 0 | 0 | 0 | 0 | 113.2 | W473 | T337-W473 VanDerWaalsContact O-CA 3.25Å; T337-W473 WeakPolarHBondContact O-CA 3.29Å; T337-W473 WeakPolarHBondContact O-CB 3.45Å |
| 338 | E | 93.9 | Very high | 95.2 | Very high | 160 Ų | 160 | 53.2 Ų | 53.2 | 75% | 0.748 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -132.5 | 147.9 | 177.1 | -64.9 | -173.1 | 174.8 | 0 | 0 | 109.8 | S336 | S336-E338 VanDerWaalsContact C-N 3.33Å; S336-E338 WeakPolarHBondContact CB-O 3.45Å |
| 339 | L | 94.4 | Very high | 95.2 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | trans | -102.5 | 101.3 | -179.4 | -174.2 | 67.5 | 0 | 0 | 0 | 109.7 | I331 M341 T346 W473 K483 | I331-L339 HydrophobicContact CD1-CD2 3.86Å; I331-L339 HydrophobicContact CG2-CD1 3.91Å; L339-M341 HydrophobicContact CD2-CE 3.38Å; L339-M341 HydrophobicContact CD2-SD 4.19Å; L339-M341 HydrophobicContact CG-CE 4.02Å; L339-M341 HydrophobicContact CG-SD 4.28Å; L339-M341 PolarHBondContact O-N 3.49Å; L339-T346 HydrophobicContact CD1-CG2 3.4Å; L339-T346 HydrophobicContact CG-CG2 4.24Å; L339-W473 HydrophobicContact CB-CB 4.13Å; L339-W473 HydrophobicContact CB-CD2 3.97Å; L339-W473 HydrophobicContact CB-CE3 4.34Å; L339-W473 HydrophobicContact CB-CG 3.88Å; L339-W473 HydrophobicContact CD1-CD2 4.44Å; L339-W473 HydrophobicContact CD1-CZ2 4.3Å; L339-W473 HydrophobicContact CD2-CD2 4.17Å; L339-W473 HydrophobicContact CD2-CE3 4.08Å; L339-W473 HydrophobicContact CD2-CH2 4.04Å; L339-W473 HydrophobicContact CD2-CZ2 4.1Å; L339-W473 HydrophobicContact CD2-CZ3 4.03Å; L339-W473 HydrophobicContact CG-CD2 4.44Å; L339-K483 HydrophobicContact CD2-CB 4.12Å | ||
| 340 | D | 92.4 | Very high | 95.2 | Very high | 83 Ų | 83 | 55.7 Ų | 55.7 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | trans | -86.3 | 104.8 | 179 | -177.3 | 6.8 | 0 | 0 | 0 | 111.3 | M342 N343 T346 | D340-M342 PolarHBondContact O-N 3.29Å; D340-M342 WeakPolarHBondContact OD1-CB 3.34Å; D340-M342 PolarHBondContact OD1-N 3.48Å; D340-N343 HydrophobicContact CB-CB 4.21Å; D340-N343 PolarHBondContact O-N 2.77Å; D340-T346 VanDerWaalsContact O-CB 3.31Å; D340-T346 WeakPolarHBondContact O-CB 3.48Å; D340-T346 PolarHBondContact O-OG1 2.84Å | ||
| 341 | M | 92.1 | Very high | 95.1 | Very high | 55 Ų | 55 | 57.4 Ų | 57.4 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.5 | 179.2 | -60.8 | -66.2 | -168.6 | 0 | 0 | 113.7 | L339 F347 K483 K486 A487 | L339-M341 HydrophobicContact CD2-CE 3.38Å; L339-M341 HydrophobicContact CD2-SD 4.19Å; L339-M341 HydrophobicContact CG-CE 4.02Å; L339-M341 HydrophobicContact CG-SD 4.28Å; L339-M341 PolarHBondContact O-N 3.49Å; M341-F347 WeakPolarHBondContact O-CE2 3.44Å; M341-F347 HydrophobicContact SD-CE1 4.48Å; M341-F347 HydrophobicContact SD-CZ 4.14Å; M341-K483 WeakPolarHBondContact CE-O 3.43Å; M341-K486 HydrophobicContact CE-CB 4.38Å; M341-A487 HydrophobicContact CE-CB 3.85Å; M341-A487 HydrophobicContact SD-CB 4Å |
| 342 | M | 90.4 | Very high | 95.1 | Very high | 170 Ų | 170 | 61.3 Ų | 61.3 | 84% | 0.837 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -15.4 | 177.7 | -56.5 | -62.4 | -92.6 | 0 | 0 | 111.9 | D340 P344 | D340-M342 PolarHBondContact O-N 3.29Å; D340-M342 WeakPolarHBondContact OD1-CB 3.34Å; D340-M342 PolarHBondContact OD1-N 3.48Å; M342-P344 WeakPolarHBondContact O-CD 3.37Å |
| 343 | N | 92.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | trans | -86.6 | 116.9 | 177.7 | -178.3 | 2.5 | 0 | 0 | 0 | 110.7 | D340 A345 T346 | D340-N343 HydrophobicContact CB-CB 4.21Å; D340-N343 PolarHBondContact O-N 2.77Å; N343-A345 PolarHBondContact O-N 3.32Å; N343-A345 VanDerWaalsContact O-N 3.14Å; N343-A345 WeakPolarHBondContact OD1-CB 3.19Å; N343-A345 PolarHBondContact OD1-N 3.12Å; N343-T346 VanDerWaalsContact O-CB 3.24Å; N343-T346 WeakPolarHBondContact O-CB 3.31Å; N343-T346 PolarHBondContact O-N 3.47Å; N343-T346 PolarHBondContact O-OG1 2.93Å | ||
| 344 | P | 92.4 | Very high | 95.3 | Very high | 77 Ų | 77 | 58.8 Ų | 58.8 | 50% | 0.5 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -57.3 | -28.7 | 176.6 | -26.2 | 36.4 | 0 | 0 | 0 | 113.8 | M342 T346 F347 Y492 | M342-P344 WeakPolarHBondContact O-CD 3.37Å; P344-T346 PolarHBondContact O-N 3.23Å; P344-F347 PolarHBondContact O-N 3.18Å; P344-F347 VanDerWaalsContact O-N 3.1Å; P344-Y492 HydrophobicContact CB-CE2 3.94Å |
| 345 | A | 92.9 | Very high | 95.2 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -69.3 | -15.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N343 F347 | N343-A345 PolarHBondContact O-N 3.32Å; N343-A345 VanDerWaalsContact O-N 3.14Å; N343-A345 WeakPolarHBondContact OD1-CB 3.19Å; N343-A345 PolarHBondContact OD1-N 3.12Å; A345-F347 PolarHBondContact O-N 3.26Å |
| 346 | T | 95.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -67.8 | -25.9 | 171.9 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | I331 A332 L339 D340 N343 P344 | I331-T346 HydrophobicContact CG2-CG2 4.49Å; A332-T346 PolarHBondContact N-O 3.02Å; L339-T346 HydrophobicContact CD1-CG2 3.4Å; L339-T346 HydrophobicContact CG-CG2 4.24Å; D340-T346 VanDerWaalsContact O-CB 3.31Å; D340-T346 WeakPolarHBondContact O-CB 3.48Å; D340-T346 PolarHBondContact O-OG1 2.84Å; N343-T346 VanDerWaalsContact O-CB 3.24Å; N343-T346 WeakPolarHBondContact O-CB 3.31Å; N343-T346 PolarHBondContact O-N 3.47Å; N343-T346 PolarHBondContact O-OG1 2.93Å; P344-T346 PolarHBondContact O-N 3.23Å |
| 347 | F | 97.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 148.1 | -174.9 | -59.6 | -86.3 | 0 | 0 | 0 | 111.8 | I330 M341 P344 A345 A487 S490 Y492 V493 | I330-F347 HydrophobicContact CG2-CD1 3.91Å; I330-F347 HydrophobicContact CG2-CE1 4.27Å; I330-F347 CarbonylContact O-C 3.52Å; I330-F347 WeakPolarHBondContact O-CA 3.44Å; M341-F347 WeakPolarHBondContact O-CE2 3.44Å; M341-F347 HydrophobicContact SD-CE1 4.48Å; M341-F347 HydrophobicContact SD-CZ 4.14Å; P344-F347 PolarHBondContact O-N 3.18Å; P344-F347 VanDerWaalsContact O-N 3.1Å; A345-F347 PolarHBondContact O-N 3.26Å; F347-A487 HydrophobicContact CE1-CB 4.3Å; F347-S490 WeakPolarHBondContact CE1-OG 3.28Å; F347-Y492 HydrophobicContact CB-CD1 3.5Å; F347-Y492 HydrophobicContact CB-CE1 3.27Å; F347-Y492 HydrophobicContact CB-CG 4.42Å; F347-Y492 AromaticContact CD1-CD1 3.84Å; F347-Y492 HydrophobicContact CD1-CD1 3.84Å; F347-Y492 HydrophobicContact CD1-CE1 4.48Å; F347-Y492 AromaticContact CD2-CD1 3.68Å; F347-Y492 HydrophobicContact CD2-CD1 3.68Å; F347-Y492 HydrophobicContact CD2-CD2 4.36Å; F347-Y492 HydrophobicContact CD2-CE1 4.16Å; F347-Y492 AromaticContact CD2-CG 3.79Å; F347-Y492 HydrophobicContact CD2-CG 3.79Å; F347-Y492 HydrophobicContact CE1-CD1 4.49Å; F347-Y492 HydrophobicContact CE2-CD1 4.35Å; F347-Y492 HydrophobicContact CE2-CG 4.15Å; F347-Y492 AromaticContact CG-CD1 3.38Å; F347-Y492 HydrophobicContact CG-CD1 3.38Å; F347-Y492 AromaticContact CG-CE1 3.75Å; F347-Y492 HydrophobicContact CG-CE1 3.75Å; F347-Y492 AromaticContact CG-CG 4Å; F347-Y492 HydrophobicContact CG-CG 4Å; F347-V493 HydrophobicContact CD1-CG2 3.92Å; F347-V493 HydrophobicContact CE1-CG2 4.07Å |
| 348 | R | 97 | Very high | 95.4 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | trans | -66.8 | 145.4 | 168.1 | 177.5 | -165.5 | 167.9 | 154.1 | -15 | 110.1 | W329 I330 L350 K352 L357 W423 E435 | W329-R348 WeakPolarHBondContact O-CD 3.16Å; I330-R348 PolarHBondContact O-N 2.71Å; R348-L350 PolarHBondContact O-N 3.2Å; R348-L350 VanDerWaalsContact O-N 3.15Å; R348-K352 PolarHBondContact NH2-O 2.75Å; R348-L357 HydrophobicContact CG-CD1 3.98Å; R348-L357 HydrophobicContact CG-CD2 4Å; R348-W423 HydrophobicContact CB-CH2 4.34Å; R348-W423 HydrophobicContact CG-CH2 4.09Å; R348-E435 IonicContact CZ-OE1 3.45Å; R348-E435 VanDerWaalsContact CZ-OE1 3.26Å; R348-E435 IonicContact CZ-OE2 2.77Å; R348-E435 VanDerWaalsContact NH1-CD 3.35Å; R348-E435 IonicContact NH1-OE1 3.43Å; R348-E435 PolarHBondContact NH1-OE1 3.45Å; R348-E435 IonicContact NH1-OE2 3.24Å; R348-E435 PolarHBondContact NH1-OE2 3.03Å; R348-E435 IonicContact NH2-OE1 3.49Å; R348-E435 PolarHBondContact NH2-OE1 3.14Å | ||
| 349 | D | 97.6 | Very high | 95.5 | Very high | 52 Ų | 52 | 48.6 Ų | 48.6 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | trans | -66 | 104.3 | 162.1 | -174.1 | -11.2 | 0 | 0 | 0 | 111.1 | S351 K352 L357 | D349-S351 VanDerWaalsContact C-N 3.29Å; D349-S351 PolarHBondContact O-N 3.47Å; D349-S351 WeakPolarHBondContact OD1-CB 3.36Å; D349-S351 PolarHBondContact OD1-N 2.85Å; D349-S351 VanDerWaalsContact OD1-N 3.12Å; D349-S351 PolarHBondContact OD1-OG 3.45Å; D349-K352 PolarHBondContact O-N 3.42Å; D349-K352 WeakPolarHBondContact OD2-CD 3.38Å; D349-K352 WeakPolarHBondContact OD2-CE 3.39Å; D349-K352 IonicContact OD2-NZ 3.32Å; D349-K352 PolarHBondContact OD2-NZ 2.77Å; D349-L357 HydrophobicContact CB-CD2 4.16Å | ||
| 350 | L | 98.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.9 | -176.6 | -71.7 | 174.6 | 0 | 0 | 0 | 113.3 | P328 I330 R348 K352 V493 H496 W500 | P328-L350 HydrophobicContact CB-CD2 3.93Å; P328-L350 HydrophobicContact CG-CD2 4.49Å; I330-L350 HydrophobicContact CD1-CD1 4.22Å; I330-L350 HydrophobicContact CD1-CD2 4.01Å; R348-L350 PolarHBondContact O-N 3.2Å; R348-L350 VanDerWaalsContact O-N 3.15Å; L350-K352 PolarHBondContact O-N 3.48Å; L350-V493 HydrophobicContact CD1-CG1 4.15Å; L350-H496 HydrophobicContact CB-CB 4.35Å; L350-H496 HydrophobicContact CD1-CB 4.09Å; L350-W500 HydrophobicContact CB-CB 4.1Å; L350-W500 HydrophobicContact CD2-CB 4.12Å; L350-W500 HydrophobicContact CD2-CG 4.34Å; L350-W500 VanDerWaalsContact O-CA 3.29Å; L350-W500 WeakPolarHBondContact O-CA 3.23Å; L350-W500 WeakPolarHBondContact O-CB 3.48Å; L350-W500 PolarHBondContact O-N 3.21Å |
| 351 | S | 97.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -11.3 | 175.3 | 76.8 | 0 | 0 | 0 | 0 | 114 | D349 E499 | D349-S351 VanDerWaalsContact C-N 3.29Å; D349-S351 PolarHBondContact O-N 3.47Å; D349-S351 WeakPolarHBondContact OD1-CB 3.36Å; D349-S351 PolarHBondContact OD1-N 2.85Å; D349-S351 VanDerWaalsContact OD1-N 3.12Å; D349-S351 PolarHBondContact OD1-OG 3.45Å; S351-E499 WeakPolarHBondContact CB-OE2 3.29Å; S351-E499 PolarHBondContact N-OE2 2.97Å |
| 352 | K | 98.1 | Very high | 95.8 | Very high | 85 Ų | 85 | 48.5 Ų | 48.5 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -118.9 | 140.1 | -174.3 | -69.5 | 179.4 | -174.1 | 130.3 | 0 | 112.4 | R348 D349 L350 A356 L357 L503 | R348-K352 PolarHBondContact NH2-O 2.75Å; D349-K352 PolarHBondContact O-N 3.42Å; D349-K352 WeakPolarHBondContact OD2-CD 3.38Å; D349-K352 WeakPolarHBondContact OD2-CE 3.39Å; D349-K352 IonicContact OD2-NZ 3.32Å; D349-K352 PolarHBondContact OD2-NZ 2.77Å; L350-K352 PolarHBondContact O-N 3.48Å; K352-A356 HydrophobicContact CB-CB 4.24Å; K352-L357 HydrophobicContact CB-CD2 4.03Å; K352-L503 VanDerWaalsContact C-CD1 3.46Å |
| 353 | P | 97.6 | Very high | 96 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 5% | 0.045 | 25% | 0.246 | C | C | . | . | trans | -67.8 | 159.3 | 167.7 | 29.1 | -33.5 | 0 | 0 | 0 | 110.7 | G355 A356 A517 H518 N519 | P353-G355 PolarHBondContact O-N 2.57Å; P353-G355 VanDerWaalsContact O-N 3.1Å; P353-A356 HydrophobicContact CG-CB 3.95Å; P353-A356 PolarHBondContact O-N 3.23Å; P353-A517 WeakPolarHBondContact CD-O 3.4Å; P353-H518 WeakPolarHBondContact CG-O 3.07Å; P353-N519 HydrophobicContact CG-CB 4.27Å | ||
| 354 | V | 97.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -49 | -44 | -178.9 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | A356 L357 R361 C426 E435 | V354-A356 PolarHBondContact O-N 2.67Å; V354-L357 PolarHBondContact O-N 3.08Å; V354-R361 PolarHBondContact O-NH2 2.93Å; V354-C426 HydrophobicContact CG1-CB 4Å; V354-C426 WeakPolarHBondContact CG1-O 3.31Å; V354-E435 HydrophobicContact CG2-CG 4.19Å; V354-E435 WeakPolarHBondContact CG2-OE1 3.37Å |
| 355 | G | 94.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -28.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P353 | P353-G355 PolarHBondContact O-N 2.57Å; P353-G355 VanDerWaalsContact O-N 3.1Å |
| 356 | A | 96.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 47 Ų | 47 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -96.2 | -4.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K352 P353 V354 L362 H518 | K352-A356 HydrophobicContact CB-CB 4.24Å; P353-A356 HydrophobicContact CG-CB 3.95Å; P353-A356 PolarHBondContact O-N 3.23Å; V354-A356 PolarHBondContact O-N 2.67Å; A356-L362 HydrophobicContact CB-CD1 4.28Å; A356-L362 HydrophobicContact CB-CD2 4.14Å; A356-H518 HydrophobicContact CB-CB 4.35Å |
| 357 | L | 96.4 | Very high | 96.3 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 22% | 0.22 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69 | -36.5 | 179.4 | -64.2 | 175.3 | 0 | 0 | 0 | 112.6 | R348 D349 K352 V354 W423 L427 | R348-L357 HydrophobicContact CG-CD1 3.98Å; R348-L357 HydrophobicContact CG-CD2 4Å; D349-L357 HydrophobicContact CB-CD2 4.16Å; K352-L357 HydrophobicContact CB-CD2 4.03Å; V354-L357 PolarHBondContact O-N 3.08Å; L357-W423 HydrophobicContact CD1-CH2 3.58Å; L357-W423 HydrophobicContact CD1-CZ2 4.36Å; L357-W423 HydrophobicContact CD1-CZ3 4.27Å; L357-L427 HydrophobicContact CB-CD2 3.6Å; L357-L427 HydrophobicContact CD1-CD2 3.68Å; L357-L427 HydrophobicContact CG-CD2 4.32Å |
| 358 | N | 96.8 | Very high | 96.2 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -97.3 | 113.7 | 175.5 | -176.9 | -41.1 | 0 | 0 | 0 | 110.2 | E360 R361 L362 L427 | N358-E360 PolarHBondContact OD1-N 3.44Å; N358-E360 VanDerWaalsContact OD1-N 3.08Å; N358-R361 HydrophobicContact CB-CB 4.08Å; N358-R361 PolarHBondContact O-N 2.94Å; N358-R361 PolarHBondContact OD1-N 3.07Å; N358-R361 VanDerWaalsContact OD1-N 3.13Å; N358-L362 WeakPolarHBondContact O-CB 3.24Å; N358-L362 PolarHBondContact O-N 3.29Å; N358-L427 VanDerWaalsContact CB-O 3.24Å; N358-L427 WeakPolarHBondContact CB-O 3.28Å; N358-L427 PolarHBondContact ND2-O 3.5Å |
| 359 | K | 95.8 | Very high | 96.1 | Very high | 166 Ų | 166 | 55 Ų | 55 | 72% | 0.722 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.9 | -45.8 | -175.9 | -63.8 | -176.2 | -179 | -179.7 | 0 | 113.2 | R361 L362 E363 | K359-R361 VanDerWaalsContact C-N 3.31Å; K359-R361 PolarHBondContact O-N 2.89Å; K359-L362 PolarHBondContact O-N 3.29Å; K359-E363 WeakPolarHBondContact O-CG 3.33Å; K359-E363 PolarHBondContact O-N 3.41Å |
| 360 | E | 95.6 | Very high | 95.9 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 61% | 0.612 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.2 | -38.9 | -179 | -64.3 | -176.4 | -172.4 | 0 | 0 | 111.8 | N358 R364 | N358-E360 PolarHBondContact OD1-N 3.44Å; N358-E360 VanDerWaalsContact OD1-N 3.08Å; E360-R364 IonicContact OE2-NH2 2.74Å |
| 361 | R | 94.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 66.6 Ų | 66.6 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 175.9 | -175.8 | 177.4 | 66.7 | 178.3 | -8.3 | 111 | V354 N358 K359 E363 R364 L365 C426 L427 G429 D432 | V354-R361 PolarHBondContact O-NH2 2.93Å; N358-R361 HydrophobicContact CB-CB 4.08Å; N358-R361 PolarHBondContact O-N 2.94Å; N358-R361 PolarHBondContact OD1-N 3.07Å; N358-R361 VanDerWaalsContact OD1-N 3.13Å; K359-R361 VanDerWaalsContact C-N 3.31Å; K359-R361 PolarHBondContact O-N 2.89Å; R361-E363 VanDerWaalsContact C-N 3.29Å; R361-E363 PolarHBondContact O-N 3.42Å; R361-R364 WeakPolarHBondContact O-CB 3.5Å; R361-R364 PolarHBondContact O-N 2.91Å; R361-R364 VanDerWaalsContact O-N 3.15Å; R361-L365 HydrophobicContact CG-CD1 4.32Å; R361-L365 PolarHBondContact O-N 3Å; R361-L365 VanDerWaalsContact O-N 3.1Å; R361-C426 PolarHBondContact NH1-O 3.46Å; R361-C426 PolarHBondContact NH2-O 2.89Å; R361-L427 WeakPolarHBondContact CD-O 3.31Å; R361-L427 VanDerWaalsContact CZ-C 3.43Å; R361-L427 PolarHBondContact NE-O 3.13Å; R361-L427 VanDerWaalsContact NH1-C 3.32Å; R361-L427 PolarHBondContact NH1-O 3.34Å; R361-L427 PolarHBondContact NH2-O 3.35Å; R361-G429 WeakPolarHBondContact CD-O 3.32Å; R361-G429 PolarHBondContact NH1-O 3.45Å; R361-D432 PolarHBondContact NH1-O 3.41Å |
| 362 | L | 95.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 66.3 Ų | 66.3 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57 | -43.3 | 178.8 | 176 | 62.7 | 0 | 0 | 0 | 111.5 | A356 N358 K359 R364 L365 L366 H518 | A356-L362 HydrophobicContact CB-CD1 4.28Å; A356-L362 HydrophobicContact CB-CD2 4.14Å; N358-L362 WeakPolarHBondContact O-CB 3.24Å; N358-L362 PolarHBondContact O-N 3.29Å; K359-L362 PolarHBondContact O-N 3.29Å; L362-R364 VanDerWaalsContact C-N 3.3Å; L362-R364 PolarHBondContact O-N 3.17Å; L362-L365 WeakPolarHBondContact O-CB 3.45Å; L362-L365 PolarHBondContact O-N 3.35Å; L362-L365 VanDerWaalsContact O-N 3.13Å; L362-L366 HydrophobicContact CD1-CD1 4.1Å; L362-L366 HydrophobicContact CD1-CD2 4.47Å; L362-L366 HydrophobicContact CD1-CG 4Å; L362-L366 HydrophobicContact CG-CD1 3.93Å; L362-L366 HydrophobicContact CG-CG 4.26Å; L362-L366 WeakPolarHBondContact O-CG 3.37Å; L362-L366 PolarHBondContact O-N 2.87Å; L362-H518 HydrophobicContact CD1-CB 3.99Å |
| 363 | E | 95.9 | Very high | 95.3 | Very high | 131 Ų | 131 | 67 Ų | 67 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57.5 | -41.6 | 176.9 | -75 | 173.9 | -172.1 | 0 | 0 | 112.7 | K359 R361 L366 S367 | K359-E363 WeakPolarHBondContact O-CG 3.33Å; K359-E363 PolarHBondContact O-N 3.41Å; R361-E363 VanDerWaalsContact C-N 3.29Å; R361-E363 PolarHBondContact O-N 3.42Å; E363-L366 PolarHBondContact O-N 3.14Å; E363-S367 PolarHBondContact O-N 3.34Å |
| 364 | R | 94.3 | Very high | 94.8 | Very high | 173 Ų | 173 | 72.4 Ų | 72.4 | 65% | 0.653 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.2 | -41.6 | 176.3 | -61.1 | 175.7 | -155.4 | 169.2 | 7.4 | 111.6 | E360 R361 L362 S367 R368 | E360-R364 IonicContact OE2-NH2 2.74Å; R361-R364 WeakPolarHBondContact O-CB 3.5Å; R361-R364 PolarHBondContact O-N 2.91Å; R361-R364 VanDerWaalsContact O-N 3.15Å; L362-R364 VanDerWaalsContact C-N 3.3Å; L362-R364 PolarHBondContact O-N 3.17Å; R364-S367 WeakPolarHBondContact O-CB 3.33Å; R364-S367 PolarHBondContact O-N 2.98Å; R364-R368 PolarHBondContact O-N 3.06Å; R364-R368 VanDerWaalsContact O-N 3.13Å |
| 365 | L | 94.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 76.7 Ų | 76.7 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.8 | -66.8 | 172.8 | 0 | 0 | 0 | 111.5 | R361 L362 S367 R368 Y369 Y379 F433 | R361-L365 HydrophobicContact CG-CD1 4.32Å; R361-L365 PolarHBondContact O-N 3Å; R361-L365 VanDerWaalsContact O-N 3.1Å; L362-L365 WeakPolarHBondContact O-CB 3.45Å; L362-L365 PolarHBondContact O-N 3.35Å; L362-L365 VanDerWaalsContact O-N 3.13Å; L365-S367 VanDerWaalsContact C-N 3.35Å; L365-R368 PolarHBondContact O-N 2.96Å; L365-Y369 WeakPolarHBondContact O-CB 3.34Å; L365-Y369 PolarHBondContact O-N 3.22Å; L365-Y379 HydrophobicContact CD1-CD1 4.25Å; L365-Y379 HydrophobicContact CD1-CE1 3.76Å; L365-F433 HydrophobicContact CD1-CE1 3.96Å; L365-F433 HydrophobicContact CD1-CZ 4.02Å; L365-F433 HydrophobicContact CD2-CZ 4.21Å |
| 366 | L | 95.5 | Very high | 94.3 | Very high | 43 Ų | 43 | 80.6 Ų | 80.6 | 23% | 0.225 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.8 | -33 | 177 | -69.2 | 176.1 | 0 | 0 | 0 | 112.4 | L362 E363 Y369 R370 M378 | L362-L366 HydrophobicContact CD1-CD1 4.1Å; L362-L366 HydrophobicContact CD1-CD2 4.47Å; L362-L366 HydrophobicContact CD1-CG 4Å; L362-L366 HydrophobicContact CG-CD1 3.93Å; L362-L366 HydrophobicContact CG-CG 4.26Å; L362-L366 WeakPolarHBondContact O-CG 3.37Å; L362-L366 PolarHBondContact O-N 2.87Å; E363-L366 PolarHBondContact O-N 3.14Å; L366-Y369 PolarHBondContact O-N 3.39Å; L366-R370 WeakPolarHBondContact O-CG 3.11Å; L366-R370 PolarHBondContact O-N 3.08Å; L366-R370 VanDerWaalsContact O-N 3.11Å; L366-R370 PolarHBondContact O-NE 3.29Å; L366-M378 HydrophobicContact CD2-CE 3.69Å; L366-M378 HydrophobicContact CD2-SD 3.97Å |
| 367 | S | 95.3 | Very high | 94.2 | Very high | 51 Ų | 51 | 81.9 Ų | 81.9 | 36% | 0.357 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.2 | -52.4 | 170.2 | -161.9 | 0 | 0 | 0 | 0 | 110.6 | E363 R364 L365 Y369 R370 D371 | E363-S367 PolarHBondContact O-N 3.34Å; R364-S367 WeakPolarHBondContact O-CB 3.33Å; R364-S367 PolarHBondContact O-N 2.98Å; L365-S367 VanDerWaalsContact C-N 3.35Å; S367-Y369 VanDerWaalsContact C-N 3.31Å; S367-Y369 PolarHBondContact O-N 3.1Å; S367-R370 PolarHBondContact O-N 3.1Å; S367-D371 PolarHBondContact O-N 2.9Å |
| 368 | R | 94.9 | Very high | 94.1 | Very high | 97 Ų | 97 | 80 Ų | 80 | 37% | 0.366 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 177.4 | -175.3 | -175.3 | 68.6 | -174.3 | -2.8 | 112.2 | R364 L365 R370 D371 M372 M378 | R364-R368 PolarHBondContact O-N 3.06Å; R364-R368 VanDerWaalsContact O-N 3.13Å; L365-R368 PolarHBondContact O-N 2.96Å; R368-R370 VanDerWaalsContact C-N 3.3Å; R368-R370 PolarHBondContact O-N 3.23Å; R368-D371 PolarHBondContact O-N 3.13Å; R368-M372 HydrophobicContact CG-CE 4.28Å; R368-M372 WeakPolarHBondContact O-CB 3.42Å; R368-M372 PolarHBondContact O-N 2.84Å; R368-M372 VanDerWaalsContact O-N 3.07Å; R368-M378 PolarHBondContact NH2-O 2.8Å |
| 369 | Y | 94.9 | Very high | 94 | Very high | 39 Ų | 39 | 78 Ų | 78 | 15% | 0.153 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 179.1 | 178.8 | -97.4 | 0 | 0 | 0 | 112.7 | L365 L366 S367 R376 M378 | L365-Y369 WeakPolarHBondContact O-CB 3.34Å; L365-Y369 PolarHBondContact O-N 3.22Å; L366-Y369 PolarHBondContact O-N 3.39Å; S367-Y369 VanDerWaalsContact C-N 3.31Å; S367-Y369 PolarHBondContact O-N 3.1Å; Y369-R376 HydrophobicContact CD2-CB 3.78Å; Y369-R376 HydrophobicContact CE2-CB 3.35Å; Y369-R376 PolarHBondContact O-NH1 2.87Å; Y369-M378 HydrophobicContact CD1-CE 4.25Å; Y369-M378 HydrophobicContact CD2-CE 4.41Å; Y369-M378 HydrophobicContact CD2-CG 3.62Å; Y369-M378 HydrophobicContact CE1-CE 4.25Å; Y369-M378 HydrophobicContact CE2-CE 4.4Å; Y369-M378 HydrophobicContact CE2-CG 4.14Å; Y369-M378 HydrophobicContact CG-CE 4.34Å; Y369-M378 HydrophobicContact CG-CG 3.98Å |
| 370 | R | 94.8 | Very high | 93.8 | Very high | 167 Ų | 167 | 71.6 Ų | 71.6 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -70.7 | -36.7 | 177.9 | -74.7 | -179.2 | -68.9 | 179.9 | 0.9 | 112.6 | L366 S367 R368 R376 | L366-R370 WeakPolarHBondContact O-CG 3.11Å; L366-R370 PolarHBondContact O-N 3.08Å; L366-R370 VanDerWaalsContact O-N 3.11Å; L366-R370 PolarHBondContact O-NE 3.29Å; S367-R370 PolarHBondContact O-N 3.1Å; R368-R370 VanDerWaalsContact C-N 3.3Å; R368-R370 PolarHBondContact O-N 3.23Å; R370-R376 PolarHBondContact O-NH1 3.27Å |
| 371 | D | 94.5 | Very high | 93.5 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -82.7 | -14.2 | -177.7 | -60.5 | -25.7 | 0 | 0 | 0 | 113.4 | S367 R368 | S367-D371 PolarHBondContact O-N 2.9Å; R368-D371 PolarHBondContact O-N 3.13Å |
| 372 | M | 94.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 66.2 Ų | 66.2 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -76.7 | 139.8 | -177.3 | -171.9 | -178.2 | -75 | 0 | 0 | 112.1 | R368 R376 F377 | R368-M372 HydrophobicContact CG-CE 4.28Å; R368-M372 WeakPolarHBondContact O-CB 3.42Å; R368-M372 PolarHBondContact O-N 2.84Å; R368-M372 VanDerWaalsContact O-N 3.07Å; M372-R376 HydrophobicContact CB-CG 4.35Å; M372-R376 WeakPolarHBondContact O-CG 3.37Å; M372-F377 HydrophobicContact CE-CD1 4.14Å; M372-F377 HydrophobicContact CE-CD2 4.27Å; M372-F377 HydrophobicContact CE-CE1 3.7Å; M372-F377 HydrophobicContact CE-CE2 3.85Å; M372-F377 HydrophobicContact CE-CG 4.4Å; M372-F377 HydrophobicContact CE-CZ 3.55Å; M372-F377 HydrophobicContact SD-CD1 3.55Å; M372-F377 VanDerWaalsContact SD-CD1 3.55Å; M372-F377 HydrophobicContact SD-CE1 3.49Å; M372-F377 WeakPolarHBondContact SD-CE1 3.38Å; M372-F377 HydrophobicContact SD-CG 4.12Å; M372-F377 HydrophobicContact SD-CZ 4.01Å |
| 373 | P | 91.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 65.8 Ų | 65.8 | 66% | 0.656 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 157.3 | 169.1 | 30.1 | -35.1 | 0 | 0 | 0 | 111.4 | P375 | P373-P375 CarbonylContact O-C 3.55Š|
| 374 | D | 87 | Confident | 93.5 | Very high | 119 Ų | 119 | 59.8 Ų | 59.8 | 64% | 0.636 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -70.3 | 142.2 | 174.7 | -68.1 | -63 | 0 | 0 | 0 | 111.5 | R376 | D374-R376 WeakPolarHBondContact OD1-CD 3.29Å; D374-R376 WeakPolarHBondContact OD1-CG 3.35Å; D374-R376 IonicContact OD1-NE 3.8Å; D374-R376 PolarHBondContact OD1-NE 3.22Å; D374-R376 VanDerWaalsContact OD1-NE 3.1Å; D374-R376 IonicContact OD2-NE 3.42Å; D374-R376 IonicContact OD2-NH2 2.67Å |
| 375 | P | 88.7 | Confident | 93.5 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 61% | 0.61 | 27% | 0.272 | S | S | * | . | S | Bend | cis | -79 | 124.7 | 1.5 | 30.9 | -34.7 | 0 | 0 | 0 | 113.8 | P373 P523 | P373-P375 CarbonylContact O-C 3.55Å; P375-P523 HydrophobicContact CB-CG 3.78Å; P375-P523 HydrophobicContact CG-CB 4.45Å; P375-P523 HydrophobicContact CG-CG 3.74Å |
| 376 | R | 92.7 | Very high | 93.5 | Very high | 84 Ų | 84 | 51.7 Ų | 51.7 | 32% | 0.317 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 146.4 | -177.1 | -60.2 | 163.8 | -164.4 | -118.7 | 0.3 | 112.7 | Y369 R370 M372 D374 | Y369-R376 HydrophobicContact CD2-CB 3.78Å; Y369-R376 HydrophobicContact CE2-CB 3.35Å; Y369-R376 PolarHBondContact O-NH1 2.87Å; R370-R376 PolarHBondContact O-NH1 3.27Å; M372-R376 HydrophobicContact CB-CG 4.35Å; M372-R376 WeakPolarHBondContact O-CG 3.37Å; D374-R376 WeakPolarHBondContact OD1-CD 3.29Å; D374-R376 WeakPolarHBondContact OD1-CG 3.35Å; D374-R376 IonicContact OD1-NE 3.8Å; D374-R376 PolarHBondContact OD1-NE 3.22Å; D374-R376 VanDerWaalsContact OD1-NE 3.1Å; D374-R376 IonicContact OD2-NE 3.42Å; D374-R376 IonicContact OD2-NH2 2.67Å |
| 377 | F | 94.4 | Very high | 93.4 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 15% | 0.149 | 27% | 0.271 | C | S | . | . | trans | -143 | 150.6 | 172.8 | 60.2 | -90.5 | 0 | 0 | 0 | 112.5 | M372 Y379 V520 F521 H522 | M372-F377 HydrophobicContact CE-CD1 4.14Å; M372-F377 HydrophobicContact CE-CD2 4.27Å; M372-F377 HydrophobicContact CE-CE1 3.7Å; M372-F377 HydrophobicContact CE-CE2 3.85Å; M372-F377 HydrophobicContact CE-CG 4.4Å; M372-F377 HydrophobicContact CE-CZ 3.55Å; M372-F377 HydrophobicContact SD-CD1 3.55Å; M372-F377 VanDerWaalsContact SD-CD1 3.55Å; M372-F377 HydrophobicContact SD-CE1 3.49Å; M372-F377 WeakPolarHBondContact SD-CE1 3.38Å; M372-F377 HydrophobicContact SD-CG 4.12Å; M372-F377 HydrophobicContact SD-CZ 4.01Å; F377-Y379 WeakPolarHBondContact CD2-O 3.24Å; F377-V520 HydrophobicContact CB-CG1 4.48Å; F377-F521 VanDerWaalsContact CB-O 3.24Å; F377-F521 WeakPolarHBondContact CB-O 3.32Å; F377-H522 AromaticContact CD1-CD2 3.84Å; F377-H522 AromaticContact CE1-CD2 3.5Å; F377-H522 VanDerWaalsContact CE1-CD2 3.5Å; F377-H522 WeakPolarHBondContact CE1-CD2 3.26Å; F377-H522 HydrophobicContact CG-CB 4.5Å; F377-H522 AromaticContact CZ-CD2 3.65Å | ||
| 378 | M | 95.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -88.6 | -34.1 | 176.9 | -63.1 | -176.9 | -172.1 | 0 | 0 | 111.3 | L366 R368 Y369 V515 H518 V520 | L366-M378 HydrophobicContact CD2-CE 3.69Å; L366-M378 HydrophobicContact CD2-SD 3.97Å; R368-M378 PolarHBondContact NH2-O 2.8Å; Y369-M378 HydrophobicContact CD1-CE 4.25Å; Y369-M378 HydrophobicContact CD2-CE 4.41Å; Y369-M378 HydrophobicContact CD2-CG 3.62Å; Y369-M378 HydrophobicContact CE1-CE 4.25Å; Y369-M378 HydrophobicContact CE2-CE 4.4Å; Y369-M378 HydrophobicContact CE2-CG 4.14Å; Y369-M378 HydrophobicContact CG-CE 4.34Å; Y369-M378 HydrophobicContact CG-CG 3.98Å; M378-V515 HydrophobicContact CE-CG1 4.35Å; M378-H518 HydrophobicContact CE-CB 4.45Å; M378-H518 WeakPolarHBondContact SD-CA 3.36Å; M378-H518 HydrophobicContact SD-CB 3.76Å; M378-V520 WeakPolarHBondContact CA-O 3.46Å; M378-V520 WeakPolarHBondContact CB-O 3.47Å; M378-V520 HydrophobicContact CE-CG2 4.47Å; M378-V520 HydrophobicContact CG-CB 4.3Å; M378-V520 PolarHBondContact N-O 2.97Å |
| 379 | Y | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -120.4 | 116.3 | -176.1 | -48 | -66.4 | 0 | 0 | 0 | 111.5 | L365 F377 S381 F433 H518 V520 F521 H522 | L365-Y379 HydrophobicContact CD1-CD1 4.25Å; L365-Y379 HydrophobicContact CD1-CE1 3.76Å; F377-Y379 WeakPolarHBondContact CD2-O 3.24Å; Y379-S381 VanDerWaalsContact C-N 3.33Å; Y379-F433 AromaticContact CD1-CD1 3.97Å; Y379-F433 HydrophobicContact CD1-CD1 3.97Å; Y379-F433 AromaticContact CD1-CD2 3.93Å; Y379-F433 HydrophobicContact CD1-CD2 3.93Å; Y379-F433 AromaticContact CD1-CE1 3.86Å; Y379-F433 HydrophobicContact CD1-CE1 3.86Å; Y379-F433 AromaticContact CD1-CE2 3.82Å; Y379-F433 HydrophobicContact CD1-CE2 3.82Å; Y379-F433 HydrophobicContact CD1-CG 4.01Å; Y379-F433 AromaticContact CD1-CZ 3.8Å; Y379-F433 HydrophobicContact CD1-CZ 3.8Å; Y379-F433 HydrophobicContact CE1-CD1 4.15Å; Y379-F433 HydrophobicContact CE1-CE1 4.02Å; Y379-F433 HydrophobicContact CE1-CZ 4.34Å; Y379-F433 HydrophobicContact CG-CD2 4.46Å; Y379-H518 WeakPolarHBondContact CE2-O 3.35Å; Y379-H518 PolarHBondContact OH-O 2.8Å; Y379-V520 WeakPolarHBondContact CD2-O 3.47Å; Y379-V520 PolarHBondContact N-O 3.19Å; Y379-V520 VanDerWaalsContact N-O 3.07Å; Y379-F521 AromaticContact CD2-CD1 3.89Å; Y379-F521 HydrophobicContact CD2-CD1 3.89Å; Y379-F521 HydrophobicContact CD2-CD2 4.3Å; Y379-F521 AromaticContact CD2-CE1 3.54Å; Y379-F521 HydrophobicContact CD2-CE1 3.54Å; Y379-F521 AromaticContact CD2-CE2 3.98Å; Y379-F521 HydrophobicContact CD2-CE2 3.98Å; Y379-F521 HydrophobicContact CD2-CG 4.23Å; Y379-F521 AromaticContact CD2-CZ 3.54Å; Y379-F521 HydrophobicContact CD2-CZ 3.54Å; Y379-F521 HydrophobicContact CE2-CE1 4.44Å; Y379-F521 HydrophobicContact CE2-CE2 4.42Å; Y379-F521 HydrophobicContact CE2-CZ 4.06Å; Y379-F521 HydrophobicContact CG-CD1 4.09Å; Y379-F521 AromaticContact CG-CE1 3.77Å; Y379-F521 HydrophobicContact CG-CE1 3.77Å; Y379-F521 HydrophobicContact CG-CZ 4.21Å; Y379-F521 CarbonylContact O-C 3.54Å; Y379-H522 PolarHBondContact O-N 2.97Å |
| 380 | G | 90.1 | Very high | 93.4 | Very high | 31 Ų | 31 | 44 Ų | 44 | 32% | 0.32 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -82.3 | -12.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 381 | S | 90.6 | Very high | 93.4 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -117.2 | 135.6 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 108.5 | Y379 T431 | Y379-S381 VanDerWaalsContact C-N 3.33Å; S381-T431 WeakPolarHBondContact CB-O 3.47Å; S381-T431 PolarHBondContact OG-O 3.25Å |
| 382 | H | 94.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | trans | -81.2 | 156.6 | 179.6 | -167 | -106.9 | 0 | 0 | 0 | 111.4 | S384 Y388 F521 T525 F551 Q553 T554 | H382-S384 VanDerWaalsContact C-N 3.26Å; H382-S384 PolarHBondContact ND1-N 2.95Å; H382-S384 VanDerWaalsContact ND1-N 3.18Å; H382-S384 PolarHBondContact ND1-O 3.43Å; H382-S384 PolarHBondContact O-N 3.49Å; H382-Y388 WeakPolarHBondContact O-CE2 3.33Å; H382-F521 AromaticContact CD2-CD1 3.95Å; H382-T525 HydrophobicContact CB-CG2 4.36Å; H382-F551 WeakPolarHBondContact CB-O 3.4Å; H382-Q553 PolarHBondContact CE1-O 2.96Å; H382-T554 PolarHBondContact NE2-OG1 3.4Å | ||
| 383 | Y | 95.8 | Very high | 93.5 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -74.6 | -14.6 | 179.3 | 49.1 | -100.4 | 0 | 0 | 0 | 114.2 | V326 F433 K434 E435 V504 F521 P555 | V326-Y383 HydrophobicContact CG1-CD2 3.79Å; V326-Y383 HydrophobicContact CG1-CE2 4Å; V326-Y383 HydrophobicContact CG2-CD2 4.29Å; V326-Y383 HydrophobicContact CG2-CE2 4.11Å; Y383-F433 WeakPolarHBondContact CA-O 3.34Å; Y383-F433 VanDerWaalsContact CB-O 3.24Å; Y383-F433 WeakPolarHBondContact CB-O 3.44Å; Y383-K434 WeakPolarHBondContact O-CA 3.34Å; Y383-E435 HydrophobicContact CD2-CG 4.43Å; Y383-E435 HydrophobicContact CG-CG 4.28Å; Y383-E435 PolarHBondContact O-N 2.77Å; Y383-V504 HydrophobicContact CE2-CG1 4.44Å; Y383-F521 HydrophobicContact CD1-CD1 4.36Å; Y383-F521 AromaticContact CD1-CE1 3.59Å; Y383-F521 HydrophobicContact CD1-CE1 3.59Å; Y383-F521 AromaticContact CD1-CE2 3.81Å; Y383-F521 HydrophobicContact CD1-CE2 3.81Å; Y383-F521 AromaticContact CD1-CZ 3.3Å; Y383-F521 HydrophobicContact CD1-CZ 3.3Å; Y383-F521 HydrophobicContact CE1-CD2 4.16Å; Y383-F521 HydrophobicContact CE1-CE1 4.13Å; Y383-F521 AromaticContact CE1-CE2 3.61Å; Y383-F521 HydrophobicContact CE1-CE2 3.61Å; Y383-F521 AromaticContact CE1-CZ 3.64Å; Y383-F521 HydrophobicContact CE1-CZ 3.64Å; Y383-P555 WeakPolarHBondContact OH-CD 3.29Å |
| 384 | S | 95.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -135.9 | 120 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | Y324 V326 H382 G552 | Y324-S384 PolarHBondContact O-OG 3.45Å; V326-S384 VanDerWaalsContact CG2-CB 3.42Å; H382-S384 VanDerWaalsContact C-N 3.26Å; H382-S384 PolarHBondContact ND1-N 2.95Å; H382-S384 VanDerWaalsContact ND1-N 3.18Å; H382-S384 PolarHBondContact ND1-O 3.43Å; H382-S384 PolarHBondContact O-N 3.49Å; S384-G552 VanDerWaalsContact O-CA 3.24Å; S384-G552 WeakPolarHBondContact O-CA 3.44Å |
| 385 | S | 94.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 19.2 Ų | 19.2 | 8% | 0.077 | 11% | 0.112 | C | C | . | . | trans | -146.3 | 159.1 | 178.2 | 69 | 0 | 0 | 0 | 0 | 109.4 | G387 Y388 V389 | S385-G387 PolarHBondContact O-N 2.77Å; S385-Y388 PolarHBondContact O-N 3Å; S385-Y388 VanDerWaalsContact OG-CG 3.25Å; S385-Y388 PolarHBondContact OG-N 3.43Å; S385-V389 WeakPolarHBondContact O-CG2 3.45Å; S385-V389 PolarHBondContact O-N 2.77Å | ||
| 386 | P | 93.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.019 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54.8 | -38.5 | 176.5 | -23.4 | 32 | 0 | 0 | 0 | 112.5 | L197 L321 Y388 V389 L390 L404 L549 E550 | L197-P386 HydrophobicContact CD2-CB 4.07Å; L321-P386 HydrophobicContact CB-CB 3.97Å; L321-P386 HydrophobicContact CB-CG 4.33Å; P386-Y388 VanDerWaalsContact C-N 3.34Å; P386-Y388 PolarHBondContact O-N 3.03Å; P386-V389 PolarHBondContact O-N 3.48Å; P386-L390 WeakPolarHBondContact O-CB 3.47Å; P386-L390 WeakPolarHBondContact O-CG 3.48Å; P386-L390 PolarHBondContact O-N 3.07Å; P386-L404 HydrophobicContact CB-CD1 4.41Å; P386-L404 HydrophobicContact CB-CD2 4.38Å; P386-L549 VanDerWaalsContact CG-O 3.26Å; P386-L549 WeakPolarHBondContact CG-O 3.22Å; P386-E550 WeakPolarHBondContact CD-O 3.26Å |
| 387 | G | 93.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 12.4 Ų | 12.4 | 26% | 0.258 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S385 F391 L404 | S385-G387 PolarHBondContact O-N 2.77Å; G387-F391 WeakPolarHBondContact O-CB 3.47Å; G387-F391 PolarHBondContact O-N 3.2Å; G387-L404 VanDerWaalsContact CA-CD2 3.5Å |
| 388 | Y | 94.4 | Very high | 94 | Very high | 41 Ų | 41 | 11.2 Ų | 11.2 | 16% | 0.161 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -74.7 | -39.5 | 178.7 | -67.2 | -9.7 | 0 | 0 | 0 | 112.7 | H382 S385 P386 F391 Y392 T431 K434 | H382-Y388 WeakPolarHBondContact O-CE2 3.33Å; S385-Y388 PolarHBondContact O-N 3Å; S385-Y388 VanDerWaalsContact OG-CG 3.25Å; S385-Y388 PolarHBondContact OG-N 3.43Å; P386-Y388 VanDerWaalsContact C-N 3.34Å; P386-Y388 PolarHBondContact O-N 3.03Å; Y388-F391 WeakPolarHBondContact O-CB 3.39Å; Y388-F391 PolarHBondContact O-N 3.44Å; Y388-Y392 WeakPolarHBondContact O-CD2 3.45Å; Y388-Y392 PolarHBondContact O-N 2.63Å; Y388-T431 PolarHBondContact OH-O 3.45Å; Y388-K434 HydrophobicContact CD1-CD 3.45Å; Y388-K434 VanDerWaalsContact CD1-CD 3.45Å; Y388-K434 HydrophobicContact CD1-CG 4.08Å; Y388-K434 HydrophobicContact CD2-CB 3.58Å; Y388-K434 HydrophobicContact CD2-CD 3.76Å; Y388-K434 HydrophobicContact CD2-CG 3.54Å; Y388-K434 HydrophobicContact CE1-CD 3.77Å; Y388-K434 HydrophobicContact CE1-CG 4.08Å; Y388-K434 HydrophobicContact CE2-CB 3.89Å; Y388-K434 HydrophobicContact CE2-CD 4.03Å; Y388-K434 HydrophobicContact CE2-CG 3.52Å; Y388-K434 HydrophobicContact CG-CB 4.08Å; Y388-K434 HydrophobicContact CG-CD 3.45Å; Y388-K434 VanDerWaalsContact CG-CD 3.45Å; Y388-K434 HydrophobicContact CG-CG 3.82Å |
| 389 | V | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.012 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 110 | L321 Y324 S385 P386 F391 Y392 L393 I437 | L321-V389 HydrophobicContact CD2-CG1 4.17Å; Y324-V389 VanDerWaalsContact CB-CG2 3.49Å; Y324-V389 HydrophobicContact CD1-CG1 3.84Å; Y324-V389 HydrophobicContact CD1-CG2 3.86Å; Y324-V389 HydrophobicContact CD2-CG1 4.04Å; Y324-V389 HydrophobicContact CE1-CG1 4.04Å; Y324-V389 HydrophobicContact CE2-CG1 4.24Å; Y324-V389 HydrophobicContact CG-CB 4.46Å; Y324-V389 HydrophobicContact CG-CG1 3.81Å; Y324-V389 HydrophobicContact CG-CG2 3.76Å; S385-V389 WeakPolarHBondContact O-CG2 3.45Å; S385-V389 PolarHBondContact O-N 2.77Å; P386-V389 PolarHBondContact O-N 3.48Å; V389-F391 VanDerWaalsContact C-N 3.35Å; V389-F391 PolarHBondContact O-N 3.01Å; V389-Y392 PolarHBondContact O-N 2.88Å; V389-L393 HydrophobicContact CG1-CD1 3.8Å; V389-L393 WeakPolarHBondContact O-CB 3.47Å; V389-L393 WeakPolarHBondContact O-CG 3.33Å; V389-L393 PolarHBondContact O-N 3.27Å; V389-I437 HydrophobicContact CG2-CG2 4.27Å |
| 390 | L | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -72.3 | -27.4 | 178.4 | -67.1 | 176.5 | 0 | 0 | 0 | 113.1 | L197 L321 P386 Y392 L393 V394 A397 H400 M401 L404 | L197-L390 HydrophobicContact CD1-CD1 3.97Å; L321-L390 HydrophobicContact CD1-CD1 3.95Å; L321-L390 HydrophobicContact CD1-CD2 3.88Å; L321-L390 HydrophobicContact CD1-CG 3.87Å; P386-L390 WeakPolarHBondContact O-CB 3.47Å; P386-L390 WeakPolarHBondContact O-CG 3.48Å; P386-L390 PolarHBondContact O-N 3.07Å; L390-Y392 VanDerWaalsContact C-N 3.26Å; L390-Y392 PolarHBondContact O-N 3.19Å; L390-L393 CarbonylContact O-C 3.58Å; L390-L393 PolarHBondContact O-N 3.23Å; L390-V394 WeakPolarHBondContact O-CA 3.48Å; L390-V394 WeakPolarHBondContact O-CB 3.42Å; L390-V394 PolarHBondContact O-N 2.76Å; L390-A397 HydrophobicContact CD2-CB 4.21Å; L390-H400 HydrophobicContact CD1-CB 3.92Å; L390-H400 HydrophobicContact CD2-CB 3.55Å; L390-H400 HydrophobicContact CG-CB 4.41Å; L390-M401 HydrophobicContact CB-CE 3.64Å; L390-M401 HydrophobicContact CB-SD 4.34Å; L390-M401 WeakPolarHBondContact O-CE 3.15Å; L390-L404 HydrophobicContact CD1-CB 4.08Å; L390-L404 HydrophobicContact CD1-CD2 3.94Å |
| 391 | F | 95.5 | Very high | 94 | Very high | 25 Ų | 25 | 13.3 Ų | 13.3 | 11% | 0.11 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -54.3 | -45.6 | 169.5 | 163.7 | -90.1 | 0 | 0 | 0 | 110.6 | G387 Y388 V389 R414 M415 F416 T422 | G387-F391 WeakPolarHBondContact O-CB 3.47Å; G387-F391 PolarHBondContact O-N 3.2Å; Y388-F391 WeakPolarHBondContact O-CB 3.39Å; Y388-F391 PolarHBondContact O-N 3.44Å; V389-F391 VanDerWaalsContact C-N 3.35Å; V389-F391 PolarHBondContact O-N 3.01Å; F391-R414 VanDerWaalsContact CE2-O 3.23Å; F391-R414 WeakPolarHBondContact CE2-O 3.34Å; F391-M415 VanDerWaalsContact CE2-C 3.48Å; F391-F416 HydrophobicContact CD1-CB 3.91Å; F391-F416 HydrophobicContact CD1-CD2 4.47Å; F391-F416 HydrophobicContact CD1-CG 4.27Å; F391-F416 HydrophobicContact CD2-CB 3.95Å; F391-F416 HydrophobicContact CE1-CB 3.61Å; F391-F416 AromaticContact CE1-CD2 3.57Å; F391-F416 HydrophobicContact CE1-CD2 3.57Å; F391-F416 HydrophobicContact CE1-CE2 4.46Å; F391-F416 AromaticContact CE1-CG 3.77Å; F391-F416 HydrophobicContact CE1-CG 3.77Å; F391-F416 VanDerWaalsContact CE2-CA 3.4Å; F391-F416 HydrophobicContact CE2-CB 3.67Å; F391-F416 HydrophobicContact CG-CB 4.07Å; F391-F416 VanDerWaalsContact CZ-CA 3.42Å; F391-F416 HydrophobicContact CZ-CB 3.49Å; F391-F416 VanDerWaalsContact CZ-CB 3.49Å; F391-F416 AromaticContact CZ-CD2 3.7Å; F391-F416 HydrophobicContact CZ-CD2 3.7Å; F391-F416 AromaticContact CZ-CG 3.97Å; F391-F416 HydrophobicContact CZ-CG 3.97Å; F391-F416 WeakPolarHBondContact O-CB 3.41Å; F391-T422 HydrophobicContact CE1-CG2 3.85Å; F391-T422 HydrophobicContact CZ-CG2 4.04Å |
| 392 | Y | 96.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -71.2 | -40.2 | 174.5 | -59.5 | -54.2 | 0 | 0 | 0 | 112.7 | Y388 V389 L390 F416 T422 E435 I437 F440 | Y388-Y392 WeakPolarHBondContact O-CD2 3.45Å; Y388-Y392 PolarHBondContact O-N 2.63Å; V389-Y392 PolarHBondContact O-N 2.88Å; L390-Y392 VanDerWaalsContact C-N 3.26Å; L390-Y392 PolarHBondContact O-N 3.19Å; Y392-F416 HydrophobicContact CD1-CD1 4.19Å; Y392-F416 HydrophobicContact CD1-CD2 4.35Å; Y392-F416 HydrophobicContact CD1-CE1 4.11Å; Y392-F416 HydrophobicContact CD1-CE2 4.29Å; Y392-F416 HydrophobicContact CD1-CG 4.32Å; Y392-F416 HydrophobicContact CD1-CZ 4.17Å; Y392-T422 HydrophobicContact CE1-CG2 4.36Å; Y392-E435 PolarHBondContact OH-O 3.05Å; Y392-E435 VanDerWaalsContact OH-O 3.12Å; Y392-I437 HydrophobicContact CD2-CD1 4.13Å; Y392-I437 HydrophobicContact CD2-CG1 4.14Å; Y392-I437 HydrophobicContact CD2-CG2 4.07Å; Y392-I437 HydrophobicContact CE2-CG2 4.44Å; Y392-I437 HydrophobicContact CG-CD1 4.35Å; Y392-F440 AromaticContact CD1-CE2 3.69Å; Y392-F440 HydrophobicContact CD1-CE2 3.69Å; Y392-F440 AromaticContact CD1-CZ 3.66Å; Y392-F440 HydrophobicContact CD1-CZ 3.66Å; Y392-F440 HydrophobicContact CD2-CE2 4.21Å; Y392-F440 HydrophobicContact CE1-CE2 4.02Å; Y392-F440 AromaticContact CE1-CZ 3.88Å; Y392-F440 HydrophobicContact CE1-CZ 3.88Å; Y392-F440 AromaticContact CG-CE2 3.8Å; Y392-F440 HydrophobicContact CG-CE2 3.8Å; Y392-F440 HydrophobicContact CG-CZ 4.25Å |
| 393 | L | 95 | Very high | 94 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -94.2 | 4.5 | -169 | -62.6 | -179.3 | 0 | 0 | 0 | 115.3 | A2 F3 V389 L390 R395 V396 A397 I437 F447 | A2-L393 HydrophobicContact CB-CD1 4.15Å; A2-L393 HydrophobicContact CB-CD2 4.13Å; F3-L393 HydrophobicContact CD1-CD1 4.31Å; F3-L393 HydrophobicContact CE1-CD1 3.73Å; V389-L393 HydrophobicContact CG1-CD1 3.8Å; V389-L393 WeakPolarHBondContact O-CB 3.47Å; V389-L393 WeakPolarHBondContact O-CG 3.33Å; V389-L393 PolarHBondContact O-N 3.27Å; L390-L393 CarbonylContact O-C 3.58Å; L390-L393 PolarHBondContact O-N 3.23Å; L393-R395 PolarHBondContact O-N 3.23Å; L393-V396 HydrophobicContact CB-CG2 3.92Å; L393-V396 HydrophobicContact CD2-CG2 3.91Å; L393-V396 HydrophobicContact CG-CG2 4.47Å; L393-V396 WeakPolarHBondContact O-CG2 3.19Å; L393-V396 PolarHBondContact O-N 3.4Å; L393-A397 HydrophobicContact CB-CB 4.37Å; L393-A397 PolarHBondContact O-N 2.98Å; L393-I437 HydrophobicContact CD1-CD1 4.25Å; L393-I437 HydrophobicContact CD2-CD1 3.76Å; L393-I437 HydrophobicContact CG-CD1 3.87Å; L393-F447 HydrophobicContact CD2-CB 3.84Å; L393-F447 HydrophobicContact CD2-CG 4.28Å |
| 394 | V | 94.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -30.8 | -174.2 | 65.3 | 0 | 0 | 0 | 0 | 114 | L390 V396 P398 M401 Y409 M415 L456 | L390-V394 WeakPolarHBondContact O-CA 3.48Å; L390-V394 WeakPolarHBondContact O-CB 3.42Å; L390-V394 PolarHBondContact O-N 2.76Å; V394-V396 VanDerWaalsContact C-N 3.35Å; V394-P398 WeakPolarHBondContact O-CA 3.41Å; V394-P398 WeakPolarHBondContact O-CB 3.22Å; V394-P398 WeakPolarHBondContact O-CD 3.43Å; V394-M401 HydrophobicContact CB-CE 4.05Å; V394-M401 HydrophobicContact CG2-CB 3.86Å; V394-M401 HydrophobicContact CG2-CE 4.25Å; V394-M401 HydrophobicContact CG2-CG 3.83Å; V394-Y409 HydrophobicContact CG2-CD1 4.23Å; V394-Y409 HydrophobicContact CG2-CE1 4.21Å; V394-M415 HydrophobicContact CB-CE 4.14Å; V394-M415 HydrophobicContact CG1-CE 3.72Å; V394-M415 HydrophobicContact CG2-CE 3.78Å; V394-L456 HydrophobicContact CG2-CD2 4.21Å |
| 395 | R | 93.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.011 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -23.3 | -179.6 | -70.3 | 170.5 | -178.4 | 79 | -0.4 | 113.9 | L393 F416 F447 L456 Q466 V468 | L393-R395 PolarHBondContact O-N 3.23Å; R395-F416 VanDerWaalsContact CZ-O 3.27Å; R395-F416 PolarHBondContact NH1-O 2.95Å; R395-F416 PolarHBondContact NH2-O 2.8Å; R395-F447 WeakPolarHBondContact CD-O 3.22Å; R395-L456 HydrophobicContact CG-CD1 4.32Å; R395-Q466 VanDerWaalsContact CZ-O 3.22Å; R395-Q466 PolarHBondContact NE-O 2.92Å; R395-Q466 PolarHBondContact NH2-O 2.96Å; R395-V468 VanDerWaalsContact CZ-CG2 3.49Å |
| 396 | V | 92.9 | Very high | 93.2 | Very high | 33 Ų | 33 | 23.7 Ų | 23.7 | 20% | 0.2 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -27.6 | 179.1 | -67 | 0 | 0 | 0 | 0 | 112.7 | A2 I4 L393 V394 P398 S446 F447 | A2-V396 HydrophobicContact CB-CG2 4.09Å; I4-V396 VanDerWaalsContact CD1-O 3.24Å; I4-V396 WeakPolarHBondContact CD1-O 3.32Å; L393-V396 HydrophobicContact CB-CG2 3.92Å; L393-V396 HydrophobicContact CD2-CG2 3.91Å; L393-V396 HydrophobicContact CG-CG2 4.47Å; L393-V396 WeakPolarHBondContact O-CG2 3.19Å; L393-V396 PolarHBondContact O-N 3.4Å; V394-V396 VanDerWaalsContact C-N 3.35Å; V396-P398 WeakPolarHBondContact O-CD 3.11Å; V396-S446 VanDerWaalsContact CG1-C 3.47Å; V396-S446 WeakPolarHBondContact CG1-O 3.31Å; V396-S446 WeakPolarHBondContact CG1-OG 3.46Å; V396-F447 HydrophobicContact CG1-CB 4.13Å; V396-F447 HydrophobicContact CG2-CB 4.06Å |
| 397 | A | 92.4 | Very high | 93 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 2% | 0.017 | 13% | 0.127 | C | C | . | . | trans | -121.8 | 48.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | F3 I4 L390 L393 E399 H400 M401 | F3-A397 HydrophobicContact CZ-CB 4.19Å; I4-A397 HydrophobicContact CD1-CB 3.78Å; L390-A397 HydrophobicContact CD2-CB 4.21Å; L393-A397 HydrophobicContact CB-CB 4.37Å; L393-A397 PolarHBondContact O-N 2.98Å; A397-E399 VanDerWaalsContact C-N 3.3Å; A397-E399 PolarHBondContact O-N 3.46Å; A397-H400 HydrophobicContact CB-CB 4.33Å; A397-H400 WeakPolarHBondContact O-CB 3.5Å; A397-H400 PolarHBondContact O-N 3.32Å; A397-H400 VanDerWaalsContact O-N 3.1Å; A397-M401 PolarHBondContact O-N 3.01Å | ||
| 398 | P | 92.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -33.7 | -171.9 | 23.8 | -34.3 | 0 | 0 | 0 | 113.9 | V112 V394 V396 H400 M401 L402 Y409 L452 L454 | V112-P398 HydrophobicContact CB-CG 4.49Å; V112-P398 HydrophobicContact CG1-CB 3.88Å; V112-P398 HydrophobicContact CG1-CG 3.93Å; V394-P398 WeakPolarHBondContact O-CA 3.41Å; V394-P398 WeakPolarHBondContact O-CB 3.22Å; V394-P398 WeakPolarHBondContact O-CD 3.43Å; V396-P398 WeakPolarHBondContact O-CD 3.11Å; P398-H400 VanDerWaalsContact C-N 3.3Å; P398-H400 PolarHBondContact O-N 3.47Å; P398-M401 PolarHBondContact O-N 2.81Å; P398-L402 WeakPolarHBondContact O-CG 3.26Å; P398-L402 PolarHBondContact O-N 3.07Å; P398-Y409 HydrophobicContact CB-CE1 4.3Å; P398-L452 HydrophobicContact CG-CD1 3.9Å; P398-L454 HydrophobicContact CB-CD1 3.81Å; P398-L454 HydrophobicContact CB-CD2 4.06Å; P398-L454 HydrophobicContact CG-CD1 4.17Å; P398-L454 HydrophobicContact CG-CD2 4.14Å |
| 399 | E | 92.5 | Very high | 92.8 | Very high | 47 Ų | 47 | 28.9 Ų | 28.9 | 22% | 0.22 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.3 | -34 | 178 | -62.6 | -171.2 | 172.7 | 0 | 0 | 112.5 | L17 K107 V112 A397 L402 C403 | L17-E399 HydrophobicContact CD1-CB 3.86Å; K107-E399 WeakPolarHBondContact CE-OE1 3.16Å; K107-E399 IonicContact NZ-OE1 3.55Å; K107-E399 PolarHBondContact NZ-OE1 2.84Å; K107-E399 IonicContact NZ-OE2 3.83Å; K107-E399 PolarHBondContact NZ-OE2 2.75Å; V112-E399 HydrophobicContact CB-CG 4.45Å; V112-E399 HydrophobicContact CG1-CG 3.62Å; V112-E399 HydrophobicContact CG2-CG 3.91Å; V112-E399 VanDerWaalsContact CG2-OE1 3.27Å; V112-E399 WeakPolarHBondContact CG2-OE1 3.46Å; A397-E399 VanDerWaalsContact C-N 3.3Å; A397-E399 PolarHBondContact O-N 3.46Å; E399-L402 PolarHBondContact O-N 3.03Å; E399-C403 WeakPolarHBondContact O-CB 3.44Å; E399-C403 PolarHBondContact O-N 2.94Å |
| 400 | H | 93.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 12% | 0.116 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.7 | -39.2 | 176.5 | -61.3 | 79.9 | 0 | 0 | 0 | 110.5 | F3 L197 L390 A397 P398 C403 L404 | F3-H400 AromaticContact CE2-CE1 3.78Å; F3-H400 AromaticContact CE2-NE2 3.58Å; L197-H400 HydrophobicContact CD1-CB 4.09Å; L197-H400 WeakPolarHBondContact CD1-O 3.35Å; L390-H400 HydrophobicContact CD1-CB 3.92Å; L390-H400 HydrophobicContact CD2-CB 3.55Å; L390-H400 HydrophobicContact CG-CB 4.41Å; A397-H400 HydrophobicContact CB-CB 4.33Å; A397-H400 WeakPolarHBondContact O-CB 3.5Å; A397-H400 PolarHBondContact O-N 3.32Å; A397-H400 VanDerWaalsContact O-N 3.1Å; P398-H400 VanDerWaalsContact C-N 3.3Å; P398-H400 PolarHBondContact O-N 3.47Å; H400-C403 WeakPolarHBondContact O-CB 3.43Å; H400-C403 PolarHBondContact O-N 3.41Å; H400-L404 PolarHBondContact O-N 2.78Å |
| 401 | M | 92.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.034 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 173 | -178.1 | 61.5 | 79.4 | 0 | 0 | 111.2 | L390 V394 A397 P398 C403 L404 Q405 Y409 | L390-M401 HydrophobicContact CB-CE 3.64Å; L390-M401 HydrophobicContact CB-SD 4.34Å; L390-M401 WeakPolarHBondContact O-CE 3.15Å; V394-M401 HydrophobicContact CB-CE 4.05Å; V394-M401 HydrophobicContact CG2-CB 3.86Å; V394-M401 HydrophobicContact CG2-CE 4.25Å; V394-M401 HydrophobicContact CG2-CG 3.83Å; A397-M401 PolarHBondContact O-N 3.01Å; P398-M401 PolarHBondContact O-N 2.81Å; M401-C403 VanDerWaalsContact C-N 3.32Å; M401-C403 PolarHBondContact O-N 2.82Å; M401-L404 PolarHBondContact O-N 2.86Å; M401-Q405 WeakPolarHBondContact O-CB 3.42Å; M401-Q405 PolarHBondContact O-N 2.95Å; M401-Q405 HydrophobicContact SD-CG 3.82Å; M401-Y409 HydrophobicContact CB-CD1 4.47Å; M401-Y409 HydrophobicContact CG-CD1 3.94Å; M401-Y409 HydrophobicContact CG-CE1 4.47Å |
| 402 | L | 93 | Very high | 92 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -41.4 | 175.7 | -68.2 | 173.4 | 0 | 0 | 0 | 111.4 | V112 A113 P114 Y115 P398 E399 Q405 N406 G407 Y409 | V112-L402 HydrophobicContact CG1-CD1 3.72Å; A113-L402 WeakPolarHBondContact O-CD1 2.91Å; P114-L402 HydrophobicContact CG-CD2 4.4Å; Y115-L402 HydrophobicContact CE1-CB 4.31Å; Y115-L402 HydrophobicContact CE1-CD1 4.22Å; P398-L402 WeakPolarHBondContact O-CG 3.26Å; P398-L402 PolarHBondContact O-N 3.07Å; E399-L402 PolarHBondContact O-N 3.03Å; L402-Q405 PolarHBondContact O-N 3.08Å; L402-N406 PolarHBondContact O-N 3.3Å; L402-G407 WeakPolarHBondContact O-CA 3.33Å; L402-G407 PolarHBondContact O-N 3.2Å; L402-Y409 HydrophobicContact CD1-CE1 4.48Å; L402-Y409 HydrophobicContact CD2-CD1 3.92Å; L402-Y409 HydrophobicContact CD2-CE1 3.72Å; L402-Y409 HydrophobicContact CD2-CG 4.4Å; L402-Y409 HydrophobicContact CG-CD1 4.39Å; L402-Y409 HydrophobicContact CG-CE1 3.81Å |
| 403 | C | 92.5 | Very high | 91.6 | Very high | 26 Ų | 26 | 35.7 Ų | 35.7 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.8 | -53.6 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | L17 L197 E399 H400 M401 Q405 N406 | L17-C403 HydrophobicContact CB-CB 4.24Å; L17-C403 HydrophobicContact CD2-CB 4.33Å; L17-C403 WeakPolarHBondContact O-CB 3.44Å; L17-C403 PolarHBondContact O-SG 3.47Å; L197-C403 HydrophobicContact CD1-CB 4.07Å; E399-C403 WeakPolarHBondContact O-CB 3.44Å; E399-C403 PolarHBondContact O-N 2.94Å; H400-C403 WeakPolarHBondContact O-CB 3.43Å; H400-C403 PolarHBondContact O-N 3.41Å; M401-C403 VanDerWaalsContact C-N 3.32Å; M401-C403 PolarHBondContact O-N 2.82Å; C403-Q405 VanDerWaalsContact C-N 3.32Å; C403-Q405 PolarHBondContact O-N 3.11Å; C403-N406 PolarHBondContact O-N 3.04Å |
| 404 | L | 90.4 | Very high | 91.3 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -35.4 | -178 | -171.8 | 69.9 | 0 | 0 | 0 | 113.1 | L197 P386 G387 L390 H400 M401 | L197-L404 HydrophobicContact CD1-CB 4.2Å; L197-L404 HydrophobicContact CD2-CD1 4.28Å; P386-L404 HydrophobicContact CB-CD1 4.41Å; P386-L404 HydrophobicContact CB-CD2 4.38Å; G387-L404 VanDerWaalsContact CA-CD2 3.5Å; L390-L404 HydrophobicContact CD1-CB 4.08Å; L390-L404 HydrophobicContact CD1-CD2 3.94Å; H400-L404 PolarHBondContact O-N 2.78Å; M401-L404 PolarHBondContact O-N 2.86Å |
| 405 | Q | 89.6 | Confident | 91.2 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 36% | 0.355 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 27.6 | -176.3 | -68.8 | -69.9 | -22.2 | 0 | 0 | 112.9 | M401 L402 C403 G407 R408 | M401-Q405 WeakPolarHBondContact O-CB 3.42Å; M401-Q405 PolarHBondContact O-N 2.95Å; M401-Q405 HydrophobicContact SD-CG 3.82Å; L402-Q405 PolarHBondContact O-N 3.08Å; C403-Q405 VanDerWaalsContact C-N 3.32Å; C403-Q405 PolarHBondContact O-N 3.11Å; Q405-G407 VanDerWaalsContact C-N 3.32Å; Q405-G407 PolarHBondContact O-N 3.37Å; Q405-R408 WeakPolarHBondContact CB-O 3.39Å; Q405-R408 PolarHBondContact O-N 3.07Å |
| 406 | N | 88.1 | Confident | 91.3 | Very high | 129 Ų | 129 | 43.5 Ų | 43.5 | 69% | 0.69 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 46.1 | 174.2 | -64.6 | -62.5 | 0 | 0 | 0 | 113.8 | L402 C403 | L402-N406 PolarHBondContact O-N 3.3Å; C403-N406 PolarHBondContact O-N 3.04Å |
| 407 | G | 90.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 13.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P114 Y115 L402 Q405 | P114-G407 CarbonylContact C-O 3.51Å; P114-G407 VanDerWaalsContact CA-O 3.23Å; P114-G407 WeakPolarHBondContact CA-O 3.33Å; Y115-G407 PolarHBondContact N-O 3.14Å; L402-G407 WeakPolarHBondContact O-CA 3.33Å; L402-G407 PolarHBondContact O-N 3.2Å; Q405-G407 VanDerWaalsContact C-N 3.32Å; Q405-G407 PolarHBondContact O-N 3.37Å |
| 408 | R | 91.4 | Very high | 91.6 | Very high | 151 Ų | 151 | 43 Ų | 43 | 57% | 0.57 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -129.3 | 160 | -179.9 | -61 | -178.6 | -177 | 179.6 | 0.7 | 111.2 | Q405 | Q405-R408 WeakPolarHBondContact CB-O 3.39Å; Q405-R408 PolarHBondContact O-N 3.07Å |
| 409 | Y | 91.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 160 | 161.6 | -63 | -50 | 0 | 0 | 0 | 109.9 | P114 V394 P398 M401 L402 D455 L456 | P114-Y409 HydrophobicContact CG-CD2 3.68Å; P114-Y409 HydrophobicContact CG-CE2 3.93Å; P114-Y409 HydrophobicContact CG-CG 4.41Å; V394-Y409 HydrophobicContact CG2-CD1 4.23Å; V394-Y409 HydrophobicContact CG2-CE1 4.21Å; P398-Y409 HydrophobicContact CB-CE1 4.3Å; M401-Y409 HydrophobicContact CB-CD1 4.47Å; M401-Y409 HydrophobicContact CG-CD1 3.94Å; M401-Y409 HydrophobicContact CG-CE1 4.47Å; L402-Y409 HydrophobicContact CD1-CE1 4.48Å; L402-Y409 HydrophobicContact CD2-CD1 3.92Å; L402-Y409 HydrophobicContact CD2-CE1 3.72Å; L402-Y409 HydrophobicContact CD2-CG 4.4Å; L402-Y409 HydrophobicContact CG-CD1 4.39Å; L402-Y409 HydrophobicContact CG-CE1 3.81Å; Y409-D455 VanDerWaalsContact CD2-O 3.32Å; Y409-D455 WeakPolarHBondContact CD2-O 3.37Å; Y409-L456 HydrophobicContact CD2-CD2 4.2Å; Y409-L456 HydrophobicContact CE2-CD2 4.21Å; Y409-L456 HydrophobicContact CG-CD2 4.39Å |
| 410 | D | 88.9 | Confident | 92 | Very high | 39 Ų | 39 | 41 Ų | 41 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 167.2 | 172.9 | -162.3 | 3.9 | 0 | 0 | 0 | 110.4 | A412 R414 M415 | D410-A412 PolarHBondContact O-N 3.49Å; D410-R414 IonicContact OD1-CZ 2.79Å; D410-R414 VanDerWaalsContact OD1-CZ 3.29Å; D410-R414 IonicContact OD1-NE 3.3Å; D410-R414 PolarHBondContact OD1-NE 2.82Å; D410-R414 IonicContact OD1-NH2 3.23Å; D410-R414 PolarHBondContact OD1-NH2 2.73Å; D410-R414 IonicContact OD2-NE 3.89Å; D410-R414 PolarHBondContact OD2-NE 3.21Å; D410-M415 HydrophobicContact CB-SD 3.66Å |
| 411 | N | 89.6 | Confident | 92.1 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 42% | 0.422 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 130.8 | 173.5 | -174.5 | -54 | 0 | 0 | 0 | 110.2 | D413 R414 M415 | N411-D413 PolarHBondContact O-N 2.93Å; N411-D413 PolarHBondContact OD1-N 2.79Å; N411-R414 HydrophobicContact CB-CG 4.49Å; N411-R414 WeakPolarHBondContact O-CA 3.39Å; N411-R414 PolarHBondContact O-N 2.75Å; N411-M415 WeakPolarHBondContact O-CG 3.45Å; N411-M415 PolarHBondContact O-N 3.35Å |
| 412 | A | 89.4 | Confident | 92.3 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -31.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | D410 R414 M415 K458 V465 | D410-A412 PolarHBondContact O-N 3.49Å; A412-R414 VanDerWaalsContact C-N 3.3Å; A412-R414 PolarHBondContact O-N 2.84Å; A412-M415 PolarHBondContact O-N 2.89Å; A412-K458 VanDerWaalsContact CB-C 3.48Å; A412-K458 WeakPolarHBondContact CB-O 3.23Å; A412-V465 HydrophobicContact CB-CG2 3.86Å |
| 413 | D | 88.2 | Confident | 92.5 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -21.3 | 176.7 | -67 | -52.9 | 0 | 0 | 0 | 113.2 | N411 R459 Q460 | N411-D413 PolarHBondContact O-N 2.93Å; N411-D413 PolarHBondContact OD1-N 2.79Å; D413-R459 WeakPolarHBondContact OD1-CA 3.43Å; D413-R459 VanDerWaalsContact OD1-CB 3.27Å; D413-R459 WeakPolarHBondContact OD1-CB 3.41Å; D413-R459 IonicContact OD1-NE 3.78Å; D413-Q460 PolarHBondContact OD1-N 2.83Å; D413-Q460 VanDerWaalsContact OD1-N 3.16Å; D413-Q460 VanDerWaalsContact OD2-CG 3.25Å; D413-Q460 WeakPolarHBondContact OD2-CG 3.23Å; D413-Q460 PolarHBondContact OD2-N 2.97Å; D413-Q460 PolarHBondContact OD2-NE2 3.23Å |
| 414 | R | 90 | Very high | 92.7 | Very high | 160 Ų | 160 | 48 Ų | 48 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -4.9 | 177.2 | -61.5 | -166.5 | -62.2 | -134 | 1.1 | 113.5 | F391 D410 N411 A412 | F391-R414 VanDerWaalsContact CE2-O 3.23Å; F391-R414 WeakPolarHBondContact CE2-O 3.34Å; D410-R414 IonicContact OD1-CZ 2.79Å; D410-R414 VanDerWaalsContact OD1-CZ 3.29Å; D410-R414 IonicContact OD1-NE 3.3Å; D410-R414 PolarHBondContact OD1-NE 2.82Å; D410-R414 IonicContact OD1-NH2 3.23Å; D410-R414 PolarHBondContact OD1-NH2 2.73Å; D410-R414 IonicContact OD2-NE 3.89Å; D410-R414 PolarHBondContact OD2-NE 3.21Å; N411-R414 HydrophobicContact CB-CG 4.49Å; N411-R414 WeakPolarHBondContact O-CA 3.39Å; N411-R414 PolarHBondContact O-N 2.75Å; A412-R414 VanDerWaalsContact C-N 3.3Å; A412-R414 PolarHBondContact O-N 2.84Å |
| 415 | M | 92 | Very high | 92.9 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -73.8 | 155 | 177.5 | -70.5 | -63.2 | -75.7 | 0 | 0 | 111.7 | F391 V394 D410 N411 A412 N417 L456 V465 | F391-M415 VanDerWaalsContact CE2-C 3.48Å; V394-M415 HydrophobicContact CB-CE 4.14Å; V394-M415 HydrophobicContact CG1-CE 3.72Å; V394-M415 HydrophobicContact CG2-CE 3.78Å; D410-M415 HydrophobicContact CB-SD 3.66Å; N411-M415 WeakPolarHBondContact O-CG 3.45Å; N411-M415 PolarHBondContact O-N 3.35Å; A412-M415 PolarHBondContact O-N 2.89Å; M415-N417 PolarHBondContact O-N 2.89Å; M415-N417 PolarHBondContact O-ND2 3.04Å; M415-L456 HydrophobicContact CE-CD2 4.04Å; M415-V465 HydrophobicContact CB-CG1 4.38Å |
| 416 | F | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | trans | -67.5 | 100.2 | 176.1 | -178.8 | -140.7 | 0 | 0 | 0 | 110.3 | F391 Y392 R395 I419 T422 F440 F447 L448 V468 | F391-F416 HydrophobicContact CD1-CB 3.91Å; F391-F416 HydrophobicContact CD1-CD2 4.47Å; F391-F416 HydrophobicContact CD1-CG 4.27Å; F391-F416 HydrophobicContact CD2-CB 3.95Å; F391-F416 HydrophobicContact CE1-CB 3.61Å; F391-F416 AromaticContact CE1-CD2 3.57Å; F391-F416 HydrophobicContact CE1-CD2 3.57Å; F391-F416 HydrophobicContact CE1-CE2 4.46Å; F391-F416 AromaticContact CE1-CG 3.77Å; F391-F416 HydrophobicContact CE1-CG 3.77Å; F391-F416 VanDerWaalsContact CE2-CA 3.4Å; F391-F416 HydrophobicContact CE2-CB 3.67Å; F391-F416 HydrophobicContact CG-CB 4.07Å; F391-F416 VanDerWaalsContact CZ-CA 3.42Å; F391-F416 HydrophobicContact CZ-CB 3.49Å; F391-F416 VanDerWaalsContact CZ-CB 3.49Å; F391-F416 AromaticContact CZ-CD2 3.7Å; F391-F416 HydrophobicContact CZ-CD2 3.7Å; F391-F416 AromaticContact CZ-CG 3.97Å; F391-F416 HydrophobicContact CZ-CG 3.97Å; F391-F416 WeakPolarHBondContact O-CB 3.41Å; Y392-F416 HydrophobicContact CD1-CD1 4.19Å; Y392-F416 HydrophobicContact CD1-CD2 4.35Å; Y392-F416 HydrophobicContact CD1-CE1 4.11Å; Y392-F416 HydrophobicContact CD1-CE2 4.29Å; Y392-F416 HydrophobicContact CD1-CG 4.32Å; Y392-F416 HydrophobicContact CD1-CZ 4.17Å; R395-F416 VanDerWaalsContact CZ-O 3.27Å; R395-F416 PolarHBondContact NH1-O 2.95Å; R395-F416 PolarHBondContact NH2-O 2.8Å; F416-I419 HydrophobicContact CE2-CG1 4.46Å; F416-I419 HydrophobicContact CZ-CG1 4.27Å; F416-T422 WeakPolarHBondContact CD2-OG1 3.5Å; F416-F440 HydrophobicContact CE1-CZ 4.31Å; F416-F440 HydrophobicContact CZ-CE1 4.31Å; F416-F440 AromaticContact CZ-CZ 3.86Å; F416-F440 HydrophobicContact CZ-CZ 3.86Å; F416-F447 HydrophobicContact CE1-CD2 4.46Å; F416-F447 HydrophobicContact CE1-CE2 4.44Å; F416-L448 HydrophobicContact CE1-CD2 3.89Å; F416-L448 HydrophobicContact CZ-CD2 4.06Å; F416-V468 HydrophobicContact CD1-CG2 3.77Å; F416-V468 HydrophobicContact CE1-CB 4.47Å; F416-V468 HydrophobicContact CE1-CG1 4.08Å; F416-V468 HydrophobicContact CE1-CG2 3.65Å; F416-V468 HydrophobicContact CE2-CG1 3.99Å; F416-V468 HydrophobicContact CG-CG2 4.4Å; F416-V468 HydrophobicContact CZ-CG1 3.71Å; F416-V468 HydrophobicContact CZ-CG2 4.17Å | ||
| 417 | N | 94.2 | Very high | 93.5 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | trans | -114 | -31.9 | -170.6 | 62 | 32.7 | 0 | 0 | 0 | 113.1 | M415 E421 V468 V469 | M415-N417 PolarHBondContact O-N 2.89Å; M415-N417 PolarHBondContact O-ND2 3.04Å; N417-E421 PolarHBondContact OD1-OE2 3.46Å; N417-V468 WeakPolarHBondContact O-CA 3.44Å; N417-V469 PolarHBondContact O-N 3.42Å | ||
| 418 | S | 96.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -153.9 | 138.8 | -174 | 173.3 | 0 | 0 | 0 | 0 | 109.4 | G420 E421 T422 V469 | S418-G420 PolarHBondContact OG-N 3.45Å; S418-E421 PolarHBondContact OG-N 3.05Å; S418-T422 VanDerWaalsContact O-CB 3.31Å; S418-T422 WeakPolarHBondContact O-CB 3.29Å; S418-T422 PolarHBondContact O-N 3.23Å; S418-T422 PolarHBondContact O-OG1 3.49Å; S418-V469 WeakPolarHBondContact CA-O 3.33Å; S418-V469 PolarHBondContact OG-O 3.18Å |
| 419 | I | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -45.1 | 177.5 | -53.1 | -171.2 | 0 | 0 | 0 | 110.3 | W329 Y334 F416 T422 W423 L448 V468 V469 L470 F480 | W329-I419 HydrophobicContact CH2-CG2 4.35Å; W329-I419 HydrophobicContact CZ3-CG2 4.2Å; Y334-I419 HydrophobicContact CD1-CB 4.4Å; Y334-I419 HydrophobicContact CD1-CG2 3.58Å; Y334-I419 HydrophobicContact CE1-CG2 3.45Å; Y334-I419 VanDerWaalsContact CE1-CG2 3.45Å; Y334-I419 HydrophobicContact CG-CG2 4.41Å; F416-I419 HydrophobicContact CE2-CG1 4.46Å; F416-I419 HydrophobicContact CZ-CG1 4.27Å; I419-T422 PolarHBondContact O-N 3.36Å; I419-W423 PolarHBondContact O-N 3.25Å; I419-L448 HydrophobicContact CD1-CD2 4.4Å; I419-V468 HydrophobicContact CG1-CG1 3.81Å; I419-V469 PolarHBondContact N-O 2.95Å; I419-V469 VanDerWaalsContact N-O 3.12Å; I419-L470 HydrophobicContact CD1-CD2 3.69Å; I419-L470 HydrophobicContact CG1-CD2 4.44Å; I419-F480 HydrophobicContact CD1-CD1 3.91Å; I419-F480 HydrophobicContact CD1-CD2 3.86Å; I419-F480 HydrophobicContact CD1-CE1 3.49Å; I419-F480 VanDerWaalsContact CD1-CE1 3.49Å; I419-F480 HydrophobicContact CD1-CE2 3.43Å; I419-F480 VanDerWaalsContact CD1-CE2 3.43Å; I419-F480 HydrophobicContact CD1-CG 4.1Å; I419-F480 HydrophobicContact CD1-CZ 3.25Å; I419-F480 HydrophobicContact CG2-CE2 4.25Å; I419-F480 HydrophobicContact CG2-CZ 4.17Å |
| 420 | G | 96.9 | Very high | 93.3 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S418 T422 W423 K424 | S418-G420 PolarHBondContact OG-N 3.45Å; G420-T422 VanDerWaalsContact C-N 3.3Å; G420-T422 PolarHBondContact O-N 3.39Å; G420-W423 PolarHBondContact O-N 3.29Å; G420-K424 WeakPolarHBondContact O-CB 3.28Å; G420-K424 PolarHBondContact O-N 2.95Å |
| 421 | E | 95.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 174.6 | -65 | -174.3 | -161.8 | 0 | 0 | 111.1 | N417 S418 K424 N425 R459 | N417-E421 PolarHBondContact OD1-OE2 3.46Å; S418-E421 PolarHBondContact OG-N 3.05Å; E421-K424 PolarHBondContact O-N 2.99Å; E421-N425 WeakPolarHBondContact O-CB 3.22Å; E421-N425 PolarHBondContact O-N 3.11Å; E421-N425 PolarHBondContact O-ND2 2.74Å; E421-R459 IonicContact OE1-CZ 3.68Å; E421-R459 IonicContact OE1-NH1 2.97Å; E421-R459 PolarHBondContact OE1-NH1 3.17Å; E421-R459 IonicContact OE1-NH2 3.57Å; E421-R459 PolarHBondContact OE1-NH2 2.81Å; E421-R459 IonicContact OE2-CZ 3.24Å; E421-R459 IonicContact OE2-NH1 3.75Å; E421-R459 PolarHBondContact OE2-NH1 3.42Å; E421-R459 IonicContact OE2-NH2 3.67Å; E421-R459 PolarHBondContact OE2-NH2 2.95Å |
| 422 | T | 97.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -48 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | W329 F391 Y392 F416 S418 I419 G420 K424 N425 C426 | W329-T422 HydrophobicContact CH2-CG2 4.41Å; W329-T422 HydrophobicContact CZ2-CG2 4.14Å; F391-T422 HydrophobicContact CE1-CG2 3.85Å; F391-T422 HydrophobicContact CZ-CG2 4.04Å; Y392-T422 HydrophobicContact CE1-CG2 4.36Å; F416-T422 WeakPolarHBondContact CD2-OG1 3.5Å; S418-T422 VanDerWaalsContact O-CB 3.31Å; S418-T422 WeakPolarHBondContact O-CB 3.29Å; S418-T422 PolarHBondContact O-N 3.23Å; S418-T422 PolarHBondContact O-OG1 3.49Å; I419-T422 PolarHBondContact O-N 3.36Å; G420-T422 VanDerWaalsContact C-N 3.3Å; G420-T422 PolarHBondContact O-N 3.39Å; T422-K424 VanDerWaalsContact C-N 3.33Å; T422-K424 PolarHBondContact O-N 3.44Å; T422-N425 PolarHBondContact O-N 3.1Å; T422-C426 PolarHBondContact O-N 2.84Å; T422-C426 PolarHBondContact O-SG 3.38Å |
| 423 | W | 97.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 175.6 | 173.2 | -118.8 | 0 | 0 | 0 | 111.7 | W329 A332 Y334 R348 L357 I419 G420 N425 C426 L427 | W329-W423 HydrophobicContact CB-CE3 4.22Å; W329-W423 HydrophobicContact CB-CH2 4.27Å; W329-W423 HydrophobicContact CB-CZ3 3.58Å; W329-W423 AromaticContact CD1-CZ3 3.95Å; W329-W423 AromaticContact CD2-CE3 3.56Å; W329-W423 HydrophobicContact CD2-CE3 3.56Å; W329-W423 AromaticContact CD2-CZ3 3.83Å; W329-W423 HydrophobicContact CD2-CZ3 3.83Å; W329-W423 AromaticContact CE2-CE3 3.97Å; W329-W423 HydrophobicContact CE3-CD2 4.48Å; W329-W423 AromaticContact CE3-CE3 3.78Å; W329-W423 HydrophobicContact CE3-CE3 3.78Å; W329-W423 HydrophobicContact CE3-CZ3 4.31Å; W329-W423 AromaticContact CG-CE3 3.78Å; W329-W423 HydrophobicContact CG-CE3 3.78Å; W329-W423 AromaticContact CG-CZ3 3.5Å; W329-W423 HydrophobicContact CG-CZ3 3.5Å; W329-W423 HydrophobicContact CH2-CB 4.24Å; W329-W423 HydrophobicContact CZ3-CB 4.23Å; W329-W423 HydrophobicContact CZ3-CE3 4.35Å; A332-W423 HydrophobicContact CB-CZ2 3.9Å; A332-W423 PolarHBondContact O-NE1 2.69Å; Y334-W423 HydrophobicContact CD2-CB 3.72Å; Y334-W423 AromaticContact CD2-CD1 3.48Å; Y334-W423 VanDerWaalsContact CD2-CD1 3.48Å; Y334-W423 HydrophobicContact CD2-CD2 4.47Å; Y334-W423 AromaticContact CD2-CG 3.62Å; Y334-W423 HydrophobicContact CD2-CG 3.62Å; Y334-W423 HydrophobicContact CE2-CB 3.77Å; Y334-W423 AromaticContact CE2-CD1 3.77Å; Y334-W423 HydrophobicContact CE2-CD2 4.01Å; Y334-W423 AromaticContact CE2-CG 3.57Å; Y334-W423 HydrophobicContact CE2-CG 3.57Å; R348-W423 HydrophobicContact CB-CH2 4.34Å; R348-W423 HydrophobicContact CG-CH2 4.09Å; L357-W423 HydrophobicContact CD1-CH2 3.58Å; L357-W423 HydrophobicContact CD1-CZ2 4.36Å; L357-W423 HydrophobicContact CD1-CZ3 4.27Å; I419-W423 PolarHBondContact O-N 3.25Å; G420-W423 PolarHBondContact O-N 3.29Å; W423-N425 PolarHBondContact O-N 3.45Å; W423-C426 WeakPolarHBondContact O-CB 3.41Å; W423-C426 PolarHBondContact O-N 3.25Å; W423-C426 VanDerWaalsContact O-N 3.17Å; W423-L427 HydrophobicContact CD2-CD1 4.44Å; W423-L427 HydrophobicContact CH2-CD2 4.2Å; W423-L427 HydrophobicContact CZ2-CD1 4.06Å; W423-L427 HydrophobicContact CZ2-CD2 4.13Å; W423-L427 HydrophobicContact CZ2-CG 4.37Å; W423-L427 WeakPolarHBondContact O-CG 3.3Å; W423-L427 PolarHBondContact O-N 2.84Å |
| 424 | K | 96.3 | Very high | 94.1 | Very high | 112 Ų | 112 | 41.3 Ų | 41.3 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 176.2 | -175 | 178.7 | 177.5 | 179.6 | 0 | 112.1 | G420 E421 T422 C426 L427 E428 | G420-K424 WeakPolarHBondContact O-CB 3.28Å; G420-K424 PolarHBondContact O-N 2.95Å; E421-K424 PolarHBondContact O-N 2.99Å; T422-K424 VanDerWaalsContact C-N 3.33Å; T422-K424 PolarHBondContact O-N 3.44Å; K424-C426 VanDerWaalsContact C-N 3.31Å; K424-C426 PolarHBondContact O-N 3Å; K424-L427 WeakPolarHBondContact O-CB 3.38Å; K424-L427 PolarHBondContact O-N 3.38Å; K424-E428 WeakPolarHBondContact CE-OE1 3.17Å; K424-E428 WeakPolarHBondContact CE-OE2 3.47Å; K424-E428 HydrophobicContact CG-CG 4.47Å; K424-E428 PolarHBondContact O-N 2.86Å |
| 425 | N | 95.4 | Very high | 94.5 | Very high | 75 Ų | 75 | 34.2 Ų | 34.2 | 40% | 0.401 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.5 | -37.8 | 176.2 | -72.8 | -23.9 | 0 | 0 | 0 | 111.9 | E421 T422 W423 L427 E428 G429 | E421-N425 WeakPolarHBondContact O-CB 3.22Å; E421-N425 PolarHBondContact O-N 3.11Å; E421-N425 PolarHBondContact O-ND2 2.74Å; T422-N425 PolarHBondContact O-N 3.1Å; W423-N425 PolarHBondContact O-N 3.45Å; N425-L427 PolarHBondContact O-N 3.11Å; N425-E428 PolarHBondContact O-N 3.3Å; N425-G429 VanDerWaalsContact O-CA 3.26Å; N425-G429 WeakPolarHBondContact O-CA 3.03Å; N425-G429 PolarHBondContact O-N 3.03Å |
| 426 | C | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.7 | -19.6 | 173.1 | -67.7 | 0 | 0 | 0 | 0 | 113.3 | V354 R361 T422 W423 K424 D432 | V354-C426 HydrophobicContact CG1-CB 4Å; V354-C426 WeakPolarHBondContact CG1-O 3.31Å; R361-C426 PolarHBondContact NH1-O 3.46Å; R361-C426 PolarHBondContact NH2-O 2.89Å; T422-C426 PolarHBondContact O-N 2.84Å; T422-C426 PolarHBondContact O-SG 3.38Å; W423-C426 WeakPolarHBondContact O-CB 3.41Å; W423-C426 PolarHBondContact O-N 3.25Å; W423-C426 VanDerWaalsContact O-N 3.17Å; K424-C426 VanDerWaalsContact C-N 3.31Å; K424-C426 PolarHBondContact O-N 3Å; C426-D432 VanDerWaalsContact O-O 3.14Å; C426-D432 PolarHBondContact SG-OD1 2.91Å; C426-D432 VanDerWaalsContact SG-OD1 3.33Å |
| 427 | L | 94.3 | Very high | 94.8 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 19% | 0.194 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -94.1 | -32.3 | 176.1 | -63.3 | 179.3 | 0 | 0 | 0 | 113.7 | L357 N358 R361 W423 K424 N425 | L357-L427 HydrophobicContact CB-CD2 3.6Å; L357-L427 HydrophobicContact CD1-CD2 3.68Å; L357-L427 HydrophobicContact CG-CD2 4.32Å; N358-L427 VanDerWaalsContact CB-O 3.24Å; N358-L427 WeakPolarHBondContact CB-O 3.28Å; N358-L427 PolarHBondContact ND2-O 3.5Å; R361-L427 WeakPolarHBondContact CD-O 3.31Å; R361-L427 VanDerWaalsContact CZ-C 3.43Å; R361-L427 PolarHBondContact NE-O 3.13Å; R361-L427 VanDerWaalsContact NH1-C 3.32Å; R361-L427 PolarHBondContact NH1-O 3.34Å; R361-L427 PolarHBondContact NH2-O 3.35Å; W423-L427 HydrophobicContact CD2-CD1 4.44Å; W423-L427 HydrophobicContact CH2-CD2 4.2Å; W423-L427 HydrophobicContact CZ2-CD1 4.06Å; W423-L427 HydrophobicContact CZ2-CD2 4.13Å; W423-L427 HydrophobicContact CZ2-CG 4.37Å; W423-L427 WeakPolarHBondContact O-CG 3.3Å; W423-L427 PolarHBondContact O-N 2.84Å; K424-L427 WeakPolarHBondContact O-CB 3.38Å; K424-L427 PolarHBondContact O-N 3.38Å; N425-L427 PolarHBondContact O-N 3.11Å |
| 428 | E | 93.9 | Very high | 94.8 | Very high | 115 Ų | 115 | 34 Ų | 34 | 54% | 0.537 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -109.8 | -26.3 | -171.3 | -64.9 | 175.8 | -173.2 | 0 | 0 | 113.3 | K424 N425 | K424-E428 WeakPolarHBondContact CE-OE1 3.17Å; K424-E428 WeakPolarHBondContact CE-OE2 3.47Å; K424-E428 HydrophobicContact CG-CG 4.47Å; K424-E428 PolarHBondContact O-N 2.86Å; N425-E428 PolarHBondContact O-N 3.3Å |
| 429 | G | 90.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 22% | 0.216 | 19% | 0.19 | C | C | . | . | trans | -62.9 | 140.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R361 N425 T431 | R361-G429 WeakPolarHBondContact CD-O 3.32Å; R361-G429 PolarHBondContact NH1-O 3.45Å; N425-G429 VanDerWaalsContact O-CA 3.26Å; N425-G429 WeakPolarHBondContact O-CA 3.03Å; N425-G429 PolarHBondContact O-N 3.03Å; G429-T431 VanDerWaalsContact C-N 3.33Å; G429-T431 PolarHBondContact O-N 3.15Å | ||
| 430 | A | 86 | Confident | 94.7 | Very high | 78 Ų | 78 | 34.2 Ų | 34.2 | 65% | 0.645 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -69 | -29.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 431 | T | 88.8 | Confident | 94.6 | Very high | 87 Ų | 87 | 33.8 Ų | 33.8 | 53% | 0.534 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -128.6 | 11.8 | -175.9 | 58.2 | 0 | 0 | 0 | 0 | 112.4 | S381 Y388 G429 | S381-T431 WeakPolarHBondContact CB-O 3.47Å; S381-T431 PolarHBondContact OG-O 3.25Å; Y388-T431 PolarHBondContact OH-O 3.45Å; G429-T431 VanDerWaalsContact C-N 3.33Å; G429-T431 PolarHBondContact O-N 3.15Å |
| 432 | D | 93.1 | Very high | 94.4 | Very high | 23 Ų | 23 | 31.1 Ų | 31.1 | 12% | 0.123 | 18% | 0.177 | C | C | . | . | trans | -104.8 | 102 | -171.4 | -165.1 | -17.2 | 0 | 0 | 0 | 110.6 | R361 C426 K434 | R361-D432 PolarHBondContact NH1-O 3.41Å; C426-D432 VanDerWaalsContact O-O 3.14Å; C426-D432 PolarHBondContact SG-OD1 2.91Å; C426-D432 VanDerWaalsContact SG-OD1 3.33Å; D432-K434 WeakPolarHBondContact OD1-CE 3.18Å; D432-K434 WeakPolarHBondContact OD1-CG 3.4Å; D432-K434 IonicContact OD1-NZ 2.62Å; D432-K434 PolarHBondContact OD1-NZ 3.08Å; D432-K434 IonicContact OD2-NZ 3.72Å; D432-K434 PolarHBondContact OD2-NZ 2.78Å | ||
| 433 | F | 94 | Very high | 94.1 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | trans | -129.2 | 23.8 | -175 | -50.8 | -66.6 | 0 | 0 | 0 | 112.3 | L365 Y379 Y383 | L365-F433 HydrophobicContact CD1-CE1 3.96Å; L365-F433 HydrophobicContact CD1-CZ 4.02Å; L365-F433 HydrophobicContact CD2-CZ 4.21Å; Y379-F433 AromaticContact CD1-CD1 3.97Å; Y379-F433 HydrophobicContact CD1-CD1 3.97Å; Y379-F433 AromaticContact CD1-CD2 3.93Å; Y379-F433 HydrophobicContact CD1-CD2 3.93Å; Y379-F433 AromaticContact CD1-CE1 3.86Å; Y379-F433 HydrophobicContact CD1-CE1 3.86Å; Y379-F433 AromaticContact CD1-CE2 3.82Å; Y379-F433 HydrophobicContact CD1-CE2 3.82Å; Y379-F433 HydrophobicContact CD1-CG 4.01Å; Y379-F433 AromaticContact CD1-CZ 3.8Å; Y379-F433 HydrophobicContact CD1-CZ 3.8Å; Y379-F433 HydrophobicContact CE1-CD1 4.15Å; Y379-F433 HydrophobicContact CE1-CE1 4.02Å; Y379-F433 HydrophobicContact CE1-CZ 4.34Å; Y379-F433 HydrophobicContact CG-CD2 4.46Å; Y383-F433 WeakPolarHBondContact CA-O 3.34Å; Y383-F433 VanDerWaalsContact CB-O 3.24Å; Y383-F433 WeakPolarHBondContact CB-O 3.44Å | ||
| 434 | K | 95.8 | Very high | 93.8 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | trans | -65.5 | 137.2 | -171.8 | -13.3 | -172.8 | 176.1 | 71 | 0 | 111.2 | W329 Y383 Y388 D432 | W329-K434 PolarHBondContact NE1-O 3.33Å; Y383-K434 WeakPolarHBondContact O-CA 3.34Å; Y388-K434 HydrophobicContact CD1-CD 3.45Å; Y388-K434 VanDerWaalsContact CD1-CD 3.45Å; Y388-K434 HydrophobicContact CD1-CG 4.08Å; Y388-K434 HydrophobicContact CD2-CB 3.58Å; Y388-K434 HydrophobicContact CD2-CD 3.76Å; Y388-K434 HydrophobicContact CD2-CG 3.54Å; Y388-K434 HydrophobicContact CE1-CD 3.77Å; Y388-K434 HydrophobicContact CE1-CG 4.08Å; Y388-K434 HydrophobicContact CE2-CB 3.89Å; Y388-K434 HydrophobicContact CE2-CD 4.03Å; Y388-K434 HydrophobicContact CE2-CG 3.52Å; Y388-K434 HydrophobicContact CG-CB 4.08Å; Y388-K434 HydrophobicContact CG-CD 3.45Å; Y388-K434 VanDerWaalsContact CG-CD 3.45Å; Y388-K434 HydrophobicContact CG-CG 3.82Å; D432-K434 WeakPolarHBondContact OD1-CE 3.18Å; D432-K434 WeakPolarHBondContact OD1-CG 3.4Å; D432-K434 IonicContact OD1-NZ 2.62Å; D432-K434 PolarHBondContact OD1-NZ 3.08Å; D432-K434 IonicContact OD2-NZ 3.72Å; D432-K434 PolarHBondContact OD2-NZ 2.78Å | ||
| 435 | E | 97.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | trans | -89.3 | -179.1 | 161.3 | -72 | -71.4 | -173.6 | 0 | 0 | 109.6 | V326 W329 R348 V354 Y383 Y392 W500 | V326-E435 HydrophobicContact CG1-CB 3.7Å; V326-E435 HydrophobicContact CG1-CG 4.34Å; W329-E435 PolarHBondContact N-OE2 2.6Å; R348-E435 IonicContact CZ-OE1 3.45Å; R348-E435 VanDerWaalsContact CZ-OE1 3.26Å; R348-E435 IonicContact CZ-OE2 2.77Å; R348-E435 VanDerWaalsContact NH1-CD 3.35Å; R348-E435 IonicContact NH1-OE1 3.43Å; R348-E435 PolarHBondContact NH1-OE1 3.45Å; R348-E435 IonicContact NH1-OE2 3.24Å; R348-E435 PolarHBondContact NH1-OE2 3.03Å; R348-E435 IonicContact NH2-OE1 3.49Å; R348-E435 PolarHBondContact NH2-OE1 3.14Å; V354-E435 HydrophobicContact CG2-CG 4.19Å; V354-E435 WeakPolarHBondContact CG2-OE1 3.37Å; Y383-E435 HydrophobicContact CD2-CG 4.43Å; Y383-E435 HydrophobicContact CG-CG 4.28Å; Y383-E435 PolarHBondContact O-N 2.77Å; Y392-E435 PolarHBondContact OH-O 3.05Å; Y392-E435 VanDerWaalsContact OH-O 3.12Å; E435-W500 PolarHBondContact OE1-NE1 2.82Å | ||
| 436 | L | 97.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -89.6 | 170 | 179.6 | -67.4 | -176.7 | 0 | 0 | 0 | 112.2 | F327 W329 F440 Y441 | F327-L436 PolarHBondContact N-O 2.73Å; F327-L436 CarbonylContact O-C 3.55Å; F327-L436 WeakPolarHBondContact O-CA 3.2Å; F327-L436 WeakPolarHBondContact O-CB 3.37Å; F327-L436 PolarHBondContact O-N 3.37Å; F327-L436 VanDerWaalsContact O-O 3.09Å; W329-L436 HydrophobicContact CD2-CD1 3.82Å; W329-L436 HydrophobicContact CD2-CD2 3.72Å; W329-L436 HydrophobicContact CD2-CG 3.6Å; W329-L436 HydrophobicContact CE3-CD1 3.76Å; W329-L436 HydrophobicContact CE3-CD2 3.99Å; W329-L436 HydrophobicContact CE3-CG 4.02Å; W329-L436 HydrophobicContact CG-CD1 4.16Å; W329-L436 HydrophobicContact CG-CD2 4.41Å; W329-L436 HydrophobicContact CG-CG 3.85Å; W329-L436 HydrophobicContact CH2-CD2 3.72Å; W329-L436 HydrophobicContact CZ2-CD2 3.42Å; W329-L436 VanDerWaalsContact CZ2-CD2 3.42Å; W329-L436 HydrophobicContact CZ2-CG 4.25Å; W329-L436 HydrophobicContact CZ3-CD1 4.28Å; W329-L436 HydrophobicContact CZ3-CD2 3.99Å; W329-L436 HydrophobicContact CZ3-CG 4.5Å; L436-F440 HydrophobicContact CB-CD2 4.38Å; L436-F440 HydrophobicContact CD1-CB 4.17Å; L436-F440 HydrophobicContact CD1-CD1 4.3Å; L436-F440 HydrophobicContact CD1-CG 4.15Å; L436-F440 HydrophobicContact CD2-CD1 4.12Å; L436-F440 HydrophobicContact CD2-CD2 3.93Å; L436-F440 HydrophobicContact CD2-CE1 4.08Å; L436-F440 HydrophobicContact CD2-CE2 3.88Å; L436-F440 HydrophobicContact CD2-CG 4.05Å; L436-F440 HydrophobicContact CD2-CZ 3.96Å; L436-Y441 HydrophobicContact CD1-CE2 4.14Å |
| 437 | I | 96.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | trans | -108.6 | 158.9 | 172 | 60.3 | 173.4 | 0 | 0 | 0 | 110.2 | Y324 V389 Y392 L393 D439 F440 | Y324-I437 HydrophobicContact CD1-CB 4.25Å; Y324-I437 HydrophobicContact CD1-CG2 3.79Å; Y324-I437 HydrophobicContact CE1-CB 3.97Å; Y324-I437 HydrophobicContact CE1-CG2 3.94Å; V389-I437 HydrophobicContact CG2-CG2 4.27Å; Y392-I437 HydrophobicContact CD2-CD1 4.13Å; Y392-I437 HydrophobicContact CD2-CG1 4.14Å; Y392-I437 HydrophobicContact CD2-CG2 4.07Å; Y392-I437 HydrophobicContact CE2-CG2 4.44Å; Y392-I437 HydrophobicContact CG-CD1 4.35Å; L393-I437 HydrophobicContact CD1-CD1 4.25Å; L393-I437 HydrophobicContact CD2-CD1 3.76Å; L393-I437 HydrophobicContact CG-CD1 3.87Å; I437-D439 HydrophobicContact CD1-CB 3.88Å; I437-D439 WeakPolarHBondContact CD1-OD2 3.36Å; I437-D439 HydrophobicContact CG1-CB 4.03Å; I437-D439 PolarHBondContact O-N 3.47Å; I437-D439 VanDerWaalsContact O-N 3.09Å; I437-F440 HydrophobicContact CG1-CD2 3.72Å; I437-F440 HydrophobicContact CG1-CE2 3.98Å; I437-F440 PolarHBondContact O-N 2.85Å | ||
| 438 | P | 94.8 | Very high | 93.7 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -55.2 | -29.1 | -180 | -22 | 28.5 | 0 | 0 | 0 | 114 | F255 Y304 P325 F327 F440 Y441 G442 | F255-P438 HydrophobicContact CE2-CB 4.35Å; F255-P438 HydrophobicContact CE2-CG 3.78Å; F255-P438 HydrophobicContact CZ-CG 4.26Å; Y304-P438 HydrophobicContact CE2-CB 4.41Å; P325-P438 HydrophobicContact CB-CG 3.74Å; P325-P438 WeakPolarHBondContact O-CD 3.45Å; F327-P438 HydrophobicContact CD2-CB 4.08Å; F327-P438 HydrophobicContact CD2-CG 3.64Å; F327-P438 HydrophobicContact CE2-CB 3.93Å; F327-P438 HydrophobicContact CE2-CG 3.64Å; F327-P438 HydrophobicContact CZ-CB 4.28Å; F327-P438 HydrophobicContact CZ-CG 4.46Å; P438-F440 PolarHBondContact O-N 3Å; P438-F440 VanDerWaalsContact O-N 3.11Å; P438-Y441 PolarHBondContact O-N 2.88Å; P438-G442 PolarHBondContact O-N 3.02Å |
| 439 | D | 93.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -55.7 | -27.9 | -179.8 | -60.6 | -102.3 | 0 | 0 | 0 | 113.5 | A2 Y324 I437 Y441 G442 F447 | A2-D439 PolarHBondContact N-OD1 2.79Å; Y324-D439 PolarHBondContact OH-OD2 2.83Å; I437-D439 HydrophobicContact CD1-CB 3.88Å; I437-D439 WeakPolarHBondContact CD1-OD2 3.36Å; I437-D439 HydrophobicContact CG1-CB 4.03Å; I437-D439 PolarHBondContact O-N 3.47Å; I437-D439 VanDerWaalsContact O-N 3.09Å; D439-Y441 PolarHBondContact O-N 2.91Å; D439-G442 PolarHBondContact O-N 2.82Å; D439-F447 HydrophobicContact CB-CD1 4.19Å; D439-F447 HydrophobicContact CB-CE1 3.97Å; D439-F447 HydrophobicContact CB-CZ 4.34Å; D439-F447 WeakPolarHBondContact O-CE1 3.35Å |
| 440 | F | 97 | Very high | 94 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -68.5 | -15 | 175.2 | -80.6 | -98 | 0 | 0 | 0 | 114.3 | Y392 F416 L436 I437 P438 F447 F480 L481 S484 | Y392-F440 AromaticContact CD1-CE2 3.69Å; Y392-F440 HydrophobicContact CD1-CE2 3.69Å; Y392-F440 AromaticContact CD1-CZ 3.66Å; Y392-F440 HydrophobicContact CD1-CZ 3.66Å; Y392-F440 HydrophobicContact CD2-CE2 4.21Å; Y392-F440 HydrophobicContact CE1-CE2 4.02Å; Y392-F440 AromaticContact CE1-CZ 3.88Å; Y392-F440 HydrophobicContact CE1-CZ 3.88Å; Y392-F440 AromaticContact CG-CE2 3.8Å; Y392-F440 HydrophobicContact CG-CE2 3.8Å; Y392-F440 HydrophobicContact CG-CZ 4.25Å; F416-F440 HydrophobicContact CE1-CZ 4.31Å; F416-F440 HydrophobicContact CZ-CE1 4.31Å; F416-F440 AromaticContact CZ-CZ 3.86Å; F416-F440 HydrophobicContact CZ-CZ 3.86Å; L436-F440 HydrophobicContact CB-CD2 4.38Å; L436-F440 HydrophobicContact CD1-CB 4.17Å; L436-F440 HydrophobicContact CD1-CD1 4.3Å; L436-F440 HydrophobicContact CD1-CG 4.15Å; L436-F440 HydrophobicContact CD2-CD1 4.12Å; L436-F440 HydrophobicContact CD2-CD2 3.93Å; L436-F440 HydrophobicContact CD2-CE1 4.08Å; L436-F440 HydrophobicContact CD2-CE2 3.88Å; L436-F440 HydrophobicContact CD2-CG 4.05Å; L436-F440 HydrophobicContact CD2-CZ 3.96Å; I437-F440 HydrophobicContact CG1-CD2 3.72Å; I437-F440 HydrophobicContact CG1-CE2 3.98Å; I437-F440 PolarHBondContact O-N 2.85Å; P438-F440 PolarHBondContact O-N 3Å; P438-F440 VanDerWaalsContact O-N 3.11Å; F440-F447 HydrophobicContact CD1-CZ 4.42Å; F440-F447 HydrophobicContact CD2-CE2 4.13Å; F440-F447 HydrophobicContact CD2-CZ 4.17Å; F440-F447 HydrophobicContact CE1-CE2 4.27Å; F440-F447 AromaticContact CE2-CE2 3.78Å; F440-F447 HydrophobicContact CE2-CE2 3.78Å; F440-F447 HydrophobicContact CE2-CZ 4.28Å; F440-F447 HydrophobicContact CG-CZ 4.25Å; F440-F447 AromaticContact CZ-CE2 3.86Å; F440-F447 HydrophobicContact CZ-CE2 3.86Å; F440-F447 HydrophobicContact CZ-CZ 4.46Å; F440-F480 AromaticContact CD1-CE1 3.93Å; F440-F480 HydrophobicContact CD1-CE1 3.93Å; F440-F480 HydrophobicContact CD1-CZ 4.14Å; F440-F480 HydrophobicContact CE1-CE1 4.35Å; F440-F480 HydrophobicContact CE1-CZ 4.49Å; F440-L481 WeakPolarHBondContact O-CD2 3.44Å; F440-S484 WeakPolarHBondContact O-CB 3.37Å |
| 441 | Y | 96.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -119.4 | 7.4 | 178.7 | -55.3 | -75.4 | 0 | 0 | 0 | 112.1 | F327 P328 I330 L436 P438 D439 S484 L488 | F327-Y441 HydrophobicContact CB-CD2 4.15Å; F327-Y441 HydrophobicContact CB-CE2 3.92Å; F327-Y441 AromaticContact CD1-CD2 3.51Å; F327-Y441 HydrophobicContact CD1-CD2 3.51Å; F327-Y441 AromaticContact CD1-CE2 3.95Å; F327-Y441 HydrophobicContact CD1-CE2 3.95Å; F327-Y441 HydrophobicContact CD1-CG 4.37Å; F327-Y441 HydrophobicContact CE1-CD2 4.33Å; F327-Y441 HydrophobicContact CG-CD2 4.19Å; F327-Y441 HydrophobicContact CG-CE2 4.41Å; P328-Y441 PolarHBondContact O-OH 3.33Å; I330-Y441 HydrophobicContact CB-CE1 4.44Å; I330-Y441 WeakPolarHBondContact CB-OH 3.22Å; I330-Y441 HydrophobicContact CG1-CE1 4.11Å; I330-Y441 VanDerWaalsContact CG1-OH 3.23Å; I330-Y441 WeakPolarHBondContact CG1-OH 3.32Å; I330-Y441 PolarHBondContact N-OH 2.94Å; L436-Y441 HydrophobicContact CD1-CE2 4.14Å; P438-Y441 PolarHBondContact O-N 2.88Å; D439-Y441 PolarHBondContact O-N 2.91Å; Y441-S484 WeakPolarHBondContact CD1-O 3.4Å; Y441-S484 WeakPolarHBondContact CE1-O 3.3Å; Y441-L488 HydrophobicContact CD1-CB 3.67Å; Y441-L488 HydrophobicContact CD1-CD2 3.72Å; Y441-L488 HydrophobicContact CD1-CG 4.26Å; Y441-L488 HydrophobicContact CD2-CD2 4.21Å; Y441-L488 HydrophobicContact CE1-CB 3.79Å; Y441-L488 HydrophobicContact CE1-CD2 4.32Å; Y441-L488 HydrophobicContact CE1-CG 4.49Å; Y441-L488 HydrophobicContact CG-CB 4.47Å; Y441-L488 HydrophobicContact CG-CD2 3.66Å |
| 442 | G | 91.1 | Very high | 94.2 | Very high | 15 Ų | 15 | 26.4 Ų | 26.4 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -88.4 | -171.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | P438 D439 | P438-G442 PolarHBondContact O-N 3.02Å; D439-G442 PolarHBondContact O-N 2.82Å |
| 443 | N | 89.6 | Confident | 94.1 | Very high | 137 Ų | 137 | 30.3 Ų | 30.3 | 73% | 0.733 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -102.6 | -4 | -176.5 | -64.4 | -33.5 | 0 | 0 | 0 | 114 | P445 | N443-P445 WeakPolarHBondContact O-CD 3.15Š|
| 444 | D | 91.3 | Very high | 94 | Very high | 23 Ų | 23 | 30.5 Ų | 30.5 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | trans | -102.9 | 109 | -175.1 | 175.8 | 33.5 | 0 | 0 | 0 | 112.4 | M1 S446 F447 | M1-D444 HydrophobicContact CE-CB 3.77Å; M1-D444 WeakPolarHBondContact CE-OD1 3.48Å; M1-D444 WeakPolarHBondContact CE-OD2 3.25Å; M1-D444 HydrophobicContact CG-CB 3.66Å; M1-D444 WeakPolarHBondContact CG-OD2 3.07Å; M1-D444 HydrophobicContact SD-CB 4.33Å; M1-D444 VanDerWaalsContact SD-CG 3.59Å; D444-S446 VanDerWaalsContact CG-OG 3.24Å; D444-S446 PolarHBondContact O-N 3.11Å; D444-S446 WeakPolarHBondContact OD1-CB 3.41Å; D444-S446 PolarHBondContact OD1-N 2.91Å; D444-S446 PolarHBondContact OD1-OG 3.06Å; D444-S446 PolarHBondContact OD2-OG 2.84Å; D444-F447 WeakPolarHBondContact O-CD1 3.49Å | ||
| 445 | P | 94.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 14% | 0.143 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -79.7 | 0.3 | 178.3 | 34.4 | -37.4 | 0 | 0 | 0 | 113.8 | N443 F447 L448 A477 L481 | N443-P445 WeakPolarHBondContact O-CD 3.15Å; P445-F447 PolarHBondContact O-N 2.98Å; P445-F447 VanDerWaalsContact O-N 3.09Å; P445-L448 WeakPolarHBondContact O-CB 3.44Å; P445-L448 PolarHBondContact O-N 3.05Å; P445-A477 HydrophobicContact CB-CB 3.58Å; P445-L481 HydrophobicContact CB-CD1 4.07Å |
| 446 | S | 93.5 | Very high | 93.4 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -58.8 | -28.7 | -169.2 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | V396 D444 L448 L449 | V396-S446 VanDerWaalsContact CG1-C 3.47Å; V396-S446 WeakPolarHBondContact CG1-O 3.31Å; V396-S446 WeakPolarHBondContact CG1-OG 3.46Å; D444-S446 VanDerWaalsContact CG-OG 3.24Å; D444-S446 PolarHBondContact O-N 3.11Å; D444-S446 WeakPolarHBondContact OD1-CB 3.41Å; D444-S446 PolarHBondContact OD1-N 2.91Å; D444-S446 PolarHBondContact OD1-OG 3.06Å; D444-S446 PolarHBondContact OD2-OG 2.84Å; S446-L448 PolarHBondContact O-N 3.09Å; S446-L449 PolarHBondContact O-N 2.98Å |
| 447 | F | 95.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -71.5 | -16 | 176.7 | 77.1 | -82.9 | 0 | 0 | 0 | 114 | L393 R395 V396 F416 D439 F440 D444 P445 L481 | L393-F447 HydrophobicContact CD2-CB 3.84Å; L393-F447 HydrophobicContact CD2-CG 4.28Å; R395-F447 WeakPolarHBondContact CD-O 3.22Å; V396-F447 HydrophobicContact CG1-CB 4.13Å; V396-F447 HydrophobicContact CG2-CB 4.06Å; F416-F447 HydrophobicContact CE1-CD2 4.46Å; F416-F447 HydrophobicContact CE1-CE2 4.44Å; D439-F447 HydrophobicContact CB-CD1 4.19Å; D439-F447 HydrophobicContact CB-CE1 3.97Å; D439-F447 HydrophobicContact CB-CZ 4.34Å; D439-F447 WeakPolarHBondContact O-CE1 3.35Å; F440-F447 HydrophobicContact CD1-CZ 4.42Å; F440-F447 HydrophobicContact CD2-CE2 4.13Å; F440-F447 HydrophobicContact CD2-CZ 4.17Å; F440-F447 HydrophobicContact CE1-CE2 4.27Å; F440-F447 AromaticContact CE2-CE2 3.78Å; F440-F447 HydrophobicContact CE2-CE2 3.78Å; F440-F447 HydrophobicContact CE2-CZ 4.28Å; F440-F447 HydrophobicContact CG-CZ 4.25Å; F440-F447 AromaticContact CZ-CE2 3.86Å; F440-F447 HydrophobicContact CZ-CE2 3.86Å; F440-F447 HydrophobicContact CZ-CZ 4.46Å; D444-F447 WeakPolarHBondContact O-CD1 3.49Å; P445-F447 PolarHBondContact O-N 2.98Å; P445-F447 VanDerWaalsContact O-N 3.09Å; F447-L481 HydrophobicContact CE1-CD1 4.48Å; F447-L481 HydrophobicContact CE1-CD2 4.18Å; F447-L481 HydrophobicContact CZ-CD2 4.2Å |
| 448 | L | 96.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -90.1 | -13.9 | 175.6 | -60.7 | 172.6 | 0 | 0 | 0 | 112.5 | F416 I419 P445 S446 V468 L470 A477 F480 L481 | F416-L448 HydrophobicContact CE1-CD2 3.89Å; F416-L448 HydrophobicContact CZ-CD2 4.06Å; I419-L448 HydrophobicContact CD1-CD2 4.4Å; P445-L448 WeakPolarHBondContact O-CB 3.44Å; P445-L448 PolarHBondContact O-N 3.05Å; S446-L448 PolarHBondContact O-N 3.09Å; L448-V468 HydrophobicContact CB-CB 4.4Å; L448-V468 HydrophobicContact CD2-CB 4.03Å; L448-V468 HydrophobicContact CD2-CG1 4.14Å; L448-V468 HydrophobicContact CD2-CG2 4.09Å; L448-V468 PolarHBondContact O-N 2.76Å; L448-L470 HydrophobicContact CD1-CD2 4.24Å; L448-A477 HydrophobicContact CB-CB 4.13Å; L448-A477 HydrophobicContact CD1-CB 3.97Å; L448-F480 HydrophobicContact CD1-CD1 3.83Å; L448-F480 HydrophobicContact CD1-CE1 4.36Å; L448-L481 HydrophobicContact CD1-CD2 4.47Å |
| 449 | L | 95.9 | Very high | 92.6 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 29% | 0.293 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -114.9 | 133.7 | -172.1 | -57.2 | 176.3 | 0 | 0 | 0 | 111.1 | S446 C451 D467 A477 | S446-L449 PolarHBondContact O-N 2.98Å; L449-C451 PolarHBondContact O-N 3.41Å; L449-D467 WeakPolarHBondContact CA-OD1 3.48Å; L449-D467 HydrophobicContact CD2-CB 4.44Å; L449-A477 HydrophobicContact CD2-CB 4.17Å; L449-A477 HydrophobicContact CG-CB 4.4Å |
| 450 | N | 94.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | trans | -82.6 | 56.6 | 176.8 | -169.6 | 17.9 | 0 | 0 | 0 | 111.7 | L452 S453 L454 Q466 D467 | N450-L452 PolarHBondContact O-N 3Å; N450-L452 VanDerWaalsContact O-N 3.14Å; N450-S453 PolarHBondContact O-N 2.95Å; N450-S453 PolarHBondContact OD1-N 3.17Å; N450-L454 PolarHBondContact ND2-N 3.19Å; N450-L454 PolarHBondContact ND2-O 3.38Å; N450-L454 WeakPolarHBondContact OD1-CB 3.34Å; N450-L454 PolarHBondContact OD1-N 3.33Å; N450-Q466 PolarHBondContact ND2-OE1 3.48Å; N450-D467 PolarHBondContact N-OD1 3.19Å | ||
| 451 | C | 91 | Very high | 91.4 | Very high | 97 Ų | 97 | 57.5 Ų | 57.5 | 66% | 0.655 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.8 | -177.7 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | L449 S453 | L449-C451 PolarHBondContact O-N 3.41Å; C451-S453 VanDerWaalsContact C-N 3.31Å |
| 452 | L | 87.8 | Confident | 90.8 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -0.5 | 178.5 | -65.1 | 178.3 | 0 | 0 | 0 | 113.4 | P398 N450 L454 | P398-L452 HydrophobicContact CG-CD1 3.9Å; N450-L452 PolarHBondContact O-N 3Å; N450-L452 VanDerWaalsContact O-N 3.14Å; L452-L454 HydrophobicContact CB-CD2 3.85Å; L452-L454 HydrophobicContact CB-CG 3.88Å; L452-L454 HydrophobicContact CD1-CD2 4.44Å; L452-L454 PolarHBondContact O-N 2.99Å |
| 453 | S | 90.7 | Very high | 90.7 | Very high | 104 Ų | 104 | 61.9 Ų | 61.9 | 73% | 0.727 | 37% | 0.371 | S | S | * | . | trans | 52.9 | 41.9 | -176.9 | -56.7 | 0 | 0 | 0 | 0 | 112.8 | N450 C451 | N450-S453 PolarHBondContact O-N 2.95Å; N450-S453 PolarHBondContact OD1-N 3.17Å; C451-S453 VanDerWaalsContact C-N 3.31Å | ||
| 454 | L | 91.2 | Very high | 90.7 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | trans | -65.4 | 140.7 | -179.9 | -56.8 | 172.9 | 0 | 0 | 0 | 110.6 | P398 N450 L452 L456 | P398-L454 HydrophobicContact CB-CD1 3.81Å; P398-L454 HydrophobicContact CB-CD2 4.06Å; P398-L454 HydrophobicContact CG-CD1 4.17Å; P398-L454 HydrophobicContact CG-CD2 4.14Å; N450-L454 PolarHBondContact ND2-N 3.19Å; N450-L454 PolarHBondContact ND2-O 3.38Å; N450-L454 WeakPolarHBondContact OD1-CB 3.34Å; N450-L454 PolarHBondContact OD1-N 3.33Å; L452-L454 HydrophobicContact CB-CD2 3.85Å; L452-L454 HydrophobicContact CB-CG 3.88Å; L452-L454 HydrophobicContact CD1-CD2 4.44Å; L452-L454 PolarHBondContact O-N 2.99Å; L454-L456 HydrophobicContact CB-CD2 3.85Å; L454-L456 HydrophobicContact CB-CG 3.98Å; L454-L456 HydrophobicContact CD1-CD2 4.2Å; L454-L456 PolarHBondContact O-N 2.96Å | ||
| 455 | D | 90.8 | Very high | 90.7 | Very high | 123 Ų | 123 | 57.4 Ų | 57.4 | 66% | 0.658 | 35% | 0.352 | S | S | * | . | trans | -83.6 | 92.6 | 167.4 | -174.9 | 6.8 | 0 | 0 | 0 | 109.8 | Y409 G457 | Y409-D455 VanDerWaalsContact CD2-O 3.32Å; Y409-D455 WeakPolarHBondContact CD2-O 3.37Å; D455-G457 VanDerWaalsContact C-N 3.28Å; D455-G457 PolarHBondContact OD1-N 3.46Å; D455-G457 VanDerWaalsContact OD1-N 3.11Å | ||
| 456 | L | 91.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | trans | -90.3 | 10.3 | 179.1 | -57.4 | 178.2 | 0 | 0 | 0 | 112.5 | V394 R395 Y409 M415 L454 V465 | V394-L456 HydrophobicContact CG2-CD2 4.21Å; R395-L456 HydrophobicContact CG-CD1 4.32Å; Y409-L456 HydrophobicContact CD2-CD2 4.2Å; Y409-L456 HydrophobicContact CE2-CD2 4.21Å; Y409-L456 HydrophobicContact CG-CD2 4.39Å; M415-L456 HydrophobicContact CE-CD2 4.04Å; L454-L456 HydrophobicContact CB-CD2 3.85Å; L454-L456 HydrophobicContact CB-CG 3.98Å; L454-L456 HydrophobicContact CD1-CD2 4.2Å; L454-L456 PolarHBondContact O-N 2.96Å; L456-V465 HydrophobicContact CB-CB 3.76Å; L456-V465 HydrophobicContact CB-CG1 3.77Å; L456-V465 HydrophobicContact CD1-CG1 3.9Å | ||
| 457 | G | 90.8 | Very high | 90.8 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 26% | 0.258 | 38% | 0.379 | S | S | . | . | trans | 82.8 | -173.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | D455 V465 | D455-G457 VanDerWaalsContact C-N 3.28Å; D455-G457 PolarHBondContact OD1-N 3.46Å; D455-G457 VanDerWaalsContact OD1-N 3.11Å; G457-V465 PolarHBondContact O-N 3.47Å | ||
| 458 | K | 91.8 | Very high | 90.9 | Very high | 146 Ų | 146 | 64 Ų | 64 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | B | Isolated β-bridge | trans | -123.1 | 134.9 | -179.1 | -65.2 | -175.4 | 179.9 | -178.3 | 0 | 110.5 | A412 S463 | A412-K458 VanDerWaalsContact CB-C 3.48Å; A412-K458 WeakPolarHBondContact CB-O 3.23Å; K458-S463 WeakPolarHBondContact CA-O 3.5Å |
| 459 | R | 90.8 | Very high | 91 | Very high | 69 Ų | 69 | 68.2 Ų | 68.2 | 26% | 0.26 | 41% | 0.407 | S | S | . | . | trans | -67.3 | 163.3 | 174.2 | -65.5 | -179.1 | 70 | 172.9 | 9.2 | 110.8 | D413 E421 G461 G462 S463 V465 | D413-R459 WeakPolarHBondContact OD1-CA 3.43Å; D413-R459 VanDerWaalsContact OD1-CB 3.27Å; D413-R459 WeakPolarHBondContact OD1-CB 3.41Å; D413-R459 IonicContact OD1-NE 3.78Å; E421-R459 IonicContact OE1-CZ 3.68Å; E421-R459 IonicContact OE1-NH1 2.97Å; E421-R459 PolarHBondContact OE1-NH1 3.17Å; E421-R459 IonicContact OE1-NH2 3.57Å; E421-R459 PolarHBondContact OE1-NH2 2.81Å; E421-R459 IonicContact OE2-CZ 3.24Å; E421-R459 IonicContact OE2-NH1 3.75Å; E421-R459 PolarHBondContact OE2-NH1 3.42Å; E421-R459 IonicContact OE2-NH2 3.67Å; E421-R459 PolarHBondContact OE2-NH2 2.95Å; R459-G461 PolarHBondContact O-N 3.39Å; R459-G461 VanDerWaalsContact O-N 3.1Å; R459-G462 PolarHBondContact O-N 2.76Å; R459-S463 PolarHBondContact N-O 3.02Å; R459-V465 HydrophobicContact CG-CG2 4.09Å | ||
| 460 | Q | 84.6 | Confident | 91.1 | Very high | 179 Ų | 179 | 67.5 Ų | 67.5 | 84% | 0.836 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28.5 | 175.5 | -81.6 | 166.4 | 49.1 | 0 | 0 | 113.8 | D413 G462 | D413-Q460 PolarHBondContact OD1-N 2.83Å; D413-Q460 VanDerWaalsContact OD1-N 3.16Å; D413-Q460 VanDerWaalsContact OD2-CG 3.25Å; D413-Q460 WeakPolarHBondContact OD2-CG 3.23Å; D413-Q460 PolarHBondContact OD2-N 2.97Å; D413-Q460 PolarHBondContact OD2-NE2 3.23Å; Q460-G462 PolarHBondContact O-N 3.37Å |
| 461 | G | 79.1 | Confident | 91.2 | Very high | 77 Ų | 77 | 67.3 Ų | 67.3 | 79% | 0.794 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 2.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R459 S463 | R459-G461 PolarHBondContact O-N 3.39Å; R459-G461 VanDerWaalsContact O-N 3.1Å; G461-S463 VanDerWaalsContact C-N 3.32Å; G461-S463 PolarHBondContact O-N 2.82Å |
| 462 | G | 85.1 | Confident | 91.5 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 53% | 0.526 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 84.7 | -6.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R459 Q460 | R459-G462 PolarHBondContact O-N 2.76Å; Q460-G462 PolarHBondContact O-N 3.37Å |
| 463 | S | 87.9 | Confident | 92 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 132.5 | 175.5 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | K458 R459 G461 | K458-S463 WeakPolarHBondContact CA-O 3.5Å; R459-S463 PolarHBondContact N-O 3.02Å; G461-S463 VanDerWaalsContact C-N 3.32Å; G461-S463 PolarHBondContact O-N 2.82Å |
| 464 | S | 90 | Very high | 92.3 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 43% | 0.434 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -74.7 | 142.1 | 173.4 | -75.1 | 0 | 0 | 0 | 0 | 111 | Q466 | S464-Q466 PolarHBondContact O-N 3.07Å |
| 465 | V | 92.2 | Very high | 92.5 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.03 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 119.5 | 173 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | A412 M415 L456 G457 R459 | A412-V465 HydrophobicContact CB-CG2 3.86Å; M415-V465 HydrophobicContact CB-CG1 4.38Å; L456-V465 HydrophobicContact CB-CB 3.76Å; L456-V465 HydrophobicContact CB-CG1 3.77Å; L456-V465 HydrophobicContact CD1-CG1 3.9Å; G457-V465 PolarHBondContact O-N 3.47Å; R459-V465 HydrophobicContact CG-CG2 4.09Å |
| 466 | Q | 93.5 | Very high | 92.8 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | trans | -132.7 | -130.4 | -176.5 | -68.5 | -61.1 | -32 | 0 | 0 | 110 | R395 N450 S464 | R395-Q466 VanDerWaalsContact CZ-O 3.22Å; R395-Q466 PolarHBondContact NE-O 2.92Å; R395-Q466 PolarHBondContact NH2-O 2.96Å; N450-Q466 PolarHBondContact ND2-OE1 3.48Å; S464-Q466 PolarHBondContact O-N 3.07Å | ||
| 467 | D | 96.6 | Very high | 93.1 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 46% | 0.455 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -57.5 | 150.5 | 170 | -64.2 | -10.3 | 0 | 0 | 0 | 110.8 | L449 N450 V469 | L449-D467 WeakPolarHBondContact CA-OD1 3.48Å; L449-D467 HydrophobicContact CD2-CB 4.44Å; N450-D467 PolarHBondContact N-OD1 3.19Å; D467-V469 PolarHBondContact O-N 3.22Å |
| 468 | V | 97.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.048 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 129.8 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | R395 F416 N417 I419 L448 L470 | R395-V468 VanDerWaalsContact CZ-CG2 3.49Å; F416-V468 HydrophobicContact CD1-CG2 3.77Å; F416-V468 HydrophobicContact CE1-CB 4.47Å; F416-V468 HydrophobicContact CE1-CG1 4.08Å; F416-V468 HydrophobicContact CE1-CG2 3.65Å; F416-V468 HydrophobicContact CE2-CG1 3.99Å; F416-V468 HydrophobicContact CG-CG2 4.4Å; F416-V468 HydrophobicContact CZ-CG1 3.71Å; F416-V468 HydrophobicContact CZ-CG2 4.17Å; N417-V468 WeakPolarHBondContact O-CA 3.44Å; I419-V468 HydrophobicContact CG1-CG1 3.81Å; L448-V468 HydrophobicContact CB-CB 4.4Å; L448-V468 HydrophobicContact CD2-CB 4.03Å; L448-V468 HydrophobicContact CD2-CG1 4.14Å; L448-V468 HydrophobicContact CD2-CG2 4.09Å; L448-V468 PolarHBondContact O-N 2.76Å; V468-L470 PolarHBondContact O-N 2.84Å |
| 469 | V | 97.3 | Very high | 93.7 | Very high | 90 Ų | 90 | 57 Ų | 57 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -70 | 116.8 | 175.1 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | N417 S418 I419 D467 | N417-V469 PolarHBondContact O-N 3.42Å; S418-V469 WeakPolarHBondContact CA-O 3.33Å; S418-V469 PolarHBondContact OG-O 3.18Å; I419-V469 PolarHBondContact N-O 2.95Å; I419-V469 VanDerWaalsContact N-O 3.12Å; D467-V469 PolarHBondContact O-N 3.22Å |
| 470 | L | 98.1 | Very high | 94 | Very high | 41 Ų | 41 | 53.8 Ų | 53.8 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -85 | 155.9 | -179.9 | -56.9 | 179.9 | 0 | 0 | 0 | 111.2 | I419 L448 V468 A474 D476 A477 F480 | I419-L470 HydrophobicContact CD1-CD2 3.69Å; I419-L470 HydrophobicContact CG1-CD2 4.44Å; L448-L470 HydrophobicContact CD1-CD2 4.24Å; V468-L470 PolarHBondContact O-N 2.84Å; L470-A474 HydrophobicContact CB-CB 4.27Å; L470-D476 WeakPolarHBondContact CD1-O 3.3Å; L470-A477 HydrophobicContact CD1-CB 4.22Å; L470-A477 VanDerWaalsContact CD1-N 3.31Å; L470-F480 HydrophobicContact CD1-CB 4.43Å; L470-F480 HydrophobicContact CD2-CB 4.35Å; L470-F480 HydrophobicContact CD2-CG 4.27Å |
| 471 | P | 97.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.032 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 153 | 172.9 | 26.6 | -34.9 | 0 | 0 | 0 | 111.7 | Y334 W473 A474 F480 | Y334-P471 HydrophobicContact CD1-CB 4.16Å; Y334-P471 HydrophobicContact CD1-CG 4.07Å; Y334-P471 WeakPolarHBondContact O-CB 3.41Å; P471-W473 HydrophobicContact CB-CD2 4.09Å; P471-W473 HydrophobicContact CB-CG 4.31Å; P471-W473 HydrophobicContact CB-CZ2 4.02Å; P471-W473 HydrophobicContact CG-CD2 3.81Å; P471-W473 HydrophobicContact CG-CE3 4.16Å; P471-W473 HydrophobicContact CG-CH2 3.76Å; P471-W473 HydrophobicContact CG-CZ2 3.35Å; P471-W473 HydrophobicContact CG-CZ3 4.13Å; P471-W473 PolarHBondContact O-N 3.49Å; P471-W473 VanDerWaalsContact O-N 3.09Å; P471-A474 HydrophobicContact CG-CB 4.25Å; P471-A474 PolarHBondContact O-N 2.8Å; P471-F480 HydrophobicContact CG-CD2 3.92Å; P471-F480 HydrophobicContact CG-CE2 4.1Å |
| 472 | P | 97.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 46.7 Ų | 46.7 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.5 | -173.6 | -25.3 | 35.8 | 0 | 0 | 0 | 114.8 | Y334 A474 | Y334-P472 WeakPolarHBondContact O-CD 3.47Å; P472-A474 VanDerWaalsContact C-N 3.27Å; P472-A474 PolarHBondContact O-N 2.9Å |
| 473 | W | 97.3 | Very high | 96.1 | Very high | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.038 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -9.1 | 176.9 | 54.2 | -111.6 | 0 | 0 | 0 | 114.4 | I331 D333 Y334 S336 T337 L339 P471 F480 K483 | I331-W473 HydrophobicContact CD1-CH2 3.97Å; I331-W473 HydrophobicContact CD1-CZ2 4.06Å; I331-W473 HydrophobicContact CG2-CZ2 4.35Å; D333-W473 PolarHBondContact O-NE1 2.86Å; Y334-W473 HydrophobicContact CD1-CZ2 4.16Å; Y334-W473 HydrophobicContact CE1-CZ2 4.25Å; S336-W473 PolarHBondContact O-N 2.58Å; T337-W473 VanDerWaalsContact O-CA 3.25Å; T337-W473 WeakPolarHBondContact O-CA 3.29Å; T337-W473 WeakPolarHBondContact O-CB 3.45Å; L339-W473 HydrophobicContact CB-CB 4.13Å; L339-W473 HydrophobicContact CB-CD2 3.97Å; L339-W473 HydrophobicContact CB-CE3 4.34Å; L339-W473 HydrophobicContact CB-CG 3.88Å; L339-W473 HydrophobicContact CD1-CD2 4.44Å; L339-W473 HydrophobicContact CD1-CZ2 4.3Å; L339-W473 HydrophobicContact CD2-CD2 4.17Å; L339-W473 HydrophobicContact CD2-CE3 4.08Å; L339-W473 HydrophobicContact CD2-CH2 4.04Å; L339-W473 HydrophobicContact CD2-CZ2 4.1Å; L339-W473 HydrophobicContact CD2-CZ3 4.03Å; L339-W473 HydrophobicContact CG-CD2 4.44Å; P471-W473 HydrophobicContact CB-CD2 4.09Å; P471-W473 HydrophobicContact CB-CG 4.31Å; P471-W473 HydrophobicContact CB-CZ2 4.02Å; P471-W473 HydrophobicContact CG-CD2 3.81Å; P471-W473 HydrophobicContact CG-CE3 4.16Å; P471-W473 HydrophobicContact CG-CH2 3.76Å; P471-W473 HydrophobicContact CG-CZ2 3.35Å; P471-W473 HydrophobicContact CG-CZ3 4.13Å; P471-W473 PolarHBondContact O-N 3.49Å; P471-W473 VanDerWaalsContact O-N 3.09Å; W473-F480 AromaticContact CH2-CD2 3.45Å; W473-F480 HydrophobicContact CH2-CD2 3.45Å; W473-F480 VanDerWaalsContact CH2-CD2 3.45Å; W473-F480 AromaticContact CH2-CE2 3.56Å; W473-F480 HydrophobicContact CH2-CE2 3.56Å; W473-F480 HydrophobicContact CZ2-CD2 4.33Å; W473-F480 HydrophobicContact CZ2-CE2 4.18Å; W473-F480 AromaticContact CZ3-CD2 3.78Å; W473-F480 HydrophobicContact CZ3-CD2 3.78Å; W473-F480 HydrophobicContact CZ3-CE2 4.35Å; W473-K483 HydrophobicContact CE3-CB 4.42Å; W473-K483 HydrophobicContact CE3-CD 3.61Å; W473-K483 HydrophobicContact CH2-CB 4.47Å; W473-K483 HydrophobicContact CZ3-CB 3.74Å; W473-K483 HydrophobicContact CZ3-CD 3.76Å; W473-K483 HydrophobicContact CZ3-CG 4.39Å; W473-K483 PolarHBondContact O-NZ 3.33Å |
| 474 | A | 97.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | trans | -100.8 | 125.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L470 P471 P472 F480 | L470-A474 HydrophobicContact CB-CB 4.27Å; P471-A474 HydrophobicContact CG-CB 4.25Å; P471-A474 PolarHBondContact O-N 2.8Å; P472-A474 VanDerWaalsContact C-N 3.27Å; P472-A474 PolarHBondContact O-N 2.9Å; A474-F480 HydrophobicContact CB-CB 3.81Å; A474-F480 HydrophobicContact CB-CD2 4.33Å | ||
| 475 | A | 96.2 | Very high | 96.9 | Very high | 89 Ų | 89 | 44.7 Ų | 44.7 | 74% | 0.736 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -72.1 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D479 | A475-D479 HydrophobicContact CB-CB 4.33Å; A475-D479 PolarHBondContact N-OD2 2.91Å |
| 476 | D | 97.1 | Very high | 97.2 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -152.9 | 179.8 | 177.8 | 62.6 | 44 | 0 | 0 | 0 | 110.8 | L470 S478 D479 F480 | L470-D476 WeakPolarHBondContact CD1-O 3.3Å; D476-S478 VanDerWaalsContact C-N 3.27Å; D476-S478 PolarHBondContact O-N 2.84Å; D476-S478 WeakPolarHBondContact OD1-CA 3.31Å; D476-S478 WeakPolarHBondContact OD1-CB 3.42Å; D476-S478 PolarHBondContact OD1-N 3.05Å; D476-D479 PolarHBondContact O-N 3.37Å; D476-D479 PolarHBondContact OD1-N 3.04Å; D476-F480 PolarHBondContact O-N 2.82Å |
| 477 | A | 97.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -29.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P445 L448 L449 L470 L481 | P445-A477 HydrophobicContact CB-CB 3.58Å; L448-A477 HydrophobicContact CB-CB 4.13Å; L448-A477 HydrophobicContact CD1-CB 3.97Å; L449-A477 HydrophobicContact CD2-CB 4.17Å; L449-A477 HydrophobicContact CG-CB 4.4Å; L470-A477 HydrophobicContact CD1-CB 4.22Å; L470-A477 VanDerWaalsContact CD1-N 3.31Å; A477-L481 WeakPolarHBondContact O-CG 3.4Å; A477-L481 PolarHBondContact O-N 2.86Å |
| 478 | S | 97.1 | Very high | 97.4 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 37% | 0.371 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74.5 | -43 | 176.4 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | D476 F480 L481 Q482 | D476-S478 VanDerWaalsContact C-N 3.27Å; D476-S478 PolarHBondContact O-N 2.84Å; D476-S478 WeakPolarHBondContact OD1-CA 3.31Å; D476-S478 WeakPolarHBondContact OD1-CB 3.42Å; D476-S478 PolarHBondContact OD1-N 3.05Å; S478-F480 VanDerWaalsContact C-N 3.32Å; S478-F480 PolarHBondContact O-N 3.48Å; S478-L481 PolarHBondContact O-N 3.32Å; S478-Q482 WeakPolarHBondContact O-CG 3.46Å; S478-Q482 PolarHBondContact O-N 3.47Å |
| 479 | D | 97.6 | Very high | 97.4 | Very high | 33 Ų | 33 | 44.9 Ų | 44.9 | 18% | 0.176 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 174 | 179.9 | 48.1 | 0 | 0 | 0 | 111.5 | A475 D476 L481 Q482 K483 | A475-D479 HydrophobicContact CB-CB 4.33Å; A475-D479 PolarHBondContact N-OD2 2.91Å; D476-D479 PolarHBondContact O-N 3.37Å; D476-D479 PolarHBondContact OD1-N 3.04Å; D479-L481 PolarHBondContact O-N 3.37Å; D479-Q482 PolarHBondContact O-N 3.24Å; D479-K483 WeakPolarHBondContact O-CB 3.5Å; D479-K483 WeakPolarHBondContact O-CG 3.38Å; D479-K483 PolarHBondContact O-N 3.2Å; D479-K483 WeakPolarHBondContact OD1-CE 3.33Å; D479-K483 IonicContact OD1-NZ 3.29Å; D479-K483 PolarHBondContact OD1-NZ 2.85Å; D479-K483 IonicContact OD2-NZ 3.41Å; D479-K483 PolarHBondContact OD2-NZ 2.87Å |
| 480 | F | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56 | -49.6 | 172.5 | 172.4 | -98.7 | 0 | 0 | 0 | 112.3 | Y334 I419 F440 L448 L470 P471 W473 A474 D476 S478 K483 S484 | Y334-F480 HydrophobicContact CE1-CE2 4.34Å; I419-F480 HydrophobicContact CD1-CD1 3.91Å; I419-F480 HydrophobicContact CD1-CD2 3.86Å; I419-F480 HydrophobicContact CD1-CE1 3.49Å; I419-F480 VanDerWaalsContact CD1-CE1 3.49Å; I419-F480 HydrophobicContact CD1-CE2 3.43Å; I419-F480 VanDerWaalsContact CD1-CE2 3.43Å; I419-F480 HydrophobicContact CD1-CG 4.1Å; I419-F480 HydrophobicContact CD1-CZ 3.25Å; I419-F480 HydrophobicContact CG2-CE2 4.25Å; I419-F480 HydrophobicContact CG2-CZ 4.17Å; F440-F480 AromaticContact CD1-CE1 3.93Å; F440-F480 HydrophobicContact CD1-CE1 3.93Å; F440-F480 HydrophobicContact CD1-CZ 4.14Å; F440-F480 HydrophobicContact CE1-CE1 4.35Å; F440-F480 HydrophobicContact CE1-CZ 4.49Å; L448-F480 HydrophobicContact CD1-CD1 3.83Å; L448-F480 HydrophobicContact CD1-CE1 4.36Å; L470-F480 HydrophobicContact CD1-CB 4.43Å; L470-F480 HydrophobicContact CD2-CB 4.35Å; L470-F480 HydrophobicContact CD2-CG 4.27Å; P471-F480 HydrophobicContact CG-CD2 3.92Å; P471-F480 HydrophobicContact CG-CE2 4.1Å; W473-F480 AromaticContact CH2-CD2 3.45Å; W473-F480 HydrophobicContact CH2-CD2 3.45Å; W473-F480 VanDerWaalsContact CH2-CD2 3.45Å; W473-F480 AromaticContact CH2-CE2 3.56Å; W473-F480 HydrophobicContact CH2-CE2 3.56Å; W473-F480 HydrophobicContact CZ2-CD2 4.33Å; W473-F480 HydrophobicContact CZ2-CE2 4.18Å; W473-F480 AromaticContact CZ3-CD2 3.78Å; W473-F480 HydrophobicContact CZ3-CD2 3.78Å; W473-F480 HydrophobicContact CZ3-CE2 4.35Å; A474-F480 HydrophobicContact CB-CB 3.81Å; A474-F480 HydrophobicContact CB-CD2 4.33Å; D476-F480 PolarHBondContact O-N 2.82Å; S478-F480 VanDerWaalsContact C-N 3.32Å; S478-F480 PolarHBondContact O-N 3.48Å; F480-K483 PolarHBondContact O-N 3.25Å; F480-S484 WeakPolarHBondContact CZ-OG 3.3Å; F480-S484 WeakPolarHBondContact O-CB 3.17Å; F480-S484 PolarHBondContact O-N 2.85Å; F480-S484 PolarHBondContact O-OG 2.97Å |
| 481 | L | 97.6 | Very high | 97 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 179.8 | -68.2 | -179.4 | 0 | 0 | 0 | 112 | F440 P445 F447 L448 A477 S478 D479 K483 S484 Q485 | F440-L481 WeakPolarHBondContact O-CD2 3.44Å; P445-L481 HydrophobicContact CB-CD1 4.07Å; F447-L481 HydrophobicContact CE1-CD1 4.48Å; F447-L481 HydrophobicContact CE1-CD2 4.18Å; F447-L481 HydrophobicContact CZ-CD2 4.2Å; L448-L481 HydrophobicContact CD1-CD2 4.47Å; A477-L481 WeakPolarHBondContact O-CG 3.4Å; A477-L481 PolarHBondContact O-N 2.86Å; S478-L481 PolarHBondContact O-N 3.32Å; D479-L481 PolarHBondContact O-N 3.37Å; L481-K483 PolarHBondContact O-N 3.26Å; L481-S484 PolarHBondContact O-N 3.1Å; L481-Q485 WeakPolarHBondContact O-CB 3.4Å; L481-Q485 PolarHBondContact O-N 3.31Å |
| 482 | Q | 97.4 | Very high | 96.8 | Very high | 103 Ų | 103 | 46.9 Ų | 46.9 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 176.3 | -73.2 | -179.7 | 16.8 | 0 | 0 | 112.1 | S478 D479 K486 | S478-Q482 WeakPolarHBondContact O-CG 3.46Å; S478-Q482 PolarHBondContact O-N 3.47Å; D479-Q482 PolarHBondContact O-N 3.24Å; Q482-K486 WeakPolarHBondContact O-CB 3.29Å; Q482-K486 VanDerWaalsContact O-CG 3.31Å; Q482-K486 WeakPolarHBondContact O-CG 3.42Å; Q482-K486 PolarHBondContact O-N 3.04Å |
| 483 | K | 97.7 | Very high | 96.8 | Very high | 56 Ų | 56 | 43 Ų | 43 | 24% | 0.243 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | 176 | -76.5 | 171.9 | 177.5 | 158.5 | 0 | 111.9 | L339 M341 W473 D479 F480 L481 K486 A487 | L339-K483 HydrophobicContact CD2-CB 4.12Å; M341-K483 WeakPolarHBondContact CE-O 3.43Å; W473-K483 HydrophobicContact CE3-CB 4.42Å; W473-K483 HydrophobicContact CE3-CD 3.61Å; W473-K483 HydrophobicContact CH2-CB 4.47Å; W473-K483 HydrophobicContact CZ3-CB 3.74Å; W473-K483 HydrophobicContact CZ3-CD 3.76Å; W473-K483 HydrophobicContact CZ3-CG 4.39Å; W473-K483 PolarHBondContact O-NZ 3.33Å; D479-K483 WeakPolarHBondContact O-CB 3.5Å; D479-K483 WeakPolarHBondContact O-CG 3.38Å; D479-K483 PolarHBondContact O-N 3.2Å; D479-K483 WeakPolarHBondContact OD1-CE 3.33Å; D479-K483 IonicContact OD1-NZ 3.29Å; D479-K483 PolarHBondContact OD1-NZ 2.85Å; D479-K483 IonicContact OD2-NZ 3.41Å; D479-K483 PolarHBondContact OD2-NZ 2.87Å; F480-K483 PolarHBondContact O-N 3.25Å; L481-K483 PolarHBondContact O-N 3.26Å; K483-K486 PolarHBondContact O-N 2.7Å; K483-A487 WeakPolarHBondContact O-CB 3.26Å; K483-A487 PolarHBondContact O-N 2.74Å |
| 484 | S | 97.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -43.6 | 175.4 | -59 | 0 | 0 | 0 | 0 | 111.9 | F440 Y441 F480 L481 A487 L488 | F440-S484 WeakPolarHBondContact O-CB 3.37Å; Y441-S484 WeakPolarHBondContact CD1-O 3.4Å; Y441-S484 WeakPolarHBondContact CE1-O 3.3Å; F480-S484 WeakPolarHBondContact CZ-OG 3.3Å; F480-S484 WeakPolarHBondContact O-CB 3.17Å; F480-S484 PolarHBondContact O-N 2.85Å; F480-S484 PolarHBondContact O-OG 2.97Å; L481-S484 PolarHBondContact O-N 3.1Å; S484-A487 WeakPolarHBondContact O-CB 3.44Å; S484-A487 PolarHBondContact O-N 2.98Å; S484-L488 PolarHBondContact O-N 2.83Å |
| 485 | Q | 97.1 | Very high | 96.5 | Very high | 69 Ų | 69 | 44.1 Ų | 44.1 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 174.2 | -172.8 | -178.1 | 50.7 | 0 | 0 | 111.6 | L481 A487 L488 E489 | L481-Q485 WeakPolarHBondContact O-CB 3.4Å; L481-Q485 PolarHBondContact O-N 3.31Å; Q485-A487 VanDerWaalsContact C-N 3.3Å; Q485-A487 PolarHBondContact O-N 3.42Å; Q485-L488 PolarHBondContact O-N 2.94Å; Q485-E489 PolarHBondContact O-N 2.81Å |
| 486 | K | 97.2 | Very high | 96.5 | Very high | 134 Ų | 134 | 42.2 Ų | 42.2 | 58% | 0.583 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -61.4 | -37.5 | 174.6 | -75.1 | 174.9 | -177.6 | 175.5 | 0 | 112.5 | M341 Q482 K483 S490 | M341-K486 HydrophobicContact CE-CB 4.38Å; Q482-K486 WeakPolarHBondContact O-CB 3.29Å; Q482-K486 VanDerWaalsContact O-CG 3.31Å; Q482-K486 WeakPolarHBondContact O-CG 3.42Å; Q482-K486 PolarHBondContact O-N 3.04Å; K483-K486 PolarHBondContact O-N 2.7Å; K486-S490 PolarHBondContact O-N 3.46Å; K486-S490 VanDerWaalsContact O-N 3.07Å |
| 487 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.1 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I330 I331 M341 F347 K483 S484 Q485 E489 S490 V493 | I330-A487 HydrophobicContact CG2-CB 3.77Å; I331-A487 HydrophobicContact CD1-CB 3.86Å; I331-A487 HydrophobicContact CG1-CB 3.72Å; M341-A487 HydrophobicContact CE-CB 3.85Å; M341-A487 HydrophobicContact SD-CB 4Å; F347-A487 HydrophobicContact CE1-CB 4.3Å; K483-A487 WeakPolarHBondContact O-CB 3.26Å; K483-A487 PolarHBondContact O-N 2.74Å; S484-A487 WeakPolarHBondContact O-CB 3.44Å; S484-A487 PolarHBondContact O-N 2.98Å; Q485-A487 VanDerWaalsContact C-N 3.3Å; Q485-A487 PolarHBondContact O-N 3.42Å; A487-E489 VanDerWaalsContact C-N 3.33Å; A487-E489 PolarHBondContact O-N 2.88Å; A487-S490 WeakPolarHBondContact O-CB 3.5Å; A487-S490 PolarHBondContact O-N 2.8Å; A487-S490 VanDerWaalsContact O-N 3.14Å; A487-S490 PolarHBondContact O-OG 3Å; A487-V493 WeakPolarHBondContact O-CG2 3.45Å |
| 488 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -41.2 | 176.8 | 176.9 | 64.3 | 0 | 0 | 0 | 112.1 | N303 Y304 L307 F327 I330 Y441 S484 Q485 S490 V493 | N303-L488 HydrophobicContact CB-CD1 4.21Å; N303-L488 HydrophobicContact CB-CG 4.14Å; N303-L488 PolarHBondContact ND2-O 2.84Å; Y304-L488 HydrophobicContact CD2-CD2 4.09Å; L307-L488 HydrophobicContact CD1-CD1 4.03Å; F327-L488 HydrophobicContact CD1-CD2 4.37Å; F327-L488 HydrophobicContact CE1-CD2 4.21Å; I330-L488 HydrophobicContact CD1-CD1 4.05Å; I330-L488 HydrophobicContact CG1-CB 4.4Å; I330-L488 HydrophobicContact CG1-CD1 3.93Å; Y441-L488 HydrophobicContact CD1-CB 3.67Å; Y441-L488 HydrophobicContact CD1-CD2 3.72Å; Y441-L488 HydrophobicContact CD1-CG 4.26Å; Y441-L488 HydrophobicContact CD2-CD2 4.21Å; Y441-L488 HydrophobicContact CE1-CB 3.79Å; Y441-L488 HydrophobicContact CE1-CD2 4.32Å; Y441-L488 HydrophobicContact CE1-CG 4.49Å; Y441-L488 HydrophobicContact CG-CB 4.47Å; Y441-L488 HydrophobicContact CG-CD2 3.66Å; S484-L488 PolarHBondContact O-N 2.83Å; Q485-L488 PolarHBondContact O-N 2.94Å; L488-S490 VanDerWaalsContact C-N 3.26Å; L488-S490 PolarHBondContact O-N 2.79Å; L488-V493 HydrophobicContact CD1-CG1 4.22Å; L488-V493 WeakPolarHBondContact O-CB 3.05Å; L488-V493 VanDerWaalsContact O-CG1 3.22Å; L488-V493 WeakPolarHBondContact O-CG1 3.38Å |
| 489 | E | 96.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 38.7 Ų | 38.7 | 28% | 0.28 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6.7 | 178.7 | -60.2 | -55.6 | 148.8 | 0 | 0 | 113.6 | S302 N303 Y304 Q485 A487 | S302-E489 WeakPolarHBondContact CB-OE1 3.22Å; S302-E489 WeakPolarHBondContact CB-OE2 3.49Å; N303-E489 PolarHBondContact N-OE1 3.22Å; N303-E489 VanDerWaalsContact N-OE1 3.13Å; N303-E489 PolarHBondContact N-OE2 3.16Å; Y304-E489 WeakPolarHBondContact CB-OE1 3.41Å; Y304-E489 PolarHBondContact N-OE1 3.25Å; Q485-E489 PolarHBondContact O-N 2.81Å; A487-E489 VanDerWaalsContact C-N 3.33Å; A487-E489 PolarHBondContact O-N 2.88Å |
| 490 | S | 95.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 37.2 Ų | 37.2 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -66 | 160.3 | 179.5 | 71.3 | 0 | 0 | 0 | 0 | 112 | F347 K486 A487 L488 Y492 V493 S494 | F347-S490 WeakPolarHBondContact CE1-OG 3.28Å; K486-S490 PolarHBondContact O-N 3.46Å; K486-S490 VanDerWaalsContact O-N 3.07Å; A487-S490 WeakPolarHBondContact O-CB 3.5Å; A487-S490 PolarHBondContact O-N 2.8Å; A487-S490 VanDerWaalsContact O-N 3.14Å; A487-S490 PolarHBondContact O-OG 3Å; L488-S490 VanDerWaalsContact C-N 3.26Å; L488-S490 PolarHBondContact O-N 2.79Å; S490-Y492 VanDerWaalsContact C-N 3.34Å; S490-V493 PolarHBondContact O-N 3.39Å; S490-V493 WeakPolarHBondContact OG-CG2 3.21Å; S490-V493 PolarHBondContact OG-N 3.27Å; S490-S494 WeakPolarHBondContact O-CB 3.36Å; S490-S494 PolarHBondContact O-N 3.44Å; S490-S494 PolarHBondContact O-OG 3.29Å |
| 491 | Q | 91.2 | Very high | 96.6 | Very high | 99 Ų | 99 | 37.1 Ų | 37.1 | 46% | 0.463 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62 | -43.1 | 175.5 | -176.4 | 175.2 | -7.8 | 0 | 0 | 111.5 | V493 S494 E495 | Q491-V493 VanDerWaalsContact C-N 3.35Å; Q491-V493 PolarHBondContact O-N 3.06Å; Q491-S494 WeakPolarHBondContact O-CB 3.41Å; Q491-S494 PolarHBondContact O-N 3.5Å; Q491-E495 HydrophobicContact CG-CG 4.47Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.44Å; Q491-E495 PolarHBondContact NE2-OE1 3.24Å; Q491-E495 WeakPolarHBondContact O-CG 3.27Å; Q491-E495 PolarHBondContact O-N 2.77Å |
| 492 | Y | 94.1 | Very high | 96.6 | Very high | 61 Ų | 61 | 37.2 Ų | 37.2 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -49.9 | 177.8 | -177.2 | -87.8 | 0 | 0 | 0 | 111.3 | P344 F347 S490 S494 E495 H496 | P344-Y492 HydrophobicContact CB-CE2 3.94Å; F347-Y492 HydrophobicContact CB-CD1 3.5Å; F347-Y492 HydrophobicContact CB-CE1 3.27Å; F347-Y492 HydrophobicContact CB-CG 4.42Å; F347-Y492 AromaticContact CD1-CD1 3.84Å; F347-Y492 HydrophobicContact CD1-CD1 3.84Å; F347-Y492 HydrophobicContact CD1-CE1 4.48Å; F347-Y492 AromaticContact CD2-CD1 3.68Å; F347-Y492 HydrophobicContact CD2-CD1 3.68Å; F347-Y492 HydrophobicContact CD2-CD2 4.36Å; F347-Y492 HydrophobicContact CD2-CE1 4.16Å; F347-Y492 AromaticContact CD2-CG 3.79Å; F347-Y492 HydrophobicContact CD2-CG 3.79Å; F347-Y492 HydrophobicContact CE1-CD1 4.49Å; F347-Y492 HydrophobicContact CE2-CD1 4.35Å; F347-Y492 HydrophobicContact CE2-CG 4.15Å; F347-Y492 AromaticContact CG-CD1 3.38Å; F347-Y492 HydrophobicContact CG-CD1 3.38Å; F347-Y492 AromaticContact CG-CE1 3.75Å; F347-Y492 HydrophobicContact CG-CE1 3.75Å; F347-Y492 AromaticContact CG-CG 4Å; F347-Y492 HydrophobicContact CG-CG 4Å; S490-Y492 VanDerWaalsContact C-N 3.34Å; Y492-S494 PolarHBondContact O-N 3.15Å; Y492-E495 PolarHBondContact O-N 2.8Å; Y492-H496 AromaticContact CE2-CD2 3.9Å; Y492-H496 AromaticContact CZ-CD2 3.88Å; Y492-H496 PolarHBondContact O-CD2 2.78Å; Y492-H496 VanDerWaalsContact O-CD2 3.23Å; Y492-H496 PolarHBondContact O-N 3.01Å |
| 493 | V | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.1 | -41.9 | 178.9 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | I330 F347 L350 A487 L488 S490 Q491 E495 H496 L497 | I330-V493 HydrophobicContact CD1-CG1 3.71Å; I330-V493 HydrophobicContact CD1-CG2 3.91Å; I330-V493 HydrophobicContact CG1-CG2 4.47Å; I330-V493 HydrophobicContact CG2-CG2 3.51Å; F347-V493 HydrophobicContact CD1-CG2 3.92Å; F347-V493 HydrophobicContact CE1-CG2 4.07Å; L350-V493 HydrophobicContact CD1-CG1 4.15Å; A487-V493 WeakPolarHBondContact O-CG2 3.45Å; L488-V493 HydrophobicContact CD1-CG1 4.22Å; L488-V493 WeakPolarHBondContact O-CB 3.05Å; L488-V493 VanDerWaalsContact O-CG1 3.22Å; L488-V493 WeakPolarHBondContact O-CG1 3.38Å; S490-V493 PolarHBondContact O-N 3.39Å; S490-V493 WeakPolarHBondContact OG-CG2 3.21Å; S490-V493 PolarHBondContact OG-N 3.27Å; Q491-V493 VanDerWaalsContact C-N 3.35Å; Q491-V493 PolarHBondContact O-N 3.06Å; V493-E495 PolarHBondContact O-N 3.09Å; V493-H496 PolarHBondContact O-N 3.15Å; V493-L497 HydrophobicContact CG1-CB 4.2Å; V493-L497 HydrophobicContact CG1-CD1 4.32Å; V493-L497 WeakPolarHBondContact O-CA 3.39Å; V493-L497 WeakPolarHBondContact O-CB 3.49Å; V493-L497 PolarHBondContact O-N 3.35Å |
| 494 | S | 94.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.5 | -35.5 | 177.1 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | N303 S490 Q491 Y492 R566 | N303-S494 PolarHBondContact ND2-OG 3.02Å; S490-S494 WeakPolarHBondContact O-CB 3.36Å; S490-S494 PolarHBondContact O-N 3.44Å; S490-S494 PolarHBondContact O-OG 3.29Å; Q491-S494 WeakPolarHBondContact O-CB 3.41Å; Q491-S494 PolarHBondContact O-N 3.5Å; Y492-S494 PolarHBondContact O-N 3.15Å; S494-R566 VanDerWaalsContact O-CB 3.23Å; S494-R566 WeakPolarHBondContact O-CB 3.38Å; S494-R566 PolarHBondContact OG-NH1 3.49Å |
| 495 | E | 93.1 | Very high | 96.7 | Very high | 43 Ų | 43 | 29.7 Ų | 29.7 | 20% | 0.201 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -75.2 | -27.2 | 177.4 | -71.8 | 175.1 | -171.3 | 0 | 0 | 112.8 | Q491 Y492 V493 H498 Q565 T568 | Q491-E495 HydrophobicContact CG-CG 4.47Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.44Å; Q491-E495 PolarHBondContact NE2-OE1 3.24Å; Q491-E495 WeakPolarHBondContact O-CG 3.27Å; Q491-E495 PolarHBondContact O-N 2.77Å; Y492-E495 PolarHBondContact O-N 2.8Å; V493-E495 PolarHBondContact O-N 3.09Å; E495-H498 PolarHBondContact O-CE1 3.39Å; E495-H498 PolarHBondContact O-ND1 3.33Å; E495-H498 VanDerWaalsContact O-ND1 3.07Å; E495-Q565 WeakPolarHBondContact O-CG 3.45Å; E495-Q565 PolarHBondContact O-NE2 2.66Å; E495-T568 HydrophobicContact CG-CG2 3.92Å; E495-T568 PolarHBondContact OE1-OG1 2.99Å; E495-T568 VanDerWaalsContact OE1-OG1 3.11Å |
| 496 | H | 96.1 | Very high | 96.6 | Very high | 50 Ų | 50 | 26.4 Ų | 26.4 | 23% | 0.231 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -114.2 | -8.6 | -173.2 | -68.3 | -71.6 | 0 | 0 | 0 | 115.5 | L350 Y492 V493 H498 E499 | L350-H496 HydrophobicContact CB-CB 4.35Å; L350-H496 HydrophobicContact CD1-CB 4.09Å; Y492-H496 AromaticContact CE2-CD2 3.9Å; Y492-H496 AromaticContact CZ-CD2 3.88Å; Y492-H496 PolarHBondContact O-CD2 2.78Å; Y492-H496 VanDerWaalsContact O-CD2 3.23Å; Y492-H496 PolarHBondContact O-N 3.01Å; V493-H496 PolarHBondContact O-N 3.15Å; H496-H498 VanDerWaalsContact C-N 3.26Å; H496-H498 PolarHBondContact O-N 2.61Å; H496-E499 IonicContact CE1-OE1 2.71Å; H496-E499 IonicContact ND1-OE1 3.28Å; H496-E499 PolarHBondContact ND1-OE1 3.29Å; H496-E499 VanDerWaalsContact ND1-OE1 3.08Å; H496-E499 IonicContact ND1-OE2 2.62Å; H496-E499 WeakPolarHBondContact O-CB 3.41Å; H496-E499 WeakPolarHBondContact O-CG 3.41Å; H496-E499 PolarHBondContact O-N 3.12Å |
| 497 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -32 | -173.7 | -174.4 | 62.1 | 0 | 0 | 0 | 113.5 | W296 N303 L307 P328 V493 E499 W500 I501 | W296-L497 HydrophobicContact CZ2-CB 4.22Å; W296-L497 HydrophobicContact CZ2-CD2 4.12Å; N303-L497 HydrophobicContact CB-CD2 3.75Å; L307-L497 HydrophobicContact CD1-CD1 4.3Å; L307-L497 HydrophobicContact CD1-CD2 4.27Å; L307-L497 HydrophobicContact CD2-CD1 4.31Å; L307-L497 HydrophobicContact CD2-CD2 4.38Å; L307-L497 HydrophobicContact CG-CD2 4.19Å; P328-L497 HydrophobicContact CG-CD1 4.14Å; V493-L497 HydrophobicContact CG1-CB 4.2Å; V493-L497 HydrophobicContact CG1-CD1 4.32Å; V493-L497 WeakPolarHBondContact O-CA 3.39Å; V493-L497 WeakPolarHBondContact O-CB 3.49Å; V493-L497 PolarHBondContact O-N 3.35Å; L497-E499 PolarHBondContact O-N 3.1Å; L497-W500 PolarHBondContact O-N 3.29Å; L497-W500 VanDerWaalsContact O-N 3.11Å; L497-I501 HydrophobicContact CG-CD1 4.1Å; L497-I501 HydrophobicContact CG-CG1 4.46Å; L497-I501 WeakPolarHBondContact O-CG1 3.18Å; L497-I501 PolarHBondContact O-N 2.77Å |
| 498 | H | 96.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 23.9 Ų | 23.9 | 13% | 0.134 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56 | -33.2 | 175.3 | 69.9 | -74.9 | 0 | 0 | 0 | 112.7 | W296 E495 H496 I501 D502 H563 P564 | W296-H498 HydrophobicContact CH2-CB 4.25Å; E495-H498 PolarHBondContact O-CE1 3.39Å; E495-H498 PolarHBondContact O-ND1 3.33Å; E495-H498 VanDerWaalsContact O-ND1 3.07Å; H496-H498 VanDerWaalsContact C-N 3.26Å; H496-H498 PolarHBondContact O-N 2.61Å; H498-I501 PolarHBondContact O-N 3.49Å; H498-D502 PolarHBondContact O-N 3.41Å; H498-H563 HydrophobicContact CB-CB 4.14Å; H498-H563 PolarHBondContact CD2-O 3.46Å; H498-P564 VanDerWaalsContact CB-O 3.3Å; H498-P564 WeakPolarHBondContact CB-O 3.27Å |
| 499 | E | 98 | Very high | 96.4 | Very high | 42 Ų | 42 | 24.3 Ų | 24.3 | 20% | 0.196 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.3 | -35.3 | 179 | -52.4 | 168.9 | 170 | 0 | 0 | 112.1 | S351 H496 L497 D502 | S351-E499 WeakPolarHBondContact CB-OE2 3.29Å; S351-E499 PolarHBondContact N-OE2 2.97Å; H496-E499 IonicContact CE1-OE1 2.71Å; H496-E499 IonicContact ND1-OE1 3.28Å; H496-E499 PolarHBondContact ND1-OE1 3.29Å; H496-E499 VanDerWaalsContact ND1-OE1 3.08Å; H496-E499 IonicContact ND1-OE2 2.62Å; H496-E499 WeakPolarHBondContact O-CB 3.41Å; H496-E499 WeakPolarHBondContact O-CG 3.41Å; H496-E499 PolarHBondContact O-N 3.12Å; L497-E499 PolarHBondContact O-N 3.1Å; E499-D502 WeakPolarHBondContact O-CB 3.36Å |
| 500 | W | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74.1 | -37.1 | 174.1 | -177.5 | 86.2 | 0 | 0 | 0 | 111.2 | L307 V326 P328 L350 E435 L497 D502 L503 V504 F505 | L307-W500 HydrophobicContact CD2-CE3 4.11Å; L307-W500 HydrophobicContact CD2-CZ3 3.66Å; V326-W500 HydrophobicContact CG1-CH2 4.26Å; V326-W500 HydrophobicContact CG1-CZ2 4.13Å; P328-W500 HydrophobicContact CB-CD2 3.8Å; P328-W500 HydrophobicContact CB-CE3 4.45Å; P328-W500 HydrophobicContact CB-CG 4.01Å; P328-W500 HydrophobicContact CB-CZ2 3.97Å; P328-W500 HydrophobicContact CG-CD2 4.09Å; P328-W500 HydrophobicContact CG-CE3 4.26Å; P328-W500 HydrophobicContact CG-CZ2 4.38Å; L350-W500 HydrophobicContact CB-CB 4.1Å; L350-W500 HydrophobicContact CD2-CB 4.12Å; L350-W500 HydrophobicContact CD2-CG 4.34Å; L350-W500 VanDerWaalsContact O-CA 3.29Å; L350-W500 WeakPolarHBondContact O-CA 3.23Å; L350-W500 WeakPolarHBondContact O-CB 3.48Å; L350-W500 PolarHBondContact O-N 3.21Å; E435-W500 PolarHBondContact OE1-NE1 2.82Å; L497-W500 PolarHBondContact O-N 3.29Å; L497-W500 VanDerWaalsContact O-N 3.11Å; W500-D502 PolarHBondContact O-N 3.43Å; W500-L503 WeakPolarHBondContact O-CB 3.48Å; W500-L503 PolarHBondContact O-N 3.14Å; W500-L503 VanDerWaalsContact O-N 3.07Å; W500-V504 HydrophobicContact CD2-CG2 3.97Å; W500-V504 HydrophobicContact CE3-CG2 4.28Å; W500-V504 HydrophobicContact CH2-CB 4.21Å; W500-V504 HydrophobicContact CH2-CG1 4.19Å; W500-V504 HydrophobicContact CH2-CG2 3.85Å; W500-V504 HydrophobicContact CZ2-CB 4.37Å; W500-V504 HydrophobicContact CZ2-CG2 3.52Å; W500-V504 HydrophobicContact CZ3-CB 4.3Å; W500-V504 HydrophobicContact CZ3-CG2 4.21Å; W500-V504 PolarHBondContact O-N 2.86Å; W500-V504 VanDerWaalsContact O-N 3.14Å; W500-F505 HydrophobicContact CH2-CE2 4.37Å; W500-F505 AromaticContact CZ3-CE2 3.92Å; W500-F505 HydrophobicContact CZ3-CE2 3.92Å |
| 501 | I | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.4 | -39.1 | 173.8 | -66.2 | 165.2 | 0 | 0 | 0 | 110.1 | Y306 L307 L310 L497 H498 L503 V504 F505 G506 F559 H563 | Y306-I501 HydrophobicContact CD1-CD1 4.1Å; Y306-I501 HydrophobicContact CE1-CD1 3.68Å; L307-I501 HydrophobicContact CD2-CG1 4.33Å; L310-I501 HydrophobicContact CD1-CD1 3.82Å; L310-I501 HydrophobicContact CD1-CG1 3.96Å; L310-I501 HydrophobicContact CD1-CG2 3.79Å; L497-I501 HydrophobicContact CG-CD1 4.1Å; L497-I501 HydrophobicContact CG-CG1 4.46Å; L497-I501 WeakPolarHBondContact O-CG1 3.18Å; L497-I501 PolarHBondContact O-N 2.77Å; H498-I501 PolarHBondContact O-N 3.49Å; I501-L503 VanDerWaalsContact C-N 3.26Å; I501-L503 PolarHBondContact O-N 3.4Å; I501-V504 PolarHBondContact O-N 3.3Å; I501-F505 HydrophobicContact CG2-CB 4.26Å; I501-F505 HydrophobicContact CG2-CD2 4.25Å; I501-F505 CarbonylContact O-C 3.48Å; I501-F505 PolarHBondContact O-N 3.22Å; I501-G506 PolarHBondContact O-N 2.95Å; I501-F559 HydrophobicContact CG2-CD2 4.32Å; I501-F559 HydrophobicContact CG2-CE2 4.21Å; I501-H563 HydrophobicContact CG2-CB 4.39Å; I501-H563 WeakPolarHBondContact CG2-CD2 3.28Å |
| 502 | D | 98 | Very high | 96.3 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.7 | -36.7 | 174.4 | -76.7 | -32.8 | 0 | 0 | 0 | 113.5 | H498 E499 W500 G506 F507 K508 Q509 H563 | H498-D502 PolarHBondContact O-N 3.41Å; E499-D502 WeakPolarHBondContact O-CB 3.36Å; W500-D502 PolarHBondContact O-N 3.43Å; D502-G506 CarbonylContact O-C 3.59Å; D502-G506 WeakPolarHBondContact O-CA 3.24Å; D502-G506 PolarHBondContact O-N 3.14Å; D502-F507 HydrophobicContact CB-CD1 4.1Å; D502-F507 HydrophobicContact CB-CE1 4.02Å; D502-F507 VanDerWaalsContact CG-CE1 3.46Å; D502-F507 WeakPolarHBondContact OD1-CD1 3.47Å; D502-F507 WeakPolarHBondContact OD2-CE1 3.38Å; D502-K508 HydrophobicContact CB-CB 4.4Å; D502-K508 HydrophobicContact CB-CD 3.92Å; D502-K508 HydrophobicContact CB-CG 4.12Å; D502-K508 CarbonylContact O-C 3.16Å; D502-K508 WeakPolarHBondContact O-CA 3.23Å; D502-K508 WeakPolarHBondContact O-CB 3.25Å; D502-K508 PolarHBondContact O-N 3.41Å; D502-Q509 PolarHBondContact O-N 3.43Å; D502-H563 VanDerWaalsContact OD1-CB 3.25Å; D502-H563 WeakPolarHBondContact OD1-CB 3.49Å; D502-H563 PolarHBondContact OD1-N 2.86Å |
| 503 | L | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72.2 | -40.8 | 178.7 | -62.9 | 171.5 | 0 | 0 | 0 | 112.1 | K352 W500 I501 K508 A517 N519 | K352-L503 VanDerWaalsContact C-CD1 3.46Å; W500-L503 WeakPolarHBondContact O-CB 3.48Å; W500-L503 PolarHBondContact O-N 3.14Å; W500-L503 VanDerWaalsContact O-N 3.07Å; I501-L503 VanDerWaalsContact C-N 3.26Å; I501-L503 PolarHBondContact O-N 3.4Å; L503-K508 HydrophobicContact CD2-CB 4.08Å; L503-K508 HydrophobicContact CD2-CD 4.14Å; L503-A517 HydrophobicContact CD2-CB 3.88Å; L503-N519 HydrophobicContact CD2-CB 4.08Å; L503-N519 PolarHBondContact O-ND2 2.97Å |
| 504 | V | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -95.1 | -41.6 | -169.2 | -179.3 | 0 | 0 | 0 | 0 | 112.8 | Y383 W500 I501 Q509 P555 | Y383-V504 HydrophobicContact CE2-CG1 4.44Å; W500-V504 HydrophobicContact CD2-CG2 3.97Å; W500-V504 HydrophobicContact CE3-CG2 4.28Å; W500-V504 HydrophobicContact CH2-CB 4.21Å; W500-V504 HydrophobicContact CH2-CG1 4.19Å; W500-V504 HydrophobicContact CH2-CG2 3.85Å; W500-V504 HydrophobicContact CZ2-CB 4.37Å; W500-V504 HydrophobicContact CZ2-CG2 3.52Å; W500-V504 HydrophobicContact CZ3-CB 4.3Å; W500-V504 HydrophobicContact CZ3-CG2 4.21Å; W500-V504 PolarHBondContact O-N 2.86Å; W500-V504 VanDerWaalsContact O-N 3.14Å; I501-V504 PolarHBondContact O-N 3.3Å; V504-Q509 PolarHBondContact O-NE2 3.37Å; V504-P555 HydrophobicContact CG1-CG 3.78Å |
| 505 | F | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -15.3 | -175.6 | -53.3 | -72.6 | 0 | 0 | 0 | 113.4 | L310 A314 W500 I501 P555 Q557 L558 F559 | L310-F505 HydrophobicContact CB-CD2 4.2Å; L310-F505 HydrophobicContact CB-CE2 4.13Å; L310-F505 HydrophobicContact CB-CZ 4.4Å; L310-F505 HydrophobicContact CD1-CD2 4.15Å; A314-F505 HydrophobicContact CB-CD1 3.5Å; A314-F505 HydrophobicContact CB-CE1 3.53Å; W500-F505 HydrophobicContact CH2-CE2 4.37Å; W500-F505 AromaticContact CZ3-CE2 3.92Å; W500-F505 HydrophobicContact CZ3-CE2 3.92Å; I501-F505 HydrophobicContact CG2-CB 4.26Å; I501-F505 HydrophobicContact CG2-CD2 4.25Å; I501-F505 CarbonylContact O-C 3.48Å; I501-F505 PolarHBondContact O-N 3.22Å; F505-P555 HydrophobicContact CD1-CB 3.83Å; F505-P555 HydrophobicContact CD1-CG 4.11Å; F505-P555 HydrophobicContact CE1-CB 3.65Å; F505-P555 HydrophobicContact CE1-CG 3.8Å; F505-Q557 CarbonylContact O-C 3.55Å; F505-L558 HydrophobicContact CB-CB 4.44Å; F505-L558 HydrophobicContact CB-CD1 4.31Å; F505-L558 HydrophobicContact CB-CG 4.36Å; F505-L558 HydrophobicContact CD1-CD1 4.36Å; F505-L558 HydrophobicContact CG-CD1 4.49Å; F505-L558 PolarHBondContact O-N 3.11Å; F505-F559 PolarHBondContact O-N 2.81Å; F505-F559 VanDerWaalsContact O-N 3.16Å |
| 506 | G | 95.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -105.2 | -155.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | I501 D502 K508 Q509 Q557 F559 | I501-G506 PolarHBondContact O-N 2.95Å; D502-G506 CarbonylContact O-C 3.59Å; D502-G506 WeakPolarHBondContact O-CA 3.24Å; D502-G506 PolarHBondContact O-N 3.14Å; G506-K508 VanDerWaalsContact C-N 3.28Å; G506-K508 PolarHBondContact O-N 2.79Å; G506-Q509 VanDerWaalsContact O-CB 3.3Å; G506-Q509 WeakPolarHBondContact O-CB 3.43Å; G506-Q509 PolarHBondContact O-N 2.79Å; G506-Q557 PolarHBondContact O-NE2 3.2Å; G506-F559 CarbonylContact C-O 3.54Å; G506-F559 VanDerWaalsContact CA-O 3.26Å; G506-F559 WeakPolarHBondContact CA-O 3.48Å |
| 507 | F | 94.9 | Very high | 96.7 | Very high | 36 Ų | 36 | 31.5 Ų | 31.5 | 16% | 0.158 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -70.7 | -18.9 | -166.1 | 82.5 | -76.8 | 0 | 0 | 0 | 114.4 | D502 Q509 E513 F559 T560 P562 | D502-F507 HydrophobicContact CB-CD1 4.1Å; D502-F507 HydrophobicContact CB-CE1 4.02Å; D502-F507 VanDerWaalsContact CG-CE1 3.46Å; D502-F507 WeakPolarHBondContact OD1-CD1 3.47Å; D502-F507 WeakPolarHBondContact OD2-CE1 3.38Å; F507-Q509 VanDerWaalsContact C-N 3.31Å; F507-Q509 PolarHBondContact O-N 3.21Å; F507-E513 HydrophobicContact CD2-CB 3.98Å; F507-E513 HydrophobicContact CD2-CG 3.74Å; F507-E513 HydrophobicContact CE2-CB 4.05Å; F507-E513 HydrophobicContact CE2-CG 3.8Å; F507-F559 PolarHBondContact N-O 2.91Å; F507-T560 VanDerWaalsContact CB-C 3.49Å; F507-T560 VanDerWaalsContact CB-O 3.24Å; F507-T560 WeakPolarHBondContact CB-O 3.46Å; F507-P562 VanDerWaalsContact CD1-CA 3.48Å; F507-P562 HydrophobicContact CD1-CB 4.25Å; F507-P562 HydrophobicContact CD1-CG 4.17Å; F507-P562 VanDerWaalsContact CE1-CA 3.48Å; F507-P562 HydrophobicContact CE1-CB 3.77Å; F507-P562 HydrophobicContact CE1-CG 3.74Å; F507-P562 HydrophobicContact CE2-CG 4.47Å; F507-P562 HydrophobicContact CZ-CB 4.34Å; F507-P562 HydrophobicContact CZ-CG 3.9Å |
| 508 | K | 97.8 | Very high | 96.7 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 19% | 0.191 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -87.8 | 8.2 | 177 | -58.3 | 175.3 | -176.6 | 166.9 | 0 | 113.4 | D502 L503 G506 E513 A514 A517 N519 | D502-K508 HydrophobicContact CB-CB 4.4Å; D502-K508 HydrophobicContact CB-CD 3.92Å; D502-K508 HydrophobicContact CB-CG 4.12Å; D502-K508 CarbonylContact O-C 3.16Å; D502-K508 WeakPolarHBondContact O-CA 3.23Å; D502-K508 WeakPolarHBondContact O-CB 3.25Å; D502-K508 PolarHBondContact O-N 3.41Å; L503-K508 HydrophobicContact CD2-CB 4.08Å; L503-K508 HydrophobicContact CD2-CD 4.14Å; G506-K508 VanDerWaalsContact C-N 3.28Å; G506-K508 PolarHBondContact O-N 2.79Å; K508-E513 HydrophobicContact CG-CB 4.37Å; K508-A514 WeakPolarHBondContact O-CA 3.27Å; K508-A514 VanDerWaalsContact O-CB 3.31Å; K508-A514 WeakPolarHBondContact O-CB 3.49Å; K508-A517 HydrophobicContact CB-CB 4.23Å; K508-A517 HydrophobicContact CD-CB 4.05Å; K508-A517 HydrophobicContact CG-CB 4.41Å; K508-N519 PolarHBondContact O-ND2 2.93Å |
| 509 | Q | 96.9 | Very high | 96.7 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -74 | -33.4 | 178.1 | -165.6 | -161 | 72.7 | 0 | 0 | 112.7 | D502 V504 G506 F507 Y526 T554 P555 | D502-Q509 PolarHBondContact O-N 3.43Å; V504-Q509 PolarHBondContact O-NE2 3.37Å; G506-Q509 VanDerWaalsContact O-CB 3.3Å; G506-Q509 WeakPolarHBondContact O-CB 3.43Å; G506-Q509 PolarHBondContact O-N 2.79Å; F507-Q509 VanDerWaalsContact C-N 3.31Å; F507-Q509 PolarHBondContact O-N 3.21Å; Q509-Y526 WeakPolarHBondContact O-CE1 3.36Å; Q509-Y526 PolarHBondContact O-OH 3.37Å; Q509-T554 HydrophobicContact CG-CG2 3.86Å; Q509-P555 PolarHBondContact NE2-O 3.22Å |
| 510 | K | 93.3 | Very high | 96.7 | Very high | 115 Ų | 115 | 32 Ų | 32 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -144.1 | 172.4 | -177.2 | 72.4 | -165 | -165.3 | -155.7 | 0 | 112.5 | ||
| 511 | G | 92.4 | Very high | 96.5 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 56% | 0.557 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | 74.6 | -158.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E513 A514 V515 | G511-E513 VanDerWaalsContact C-N 3.27Å; G511-E513 PolarHBondContact O-N 3.17Å; G511-A514 PolarHBondContact O-N 3.15Å; G511-V515 PolarHBondContact O-N 2.85Å |
| 512 | S | 94.4 | Very high | 96.2 | Very high | 88 Ų | 88 | 34.5 Ų | 34.5 | 62% | 0.615 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -61.7 | -35.9 | -179 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | A514 V515 A516 | S512-A514 PolarHBondContact O-N 3.49Å; S512-V515 WeakPolarHBondContact O-CB 3.46Å; S512-V515 PolarHBondContact O-N 3.32Å; S512-V515 VanDerWaalsContact O-N 3.13Å; S512-A516 PolarHBondContact O-N 3.25Å |
| 513 | E | 96.8 | Very high | 95.8 | Very high | 84 Ų | 84 | 35.6 Ų | 35.6 | 39% | 0.393 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.1 | -37.1 | -179.3 | -59.5 | -53.9 | 121.4 | 0 | 0 | 111.7 | F507 K508 G511 V515 A516 A517 | F507-E513 HydrophobicContact CD2-CB 3.98Å; F507-E513 HydrophobicContact CD2-CG 3.74Å; F507-E513 HydrophobicContact CE2-CB 4.05Å; F507-E513 HydrophobicContact CE2-CG 3.8Å; K508-E513 HydrophobicContact CG-CB 4.37Å; G511-E513 VanDerWaalsContact C-N 3.27Å; G511-E513 PolarHBondContact O-N 3.17Å; E513-V515 VanDerWaalsContact C-N 3.34Å; E513-V515 PolarHBondContact O-N 2.89Å; E513-A516 PolarHBondContact O-N 3.49Å; E513-A517 VanDerWaalsContact O-CB 3.28Å; E513-A517 WeakPolarHBondContact O-CB 3.43Å; E513-A517 PolarHBondContact O-N 3.31Å |
| 514 | A | 96.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K508 G511 S512 H518 N519 V520 | K508-A514 WeakPolarHBondContact O-CA 3.27Å; K508-A514 VanDerWaalsContact O-CB 3.31Å; K508-A514 WeakPolarHBondContact O-CB 3.49Å; G511-A514 PolarHBondContact O-N 3.15Å; S512-A514 PolarHBondContact O-N 3.49Å; A514-H518 PolarHBondContact O-N 2.86Å; A514-N519 PolarHBondContact O-N 3.39Å; A514-V520 HydrophobicContact CB-CG2 4.09Å |
| 515 | V | 96.5 | Very high | 95.1 | Very high | 56 Ų | 56 | 36.7 Ų | 36.7 | 34% | 0.339 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | M378 G511 S512 E513 A517 H518 V520 | M378-V515 HydrophobicContact CE-CG1 4.35Å; G511-V515 PolarHBondContact O-N 2.85Å; S512-V515 WeakPolarHBondContact O-CB 3.46Å; S512-V515 PolarHBondContact O-N 3.32Å; S512-V515 VanDerWaalsContact O-N 3.13Å; E513-V515 VanDerWaalsContact C-N 3.34Å; E513-V515 PolarHBondContact O-N 2.89Å; V515-A517 VanDerWaalsContact C-N 3.34Å; V515-A517 PolarHBondContact O-N 3.46Å; V515-H518 PolarHBondContact O-N 3.01Å; V515-H518 VanDerWaalsContact O-N 3.11Å; V515-H518 PolarHBondContact O-ND1 3.29Å; V515-V520 HydrophobicContact CB-CG2 4.47Å; V515-V520 HydrophobicContact CG2-CG2 3.86Å |
| 516 | A | 96.7 | Very high | 94.7 | Very high | 68 Ų | 68 | 38.4 Ų | 38.4 | 56% | 0.562 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -61.8 | -40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S512 E513 H518 | S512-A516 PolarHBondContact O-N 3.25Å; E513-A516 PolarHBondContact O-N 3.49Å; A516-H518 VanDerWaalsContact C-N 3.27Å; A516-H518 PolarHBondContact O-N 2.94Å |
| 517 | A | 97 | Very high | 94.2 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 0.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P353 L503 K508 E513 V515 N519 | P353-A517 WeakPolarHBondContact CD-O 3.4Å; L503-A517 HydrophobicContact CD2-CB 3.88Å; K508-A517 HydrophobicContact CB-CB 4.23Å; K508-A517 HydrophobicContact CD-CB 4.05Å; K508-A517 HydrophobicContact CG-CB 4.41Å; E513-A517 VanDerWaalsContact O-CB 3.28Å; E513-A517 WeakPolarHBondContact O-CB 3.43Å; E513-A517 PolarHBondContact O-N 3.31Å; V515-A517 VanDerWaalsContact C-N 3.34Å; V515-A517 PolarHBondContact O-N 3.46Å; A517-N519 HydrophobicContact CB-CB 4.36Å; A517-N519 PolarHBondContact O-N 2.8Å |
| 518 | H | 97.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 44.6 | -176.6 | -47.3 | -33.2 | 0 | 0 | 0 | 113.5 | P353 A356 L362 M378 Y379 A514 V515 A516 | P353-H518 WeakPolarHBondContact CG-O 3.07Å; A356-H518 HydrophobicContact CB-CB 4.35Å; L362-H518 HydrophobicContact CD1-CB 3.99Å; M378-H518 HydrophobicContact CE-CB 4.45Å; M378-H518 WeakPolarHBondContact SD-CA 3.36Å; M378-H518 HydrophobicContact SD-CB 3.76Å; Y379-H518 WeakPolarHBondContact CE2-O 3.35Å; Y379-H518 PolarHBondContact OH-O 2.8Å; A514-H518 PolarHBondContact O-N 2.86Å; V515-H518 PolarHBondContact O-N 3.01Å; V515-H518 VanDerWaalsContact O-N 3.11Å; V515-H518 PolarHBondContact O-ND1 3.29Å; A516-H518 VanDerWaalsContact C-N 3.27Å; A516-H518 PolarHBondContact O-N 2.94Å |
| 519 | N | 97.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | trans | -121.4 | 37 | -168.8 | -165.4 | 45.5 | 0 | 0 | 0 | 113 | P353 L503 K508 A514 A517 F521 | P353-N519 HydrophobicContact CG-CB 4.27Å; L503-N519 HydrophobicContact CD2-CB 4.08Å; L503-N519 PolarHBondContact O-ND2 2.97Å; K508-N519 PolarHBondContact O-ND2 2.93Å; A514-N519 PolarHBondContact O-N 3.39Å; A517-N519 HydrophobicContact CB-CB 4.36Å; A517-N519 PolarHBondContact O-N 2.8Å; N519-F521 WeakPolarHBondContact OD1-CE2 3.33Å | ||
| 520 | V | 96.3 | Very high | 90.6 | Very high | 18 Ų | 18 | 47.8 Ų | 47.8 | 11% | 0.109 | 30% | 0.299 | C | S | . | . | trans | -102.5 | 113.8 | -174.5 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | F377 M378 Y379 A514 V515 | F377-V520 HydrophobicContact CB-CG1 4.48Å; M378-V520 WeakPolarHBondContact CA-O 3.46Å; M378-V520 WeakPolarHBondContact CB-O 3.47Å; M378-V520 HydrophobicContact CE-CG2 4.47Å; M378-V520 HydrophobicContact CG-CB 4.3Å; M378-V520 PolarHBondContact N-O 2.97Å; Y379-V520 WeakPolarHBondContact CD2-O 3.47Å; Y379-V520 PolarHBondContact N-O 3.19Å; Y379-V520 VanDerWaalsContact N-O 3.07Å; A514-V520 HydrophobicContact CB-CG2 4.09Å; V515-V520 HydrophobicContact CB-CG2 4.47Å; V515-V520 HydrophobicContact CG2-CG2 3.86Å | ||
| 521 | F | 95.1 | Very high | 89.5 | Confident | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -94 | 173.9 | 178.4 | -66.3 | -88.5 | 0 | 0 | 0 | 112.2 | F377 Y379 H382 Y383 N519 Y526 | F377-F521 VanDerWaalsContact CB-O 3.24Å; F377-F521 WeakPolarHBondContact CB-O 3.32Å; Y379-F521 AromaticContact CD2-CD1 3.89Å; Y379-F521 HydrophobicContact CD2-CD1 3.89Å; Y379-F521 HydrophobicContact CD2-CD2 4.3Å; Y379-F521 AromaticContact CD2-CE1 3.54Å; Y379-F521 HydrophobicContact CD2-CE1 3.54Å; Y379-F521 AromaticContact CD2-CE2 3.98Å; Y379-F521 HydrophobicContact CD2-CE2 3.98Å; Y379-F521 HydrophobicContact CD2-CG 4.23Å; Y379-F521 AromaticContact CD2-CZ 3.54Å; Y379-F521 HydrophobicContact CD2-CZ 3.54Å; Y379-F521 HydrophobicContact CE2-CE1 4.44Å; Y379-F521 HydrophobicContact CE2-CE2 4.42Å; Y379-F521 HydrophobicContact CE2-CZ 4.06Å; Y379-F521 HydrophobicContact CG-CD1 4.09Å; Y379-F521 AromaticContact CG-CE1 3.77Å; Y379-F521 HydrophobicContact CG-CE1 3.77Å; Y379-F521 HydrophobicContact CG-CZ 4.21Å; Y379-F521 CarbonylContact O-C 3.54Å; H382-F521 AromaticContact CD2-CD1 3.95Å; Y383-F521 HydrophobicContact CD1-CD1 4.36Å; Y383-F521 AromaticContact CD1-CE1 3.59Å; Y383-F521 HydrophobicContact CD1-CE1 3.59Å; Y383-F521 AromaticContact CD1-CE2 3.81Å; Y383-F521 HydrophobicContact CD1-CE2 3.81Å; Y383-F521 AromaticContact CD1-CZ 3.3Å; Y383-F521 HydrophobicContact CD1-CZ 3.3Å; Y383-F521 HydrophobicContact CE1-CD2 4.16Å; Y383-F521 HydrophobicContact CE1-CE1 4.13Å; Y383-F521 AromaticContact CE1-CE2 3.61Å; Y383-F521 HydrophobicContact CE1-CE2 3.61Å; Y383-F521 AromaticContact CE1-CZ 3.64Å; Y383-F521 HydrophobicContact CE1-CZ 3.64Å; N519-F521 WeakPolarHBondContact OD1-CE2 3.33Å; F521-Y526 HydrophobicContact CB-CE2 4Å; F521-Y526 PolarHBondContact N-OH 3.17Å; F521-Y526 WeakPolarHBondContact O-CE2 3.42Å |
| 522 | H | 92.6 | Very high | 88.2 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | trans | -58 | 136.9 | 177.1 | -169.8 | -84.2 | 0 | 0 | 0 | 111.1 | F377 Y379 L524 T525 | F377-H522 AromaticContact CD1-CD2 3.84Å; F377-H522 AromaticContact CE1-CD2 3.5Å; F377-H522 VanDerWaalsContact CE1-CD2 3.5Å; F377-H522 WeakPolarHBondContact CE1-CD2 3.26Å; F377-H522 HydrophobicContact CG-CB 4.5Å; F377-H522 AromaticContact CZ-CD2 3.65Å; Y379-H522 PolarHBondContact O-N 2.97Å; H522-L524 VanDerWaalsContact C-N 3.27Å; H522-L524 PolarHBondContact ND1-N 2.79Å; H522-L524 PolarHBondContact O-N 2.85Å; H522-L524 VanDerWaalsContact O-N 3.14Å; H522-T525 HydrophobicContact CB-CG2 4.19Å; H522-T525 WeakPolarHBondContact O-CB 3.47Å; H522-T525 WeakPolarHBondContact O-CG2 3.47Å; H522-T525 PolarHBondContact O-N 3.28Å; H522-T525 PolarHBondContact O-OG1 3.42Å | ||
| 523 | P | 90 | Very high | 86.9 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -54.8 | -37.2 | -173.7 | -29 | 35.3 | 0 | 0 | 0 | 114.9 | P375 T525 Y526 | P375-P523 HydrophobicContact CB-CG 3.78Å; P375-P523 HydrophobicContact CG-CB 4.45Å; P375-P523 HydrophobicContact CG-CG 3.74Å; P523-T525 PolarHBondContact O-N 3.32Å; P523-T525 VanDerWaalsContact O-N 3.08Å; P523-Y526 PolarHBondContact O-N 3.22Å; P523-Y526 VanDerWaalsContact O-N 3.1Å |
| 524 | L | 89.4 | Confident | 85.9 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -62.1 | -13.1 | 177 | -68.1 | 176.2 | 0 | 0 | 0 | 114.7 | L241 H522 I530 M544 Q547 | L241-L524 WeakPolarHBondContact CD1-O 3.4Å; H522-L524 VanDerWaalsContact C-N 3.27Å; H522-L524 PolarHBondContact ND1-N 2.79Å; H522-L524 PolarHBondContact O-N 2.85Å; H522-L524 VanDerWaalsContact O-N 3.14Å; L524-I530 HydrophobicContact CD2-CB 4.46Å; L524-I530 HydrophobicContact CD2-CD1 3.33Å; L524-I530 HydrophobicContact CD2-CG1 3.85Å; L524-I530 HydrophobicContact CG-CD1 4.32Å; L524-M544 HydrophobicContact CD2-CE 3.74Å; L524-Q547 HydrophobicContact CD1-CB 4.21Å; L524-Q547 HydrophobicContact CD1-CG 3.8Å |
| 525 | T | 91.4 | Very high | 85 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -82.1 | -19.5 | 177.3 | 66.7 | 0 | 0 | 0 | 0 | 112.3 | H382 H522 P523 T554 | H382-T525 HydrophobicContact CB-CG2 4.36Å; H522-T525 HydrophobicContact CB-CG2 4.19Å; H522-T525 WeakPolarHBondContact O-CB 3.47Å; H522-T525 WeakPolarHBondContact O-CG2 3.47Å; H522-T525 PolarHBondContact O-N 3.28Å; H522-T525 PolarHBondContact O-OG1 3.42Å; P523-T525 PolarHBondContact O-N 3.32Å; P523-T525 VanDerWaalsContact O-N 3.08Å; T525-T554 WeakPolarHBondContact O-CB 3.46Å; T525-T554 PolarHBondContact O-N 3.26Å; T525-T554 PolarHBondContact O-OG1 3.25Å; T525-T554 PolarHBondContact OG1-OG1 3.36Å |
| 526 | Y | 90.6 | Very high | 84.2 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -93.7 | 143.9 | -176.5 | -62.4 | -84.8 | 0 | 0 | 0 | 111.6 | Q509 F521 P523 G529 T554 | Q509-Y526 WeakPolarHBondContact O-CE1 3.36Å; Q509-Y526 PolarHBondContact O-OH 3.37Å; F521-Y526 HydrophobicContact CB-CE2 4Å; F521-Y526 PolarHBondContact N-OH 3.17Å; F521-Y526 WeakPolarHBondContact O-CE2 3.42Å; P523-Y526 PolarHBondContact O-N 3.22Å; P523-Y526 VanDerWaalsContact O-N 3.1Å; Y526-G529 PolarHBondContact O-N 3.4Å; Y526-G529 VanDerWaalsContact O-N 3.11Å; Y526-T554 HydrophobicContact CD1-CG2 3.87Å; Y526-T554 HydrophobicContact CE1-CG2 3.86Å |
| 527 | E | 84.3 | Confident | 83.6 | Confident | 99 Ų | 99 | 54 Ų | 54 | 46% | 0.463 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 137.7 | 170 | -179.3 | 174 | -171.8 | 0 | 0 | 111.3 | R238 G529 | R238-E527 IonicContact CZ-OE2 3.83Å; R238-E527 IonicContact NE-OE2 2.66Å; R238-E527 IonicContact NH1-OE2 3.33Å; R238-E527 PolarHBondContact NH1-OE2 3.02Å; E527-G529 PolarHBondContact O-N 3.08Å; E527-G529 VanDerWaalsContact O-N 3.15Å |
| 528 | G | 76.1 | Confident | 82.7 | Confident | 72 Ų | 72 | 56 Ų | 56 | 74% | 0.742 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.8 | 7.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I530 | G528-I530 VanDerWaalsContact C-N 3.26Å; G528-I530 PolarHBondContact O-N 2.9Å |
| 529 | G | 68.1 | Low | 82.1 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -61.2 | -33.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y526 E527 | Y526-G529 PolarHBondContact O-N 3.4Å; Y526-G529 VanDerWaalsContact O-N 3.11Å; E527-G529 PolarHBondContact O-N 3.08Å; E527-G529 VanDerWaalsContact O-N 3.15Å |
| 530 | I | 70.6 | Confident | 81.4 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -145.3 | 137.8 | 169 | -54.5 | -172.1 | 0 | 0 | 0 | 110 | L524 G528 C532 I535 M544 | L524-I530 HydrophobicContact CD2-CB 4.46Å; L524-I530 HydrophobicContact CD2-CD1 3.33Å; L524-I530 HydrophobicContact CD2-CG1 3.85Å; L524-I530 HydrophobicContact CG-CD1 4.32Å; G528-I530 VanDerWaalsContact C-N 3.26Å; G528-I530 PolarHBondContact O-N 2.9Å; I530-C532 PolarHBondContact O-N 2.77Å; I530-I535 HydrophobicContact CG2-CD1 4.34Å; I530-M544 HydrophobicContact CB-CE 3.74Å; I530-M544 HydrophobicContact CD1-CE 3.7Å; I530-M544 HydrophobicContact CD1-SD 4.2Å; I530-M544 HydrophobicContact CG1-CE 4.22Å; I530-M544 HydrophobicContact CG2-CE 3.62Å |
| 531 | D | 69 | Low | 80.7 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 54% | 0.535 | 35% | 0.349 | S | S | . | . | trans | -77.6 | 99.5 | 172.1 | -179.4 | 5.8 | 0 | 0 | 0 | 110.3 | D533 S534 | D531-D533 PolarHBondContact O-N 3.14Å; D531-D533 VanDerWaalsContact O-N 3.15Å; D531-D533 PolarHBondContact OD1-N 3.32Å; D531-S534 WeakPolarHBondContact O-CB 3.37Å; D531-S534 PolarHBondContact O-N 2.94Å; D531-S534 VanDerWaalsContact O-N 3.12Å; D531-S534 PolarHBondContact O-OG 3.14Å | ||
| 532 | C | 64.6 | Low | 79.9 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 12% | 0.122 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -17.7 | 179.8 | -66.7 | 0 | 0 | 0 | 0 | 114.3 | I530 K541 | I530-C532 PolarHBondContact O-N 2.77Å; C532-K541 WeakPolarHBondContact O-CE 3.45Å; C532-K541 PolarHBondContact O-NZ 3.01Å |
| 533 | D | 68.8 | Low | 79.5 | Confident | 119 Ų | 119 | 63.5 Ų | 63.5 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -16.2 | 179.7 | -65.6 | -30.5 | 0 | 0 | 0 | 111.9 | D531 I535 K541 | D531-D533 PolarHBondContact O-N 3.14Å; D531-D533 VanDerWaalsContact O-N 3.15Å; D531-D533 PolarHBondContact OD1-N 3.32Å; D533-I535 VanDerWaalsContact C-N 3.31Å; D533-K541 IonicContact OD1-NZ 3.23Å; D533-K541 PolarHBondContact OD1-NZ 3.37Å |
| 534 | S | 73.9 | Confident | 79.2 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 53% | 0.531 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -76.2 | -14.7 | 170.9 | 73.6 | 0 | 0 | 0 | 0 | 114.1 | D531 E536 | D531-S534 WeakPolarHBondContact O-CB 3.37Å; D531-S534 PolarHBondContact O-N 2.94Å; D531-S534 VanDerWaalsContact O-N 3.12Å; D531-S534 PolarHBondContact O-OG 3.14Å; S534-E536 PolarHBondContact O-N 3.19Å |
| 535 | I | 79.8 | Confident | 78.7 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 11% | 0.113 | 37% | 0.366 | C | S | . | . | trans | -85 | 112.2 | -177 | -56.2 | 170.4 | 0 | 0 | 0 | 110.2 | I530 D533 E540 K541 M544 | I530-I535 HydrophobicContact CG2-CD1 4.34Å; D533-I535 VanDerWaalsContact C-N 3.31Å; I535-E540 HydrophobicContact CG2-CB 3.98Å; I535-E540 HydrophobicContact CG2-CG 4.09Å; I535-K541 HydrophobicContact CG2-CB 4.09Å; I535-M544 HydrophobicContact CD1-CE 3.47Å; I535-M544 VanDerWaalsContact CD1-CE 3.47Å; I535-M544 HydrophobicContact CD1-SD 3.29Å; I535-M544 WeakPolarHBondContact CD1-SD 3.34Å | ||
| 536 | E | 78.3 | Confident | 78.3 | Confident | 191 Ų | 191 | 65.8 Ų | 65.8 | 89% | 0.893 | 38% | 0.375 | S | S | * | . | trans | -80 | -32.7 | 179.6 | -64.1 | -173.1 | 174.7 | 0 | 0 | 113.3 | S534 P538 | S534-E536 PolarHBondContact O-N 3.19Å; E536-P538 VanDerWaalsContact O-CD 3.26Å; E536-P538 WeakPolarHBondContact O-CD 3.45Å | ||
| 537 | D | 84.4 | Confident | 78.1 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | trans | -77.7 | 117.2 | 179.8 | -177.4 | 5.8 | 0 | 0 | 0 | 111.3 | N539 E540 K541 | D537-N539 PolarHBondContact O-N 3.19Å; D537-N539 PolarHBondContact OD1-N 3.36Å; D537-N539 PolarHBondContact OD1-ND2 3.44Å; D537-E540 HydrophobicContact CB-CB 4.06Å; D537-E540 PolarHBondContact O-N 3.46Å; D537-K541 PolarHBondContact O-N 3.33Å | ||
| 538 | P | 79.1 | Confident | 78.1 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 42% | 0.416 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.5 | -31.2 | 177.6 | -24.2 | 35.4 | 0 | 0 | 0 | 113.8 | E536 I542 | E536-P538 VanDerWaalsContact O-CD 3.26Å; E536-P538 WeakPolarHBondContact O-CD 3.45Å; P538-I542 WeakPolarHBondContact O-CD1 3.31Å; P538-I542 VanDerWaalsContact O-CG1 3.22Å; P538-I542 WeakPolarHBondContact O-CG1 3.41Å; P538-I542 PolarHBondContact O-N 3.44Å; P538-I542 VanDerWaalsContact O-N 3.08Å |
| 539 | N | 83.3 | Confident | 78.5 | Confident | 45 Ų | 45 | 61.4 Ų | 61.4 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.6 | -42.4 | -179.2 | -59.6 | -74 | 0 | 0 | 0 | 111.5 | G154 D537 I542 A543 | G154-N539 WeakPolarHBondContact CA-OD1 3.43Å; G154-N539 PolarHBondContact N-OD1 3.43Å; D537-N539 PolarHBondContact O-N 3.19Å; D537-N539 PolarHBondContact OD1-N 3.36Å; D537-N539 PolarHBondContact OD1-ND2 3.44Å; N539-I542 PolarHBondContact O-N 2.95Å; N539-A543 WeakPolarHBondContact O-CB 3.1Å; N539-A543 PolarHBondContact O-N 3.46Å |
| 540 | E | 83.4 | Confident | 79.3 | Confident | 109 Ų | 109 | 63.7 Ų | 63.7 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 175.6 | -172.5 | 172.3 | -164.6 | 0 | 0 | 110.7 | I535 D537 I542 A543 M544 | I535-E540 HydrophobicContact CG2-CB 3.98Å; I535-E540 HydrophobicContact CG2-CG 4.09Å; D537-E540 HydrophobicContact CB-CB 4.06Å; D537-E540 PolarHBondContact O-N 3.46Å; E540-I542 VanDerWaalsContact C-N 3.31Å; E540-I542 PolarHBondContact O-N 3.47Å; E540-A543 PolarHBondContact O-N 3.2Å; E540-M544 HydrophobicContact CG-SD 4.47Å; E540-M544 WeakPolarHBondContact O-CG 3.43Å; E540-M544 PolarHBondContact O-N 3.49Å |
| 541 | K | 81.2 | Confident | 79.9 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.1 | -43.7 | 175.7 | -171.1 | 165.7 | -175.7 | 146.2 | 0 | 112 | C532 D533 I535 D537 L545 | C532-K541 WeakPolarHBondContact O-CE 3.45Å; C532-K541 PolarHBondContact O-NZ 3.01Å; D533-K541 IonicContact OD1-NZ 3.23Å; D533-K541 PolarHBondContact OD1-NZ 3.37Å; I535-K541 HydrophobicContact CG2-CB 4.09Å; D537-K541 PolarHBondContact O-N 3.33Å; K541-L545 HydrophobicContact CG-CD1 4.38Å; K541-L545 VanDerWaalsContact O-CG 3.29Å; K541-L545 WeakPolarHBondContact O-CG 3.49Å; K541-L545 PolarHBondContact O-N 3.16Å |
| 542 | I | 80 | Confident | 80.5 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.3 | -46.5 | 177.6 | -69.6 | 162.9 | 0 | 0 | 0 | 111.5 | L153 G154 T157 P538 N539 E540 M544 L545 I546 | L153-I542 HydrophobicContact CD2-CG2 3.95Å; L153-I542 HydrophobicContact CG-CG2 4.38Å; G154-I542 VanDerWaalsContact CA-CD1 3.5Å; T157-I542 HydrophobicContact CG2-CD1 3.97Å; T157-I542 HydrophobicContact CG2-CG1 4.42Å; P538-I542 WeakPolarHBondContact O-CD1 3.31Å; P538-I542 VanDerWaalsContact O-CG1 3.22Å; P538-I542 WeakPolarHBondContact O-CG1 3.41Å; P538-I542 PolarHBondContact O-N 3.44Å; P538-I542 VanDerWaalsContact O-N 3.08Å; N539-I542 PolarHBondContact O-N 2.95Å; E540-I542 VanDerWaalsContact C-N 3.31Å; E540-I542 PolarHBondContact O-N 3.47Å; I542-M544 PolarHBondContact O-N 3.09Å; I542-L545 PolarHBondContact O-N 3.16Å; I542-L545 VanDerWaalsContact O-N 3.16Å; I542-I546 HydrophobicContact CG2-CD1 3.74Å; I542-I546 HydrophobicContact CG2-CG1 4.29Å; I542-I546 WeakPolarHBondContact O-CG1 3.46Å; I542-I546 PolarHBondContact O-N 3.45Å |
| 543 | A | 83.6 | Confident | 81.9 | Confident | 58 Ų | 58 | 58.9 Ų | 58.9 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.4 | -40.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N539 E540 Q547 | N539-A543 WeakPolarHBondContact O-CB 3.1Å; N539-A543 PolarHBondContact O-N 3.46Å; E540-A543 PolarHBondContact O-N 3.2Å; A543-Q547 PolarHBondContact O-N 3.39Å |
| 544 | M | 82.9 | Confident | 83.1 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 175.4 | -74.4 | -175.9 | 40.2 | 0 | 0 | 113.6 | L524 I530 I535 E540 I542 I546 Q547 I548 | L524-M544 HydrophobicContact CD2-CE 3.74Å; I530-M544 HydrophobicContact CB-CE 3.74Å; I530-M544 HydrophobicContact CD1-CE 3.7Å; I530-M544 HydrophobicContact CD1-SD 4.2Å; I530-M544 HydrophobicContact CG1-CE 4.22Å; I530-M544 HydrophobicContact CG2-CE 3.62Å; I535-M544 HydrophobicContact CD1-CE 3.47Å; I535-M544 VanDerWaalsContact CD1-CE 3.47Å; I535-M544 HydrophobicContact CD1-SD 3.29Å; I535-M544 WeakPolarHBondContact CD1-SD 3.34Å; E540-M544 HydrophobicContact CG-SD 4.47Å; E540-M544 WeakPolarHBondContact O-CG 3.43Å; E540-M544 PolarHBondContact O-N 3.49Å; I542-M544 PolarHBondContact O-N 3.09Å; M544-I546 VanDerWaalsContact C-N 3.31Å; M544-I546 PolarHBondContact O-N 2.93Å; M544-Q547 WeakPolarHBondContact O-CB 3.24Å; M544-Q547 PolarHBondContact O-N 2.89Å; M544-Q547 VanDerWaalsContact O-N 3.15Å; M544-I548 WeakPolarHBondContact O-CG1 3.03Å; M544-I548 PolarHBondContact O-N 3.34Å |
| 545 | L | 80.1 | Confident | 84.1 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.3 | -74.7 | 169.3 | 0 | 0 | 0 | 111.5 | K541 I542 Q547 I548 L549 | K541-L545 HydrophobicContact CG-CD1 4.38Å; K541-L545 VanDerWaalsContact O-CG 3.29Å; K541-L545 WeakPolarHBondContact O-CG 3.49Å; K541-L545 PolarHBondContact O-N 3.16Å; I542-L545 PolarHBondContact O-N 3.16Å; I542-L545 VanDerWaalsContact O-N 3.16Å; L545-Q547 VanDerWaalsContact C-N 3.33Å; L545-Q547 PolarHBondContact O-N 3.19Å; L545-I548 PolarHBondContact O-N 3.01Å; L545-L549 WeakPolarHBondContact O-CG 3.47Å; L545-L549 PolarHBondContact O-N 3.43Å |
| 546 | I | 83.3 | Confident | 84.8 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 174.4 | -66.6 | 170.9 | 0 | 0 | 0 | 109.9 | L21 I542 M544 I548 L549 E550 | L21-I546 HydrophobicContact CD2-CD1 4.48Å; L21-I546 HydrophobicContact CD2-CG1 3.92Å; L21-I546 HydrophobicContact CD2-CG2 4.43Å; I542-I546 HydrophobicContact CG2-CD1 3.74Å; I542-I546 HydrophobicContact CG2-CG1 4.29Å; I542-I546 WeakPolarHBondContact O-CG1 3.46Å; I542-I546 PolarHBondContact O-N 3.45Å; M544-I546 VanDerWaalsContact C-N 3.31Å; M544-I546 PolarHBondContact O-N 2.93Å; I546-I548 VanDerWaalsContact C-N 3.34Å; I546-I548 PolarHBondContact O-N 3.3Å; I546-L549 PolarHBondContact O-N 2.81Å; I546-E550 HydrophobicContact CG2-CG 4.14Å; I546-E550 WeakPolarHBondContact O-CB 3.32Å; I546-E550 WeakPolarHBondContact O-CG 3Å; I546-E550 PolarHBondContact O-N 3.24Å |
| 547 | Q | 85.6 | Confident | 85.5 | Confident | 69 Ų | 69 | 43 Ų | 43 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 178.1 | -170.1 | 112.6 | -2.2 | 0 | 0 | 112.1 | L524 A543 M544 L545 L549 F551 | L524-Q547 HydrophobicContact CD1-CB 4.21Å; L524-Q547 HydrophobicContact CD1-CG 3.8Å; A543-Q547 PolarHBondContact O-N 3.39Å; M544-Q547 WeakPolarHBondContact O-CB 3.24Å; M544-Q547 PolarHBondContact O-N 2.89Å; M544-Q547 VanDerWaalsContact O-N 3.15Å; L545-Q547 VanDerWaalsContact C-N 3.33Å; L545-Q547 PolarHBondContact O-N 3.19Å; Q547-L549 VanDerWaalsContact C-N 3.34Å; Q547-L549 PolarHBondContact O-N 2.71Å; Q547-F551 HydrophobicContact CG-CD2 4.06Å; Q547-F551 HydrophobicContact CG-CG 4.48Å; Q547-F551 WeakPolarHBondContact O-CB 3.41Å; Q547-F551 PolarHBondContact O-N 3.41Å |
| 548 | I | 84.8 | Confident | 85.9 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 179.1 | -69.2 | 164.7 | 0 | 0 | 0 | 111.3 | L241 M544 L545 I546 Q553 | L241-I548 HydrophobicContact CD1-CD1 4.25Å; L241-I548 HydrophobicContact CD1-CG1 4.25Å; L241-I548 HydrophobicContact CD1-CG2 3.9Å; L241-I548 HydrophobicContact CG-CG2 3.89Å; M544-I548 WeakPolarHBondContact O-CG1 3.03Å; M544-I548 PolarHBondContact O-N 3.34Å; L545-I548 PolarHBondContact O-N 3.01Å; I546-I548 VanDerWaalsContact C-N 3.34Å; I546-I548 PolarHBondContact O-N 3.3Å; I548-Q553 HydrophobicContact CG2-CG 3.87Å |
| 549 | L | 83.4 | Confident | 86.6 | Confident | 40 Ų | 40 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.3 | -36.2 | -177.2 | -67.7 | 173.1 | 0 | 0 | 0 | 112.6 | S322 P386 L545 I546 Q547 | S322-L549 VanDerWaalsContact CB-O 3.31Å; S322-L549 WeakPolarHBondContact CB-O 3.41Å; P386-L549 VanDerWaalsContact CG-O 3.26Å; P386-L549 WeakPolarHBondContact CG-O 3.22Å; L545-L549 WeakPolarHBondContact O-CG 3.47Å; L545-L549 PolarHBondContact O-N 3.43Å; I546-L549 PolarHBondContact O-N 2.81Å; Q547-L549 VanDerWaalsContact C-N 3.34Å; Q547-L549 PolarHBondContact O-N 2.71Å |
| 550 | E | 84.4 | Confident | 86.7 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 40% | 0.397 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -89.4 | -33.4 | -175.3 | -68.8 | -173 | 169.3 | 0 | 0 | 114 | P386 I546 | P386-E550 WeakPolarHBondContact CD-O 3.26Å; I546-E550 HydrophobicContact CG2-CG 4.14Å; I546-E550 WeakPolarHBondContact O-CB 3.32Å; I546-E550 WeakPolarHBondContact O-CG 3Å; I546-E550 PolarHBondContact O-N 3.24Å |
| 551 | F | 83.7 | Confident | 86.8 | Confident | 93 Ų | 93 | 40.4 Ų | 40.4 | 41% | 0.408 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -98.4 | 3.1 | -171.4 | -69.5 | -97.3 | 0 | 0 | 0 | 114.3 | H382 Q547 | H382-F551 WeakPolarHBondContact CB-O 3.4Å; Q547-F551 HydrophobicContact CG-CD2 4.06Å; Q547-F551 HydrophobicContact CG-CG 4.48Å; Q547-F551 WeakPolarHBondContact O-CB 3.41Å; Q547-F551 PolarHBondContact O-N 3.41Å |
| 552 | G | 82.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | trans | 90.5 | 154.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S384 | S384-G552 VanDerWaalsContact O-CA 3.24Å; S384-G552 WeakPolarHBondContact O-CA 3.44Å | ||
| 553 | Q | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -118.9 | 139.9 | -176.8 | -66.2 | 173.1 | 48.5 | 0 | 0 | 110.6 | L241 R316 S322 Q323 H382 I548 | L241-Q553 HydrophobicContact CD2-CB 4Å; L241-Q553 HydrophobicContact CD2-CG 3.95Å; L241-Q553 HydrophobicContact CG-CG 4.14Å; R316-Q553 PolarHBondContact NH1-O 3.32Å; R316-Q553 PolarHBondContact NH2-O 2.73Å; S322-Q553 PolarHBondContact O-N 3.21Å; S322-Q553 PolarHBondContact OG-NE2 2.89Å; Q323-Q553 HydrophobicContact CG-CB 4.18Å; H382-Q553 PolarHBondContact CE1-O 2.96Å; I548-Q553 HydrophobicContact CG2-CG 3.87Å | ||
| 554 | T | 94.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -73 | 135.8 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 109.3 | R238 H382 Q509 T525 Y526 | R238-T554 PolarHBondContact NH2-O 3.24Å; H382-T554 PolarHBondContact NE2-OG1 3.4Å; Q509-T554 HydrophobicContact CG-CG2 3.86Å; T525-T554 WeakPolarHBondContact O-CB 3.46Å; T525-T554 PolarHBondContact O-N 3.26Å; T525-T554 PolarHBondContact O-OG1 3.25Å; T525-T554 PolarHBondContact OG1-OG1 3.36Å; Y526-T554 HydrophobicContact CD1-CG2 3.87Å; Y526-T554 HydrophobicContact CE1-CG2 3.86Å |
| 555 | P | 95.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 158.8 | 178 | -1.6 | 12.8 | 0 | 0 | 0 | 111.3 | A314 R316 Y383 V504 F505 Q509 Q557 | A314-P555 HydrophobicContact CB-CB 3.63Å; R316-P555 VanDerWaalsContact NH2-CG 3.25Å; Y383-P555 WeakPolarHBondContact OH-CD 3.29Å; V504-P555 HydrophobicContact CG1-CG 3.78Å; F505-P555 HydrophobicContact CD1-CB 3.83Å; F505-P555 HydrophobicContact CD1-CG 4.11Å; F505-P555 HydrophobicContact CE1-CB 3.65Å; F505-P555 HydrophobicContact CE1-CG 3.8Å; Q509-P555 PolarHBondContact NE2-O 3.22Å; P555-Q557 PolarHBondContact O-N 3.33Å |
| 556 | T | 93.1 | Very high | 87.6 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 134.7 | 171.5 | -49.7 | 0 | 0 | 0 | 0 | 109.4 | R238 A314 D315 L558 | R238-T556 PolarHBondContact NE-OG1 3.1Å; R238-T556 PolarHBondContact NH1-OG1 3.32Å; R238-T556 VanDerWaalsContact NH2-N 3.14Å; R238-T556 PolarHBondContact NH2-OG1 2.96Å; A314-T556 PolarHBondContact O-N 2.96Å; D315-T556 PolarHBondContact OD2-OG1 2.92Å; T556-L558 PolarHBondContact O-N 3.42Å |
| 557 | Q | 94.6 | Very high | 87.2 | Confident | 38 Ų | 38 | 44.7 Ų | 44.7 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 119.4 | 173 | -168.6 | 179.4 | 30.3 | 0 | 0 | 108.9 | F505 G506 P555 F559 | F505-Q557 CarbonylContact O-C 3.55Å; G506-Q557 PolarHBondContact O-NE2 3.2Å; P555-Q557 PolarHBondContact O-N 3.33Å; Q557-F559 WeakPolarHBondContact CG-O 3.43Å; Q557-F559 PolarHBondContact NE2-O 2.99Å |
| 558 | L | 92.9 | Very high | 85.8 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | trans | -93.1 | -33.9 | -179.6 | -60.1 | -178.1 | 0 | 0 | 0 | 112 | A289 L310 L313 A314 F505 T556 | A289-L558 HydrophobicContact CB-CB 4.39Å; L310-L558 HydrophobicContact CB-CD1 4.23Å; L310-L558 HydrophobicContact CD2-CD1 3.8Å; L310-L558 WeakPolarHBondContact O-CD1 3.47Å; L313-L558 HydrophobicContact CB-CD1 3.87Å; L313-L558 HydrophobicContact CB-CD2 3.94Å; A314-L558 HydrophobicContact CB-CD1 4.1Å; A314-L558 HydrophobicContact CB-CD2 4.25Å; A314-L558 HydrophobicContact CB-CG 4.14Å; F505-L558 HydrophobicContact CB-CB 4.44Å; F505-L558 HydrophobicContact CB-CD1 4.31Å; F505-L558 HydrophobicContact CB-CG 4.36Å; F505-L558 HydrophobicContact CD1-CD1 4.36Å; F505-L558 HydrophobicContact CG-CD1 4.49Å; F505-L558 PolarHBondContact O-N 3.11Å; T556-L558 PolarHBondContact O-N 3.42Å | ||
| 559 | F | 91.9 | Very high | 83.8 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | trans | -125.4 | 139 | -175.6 | -47.7 | -77.1 | 0 | 0 | 0 | 111.4 | A289 M293 L310 I501 F505 G506 F507 Q557 H563 | A289-F559 HydrophobicContact CB-CE1 3.61Å; A289-F559 HydrophobicContact CB-CZ 3.62Å; M293-F559 HydrophobicContact SD-CE1 4.45Å; L310-F559 HydrophobicContact CD2-CE2 3.79Å; L310-F559 HydrophobicContact CD2-CZ 3.87Å; I501-F559 HydrophobicContact CG2-CD2 4.32Å; I501-F559 HydrophobicContact CG2-CE2 4.21Å; F505-F559 PolarHBondContact O-N 2.81Å; F505-F559 VanDerWaalsContact O-N 3.16Å; G506-F559 CarbonylContact C-O 3.54Å; G506-F559 VanDerWaalsContact CA-O 3.26Å; G506-F559 WeakPolarHBondContact CA-O 3.48Å; F507-F559 PolarHBondContact N-O 2.91Å; Q557-F559 WeakPolarHBondContact CG-O 3.43Å; Q557-F559 PolarHBondContact NE2-O 2.99Å; F559-H563 AromaticContact CD2-CD2 3.65Å; F559-H563 AromaticContact CE2-CD2 3.52Å; F559-H563 AromaticContact CE2-NE2 3.68Å; F559-H563 AromaticContact CZ-NE2 3.84Å | ||
| 560 | T | 87.2 | Confident | 81.6 | Confident | 113 Ų | 113 | 55 Ų | 55 | 69% | 0.693 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -109.1 | -7.3 | 178.4 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | F507 | F507-T560 VanDerWaalsContact CB-C 3.49Å; F507-T560 VanDerWaalsContact CB-O 3.24Å; F507-T560 WeakPolarHBondContact CB-O 3.46Å |
| 561 | T | 84.1 | Confident | 79.1 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -113.4 | 164.7 | 173.6 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | H563 | T561-H563 PolarHBondContact O-N 3.48Š|
| 562 | P | 87.8 | Confident | 76.5 | Confident | 72 Ų | 72 | 64 Ų | 64 | 47% | 0.468 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 130 | 174.1 | -26.1 | 34.8 | 0 | 0 | 0 | 112.6 | F507 | F507-P562 VanDerWaalsContact CD1-CA 3.48Å; F507-P562 HydrophobicContact CD1-CB 4.25Å; F507-P562 HydrophobicContact CD1-CG 4.17Å; F507-P562 VanDerWaalsContact CE1-CA 3.48Å; F507-P562 HydrophobicContact CE1-CB 3.77Å; F507-P562 HydrophobicContact CE1-CG 3.74Å; F507-P562 HydrophobicContact CE2-CG 4.47Å; F507-P562 HydrophobicContact CZ-CB 4.34Å; F507-P562 HydrophobicContact CZ-CG 3.9Å |
| 563 | H | 87.5 | Confident | 73.8 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 2% | 0.023 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 129 | -179.2 | -165.6 | -72.9 | 0 | 0 | 0 | 110.6 | W296 Y306 H498 I501 D502 F559 T561 | W296-H563 AromaticContact CZ3-CE1 3.51Å; W296-H563 AromaticContact CZ3-ND1 3.92Å; Y306-H563 AromaticContact CE1-CE1 3.78Å; Y306-H563 AromaticContact CE1-NE2 3.83Å; Y306-H563 AromaticContact CZ-CE1 3.98Å; Y306-H563 AromaticContact CZ-NE2 3.74Å; Y306-H563 PolarHBondContact OH-CE1 2.83Å; Y306-H563 VanDerWaalsContact OH-CE1 3.29Å; Y306-H563 PolarHBondContact OH-NE2 3.48Å; H498-H563 HydrophobicContact CB-CB 4.14Å; H498-H563 PolarHBondContact CD2-O 3.46Å; I501-H563 HydrophobicContact CG2-CB 4.39Å; I501-H563 WeakPolarHBondContact CG2-CD2 3.28Å; D502-H563 VanDerWaalsContact OD1-CB 3.25Å; D502-H563 WeakPolarHBondContact OD1-CB 3.49Å; D502-H563 PolarHBondContact OD1-N 2.86Å; F559-H563 AromaticContact CD2-CD2 3.65Å; F559-H563 AromaticContact CE2-CD2 3.52Å; F559-H563 AromaticContact CE2-NE2 3.68Å; F559-H563 AromaticContact CZ-NE2 3.84Å; T561-H563 PolarHBondContact O-N 3.48Å |
| 564 | P | 81.2 | Confident | 71 | Confident | 46 Ų | 46 | 77 Ų | 77 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 143 | 177.6 | -26.8 | 37 | 0 | 0 | 0 | 113 | M293 H498 | M293-P564 HydrophobicContact CE-CG 4.27Å; M293-P564 HydrophobicContact SD-CB 4.49Å; M293-P564 VanDerWaalsContact SD-CD 3.54Å; M293-P564 HydrophobicContact SD-CG 3.67Å; H498-P564 VanDerWaalsContact CB-O 3.3Å; H498-P564 WeakPolarHBondContact CB-O 3.27Å |
| 565 | Q | 86.4 | Confident | 67.9 | Low | 91 Ų | 91 | 81.2 Ų | 81.2 | 43% | 0.425 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 150 | 172.8 | -171.4 | 177.6 | 25.8 | 0 | 0 | 111.1 | Q297 E495 | Q297-Q565 PolarHBondContact NE2-O 3.15Å; E495-Q565 WeakPolarHBondContact O-CG 3.45Å; E495-Q565 PolarHBondContact O-NE2 2.66Å |
| 566 | R | 82.8 | Confident | 64.6 | Low | 32 Ų | 32 | 93 Ų | 93 | 12% | 0.121 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 139.9 | 172.6 | -156.1 | -175.7 | -173.5 | -171.6 | -1.9 | 110.6 | W296 L301 N303 S494 T568 | W296-R566 HydrophobicContact CD2-CG 4.15Å; W296-R566 HydrophobicContact CH2-CB 3.81Å; W296-R566 HydrophobicContact CH2-CG 4.44Å; W296-R566 HydrophobicContact CZ2-CB 3.7Å; W296-R566 HydrophobicContact CZ2-CG 4.01Å; W296-R566 HydrophobicContact CZ3-CB 4.25Å; W296-R566 WeakPolarHBondContact O-CG 3.45Å; W296-R566 PolarHBondContact O-NE 2.77Å; W296-R566 VanDerWaalsContact O-NE 3.09Å; L301-R566 PolarHBondContact O-NH2 3.44Å; N303-R566 PolarHBondContact OD1-NH1 2.89Å; S494-R566 VanDerWaalsContact O-CB 3.23Å; S494-R566 WeakPolarHBondContact O-CB 3.38Å; S494-R566 PolarHBondContact OG-NH1 3.49Å; R566-T568 PolarHBondContact O-N 3.25Å; R566-T568 VanDerWaalsContact O-N 3.17Å |
| 567 | I | 73.3 | Confident | 61.4 | Low | 87 Ų | 87 | 97.9 Ų | 97.9 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | trans | -79 | 102.3 | 177.1 | -53.5 | 170.1 | 0 | 0 | 0 | 107.8 | Q297 L870 | Q297-I567 HydrophobicContact CB-CD1 4.39Å; Q297-I567 HydrophobicContact CB-CG1 4.35Å; Q297-I567 VanDerWaalsContact O-CB 3.27Å; Q297-I567 WeakPolarHBondContact O-CB 3.3Å; Q297-I567 PolarHBondContact O-N 3.39Å; Q297-I567 VanDerWaalsContact O-N 3.15Å; I567-L870 HydrophobicContact CG2-CD2 4.31Å | ||
| 568 | T | 56.6 | Low | 58.5 | Low | 35 Ų | 35 | 102.1 Ų | 102.1 | 22% | 0.215 | 54% | 0.536 | C | S | . | . | trans | -97 | 128.3 | 177.7 | 54.4 | 0 | 0 | 0 | 0 | 111.3 | E495 R566 R570 | E495-T568 HydrophobicContact CG-CG2 3.92Å; E495-T568 PolarHBondContact OE1-OG1 2.99Å; E495-T568 VanDerWaalsContact OE1-OG1 3.11Å; R566-T568 PolarHBondContact O-N 3.25Å; R566-T568 VanDerWaalsContact O-N 3.17Å; T568-R570 PolarHBondContact O-N 3.47Å | ||
| 569 | P | 43.8 | Very low | 55.5 | Low | 94 Ų | 94 | 105.7 Ų | 105.7 | 61% | 0.61 | 56% | 0.564 | S | S | * | * | trans | -72.5 | 111.5 | 172 | 26.8 | -29.6 | 0 | 0 | 0 | 109.2 | F571 | P569-F571 PolarHBondContact O-N 3.4Å; P569-F571 VanDerWaalsContact O-N 3.08Å | ||
| 570 | R | 36.5 | Very low | 52.6 | Low | 202 Ų | 202 | 111.4 Ų | 111.4 | 76% | 0.762 | 60% | 0.6 | S | S | * | * | trans | -67.5 | 106.1 | 175.6 | -73.3 | -174.4 | 176.1 | 179.5 | 0.1 | 110.3 | T568 Q572 | T568-R570 PolarHBondContact O-N 3.47Å; R570-Q572 PolarHBondContact O-N 3.09Å | ||
| 571 | F | 32.4 | Very low | 49.9 | Very low | 187 Ų | 187 | 112.9 Ų | 112.9 | 82% | 0.82 | 60% | 0.604 | S | S | * | * | trans | -76.7 | 111.5 | 164.8 | -84.5 | -86.6 | 0 | 0 | 0 | 109.7 | P569 S573 | P569-F571 PolarHBondContact O-N 3.4Å; P569-F571 VanDerWaalsContact O-N 3.08Å; F571-S573 PolarHBondContact O-N 3.02Å | ||
| 572 | Q | 29.2 | Very low | 47.1 | Very low | 181 Ų | 181 | 116.4 Ų | 116.4 | 85% | 0.846 | 63% | 0.625 | S | S | * | * | trans | -70.5 | 112.2 | 170.3 | -76.7 | 179.6 | -18.8 | 0 | 0 | 110 | R570 I574 | R570-Q572 PolarHBondContact O-N 3.09Å; Q572-I574 PolarHBondContact O-N 3.34Å | ||
| 573 | S | 26.2 | Very low | 44.4 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 64% | 0.638 | S | S | * | * | trans | -65.6 | 111.6 | 167.3 | 166.7 | 0 | 0 | 0 | 0 | 110.2 | F571 S575 | F571-S573 PolarHBondContact O-N 3.02Å; S573-S575 PolarHBondContact O-N 2.74Å; S573-S575 VanDerWaalsContact O-N 3.1Å; S573-S575 PolarHBondContact OG-OG 3.26Å | ||
| 574 | I | 32.8 | Very low | 41.8 | Very low | 170 Ų | 170 | 126 Ų | 126 | 87% | 0.872 | 68% | 0.678 | S | S | * | * | trans | -74.5 | 92.2 | 168.1 | -61.9 | 168.4 | 0 | 0 | 0 | 107.4 | Q572 | Q572-I574 PolarHBondContact O-N 3.34Š| ||
| 575 | S | 30.3 | Very low | 39.3 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | trans | -146.1 | 80.3 | 168 | -48 | 0 | 0 | 0 | 0 | 111.4 | S573 | S573-S575 PolarHBondContact O-N 2.74Å; S573-S575 VanDerWaalsContact O-N 3.1Å; S573-S575 PolarHBondContact OG-OG 3.26Å | ||
| 576 | R | 27 | Very low | 36.4 | Very low | 248 Ų | 248 | 133 Ų | 133 | 94% | 0.936 | 71% | 0.711 | S | S | * | * | trans | -139.8 | 106.6 | 154.5 | -81.6 | -165.2 | 168.9 | 172.5 | -3.4 | 111.4 | ||||
| 577 | T | 25.5 | Very low | 33.8 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | -66.2 | 152.8 | 164.5 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 578 | P | 34 | Very low | 31.5 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -93.1 | 135.1 | -176.7 | 35.2 | -30.1 | 0 | 0 | 0 | 112.3 | ||||
| 579 | S | 28.3 | Very low | 30.7 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -148.5 | 100.9 | 163.8 | 57.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 580 | V | 31.6 | Very low | 29.7 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | 67.5 | 102.1 | 91.3 | -178.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 581 | N | 29.7 | Very low | 29.4 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | 25.2 | 125.4 | 142.4 | -61.6 | -12.2 | 0 | 0 | 0 | 121.9 | ||||
| 582 | T | 25.6 | Very low | 29 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | -170.7 | 158.6 | 115.4 | 10.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 583 | P | 32 | Very low | 28.8 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | trans | -104.7 | 168 | -151.3 | 40.6 | -37.1 | 0 | 0 | 0 | 117.5 | ||||
| 584 | L | 33.2 | Very low | 29.1 | Very low | 163 Ų | 163 | 138.8 Ų | 138.8 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -26.6 | 133.8 | 167.2 | -67.4 | 138.9 | 0 | 0 | 0 | 118.1 | ||||
| 585 | N | 27.1 | Very low | 29 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | -170.2 | 141.9 | 113.4 | -117.5 | 12.1 | 0 | 0 | 0 | 115.4 | |||||
| 586 | E | 27.2 | Very low | 29 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 70% | 0.696 | 81% | 0.812 | S | S | * | * | trans | 88.2 | 98.5 | 143.3 | -71.6 | 174.8 | -158.7 | 0 | 0 | 123.7 | ||||
| 587 | L | 26.8 | Very low | 29.4 | Very low | 159 Ų | 159 | 132.4 Ų | 132.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | 83.1 | 111.2 | 122.9 | -65.7 | 163.6 | 0 | 0 | 0 | 121.4 | |||||
| 588 | S | 25.2 | Very low | 29.6 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -64.8 | -171.1 | 170.8 | -28.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 589 | P | 40.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | cis | -138.7 | 155.1 | -5 | 36 | -16.7 | 0 | 0 | 0 | 115.9 | ||||
| 590 | A | 21.7 | Very low | 30.8 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -169.2 | 110.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 591 | S | 30.9 | Very low | 31.3 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 46.6 | 97.5 | 147.9 | 63.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 592 | T | 24.7 | Very low | 32.7 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -143.4 | 131.7 | 143.2 | 42.9 | 0 | 0 | 0 | 0 | 109.2 | E594 | T592-E594 PolarHBondContact O-N 3.05Š| ||
| 593 | S | 25.1 | Very low | 34.7 | Very low | 123 Ų | 123 | 128.1 Ų | 128.1 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -43.1 | 120.1 | 178.1 | 46.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 594 | E | 32 | Very low | 36.5 | Very low | 184 Ų | 184 | 128.2 Ų | 128.2 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | -79.3 | 121 | 162.6 | -67.7 | -177.3 | 155.6 | 0 | 0 | 109.1 | T592 | T592-E594 PolarHBondContact O-N 3.05Š| ||
| 595 | D | 30.1 | Very low | 38.4 | Very low | 166 Ų | 166 | 124 Ų | 124 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | trans | 178.8 | 90.4 | 140.8 | -98.6 | -17 | 0 | 0 | 0 | 109.5 | ||||
| 596 | S | 30.5 | Very low | 40.9 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -166.1 | 16.6 | 159.9 | 75.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 597 | S | 35 | Very low | 43.4 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -109.3 | 1.1 | -171 | 70 | 0 | 0 | 0 | 0 | 116.7 | ||
| 598 | F | 31.2 | Very low | 46 | Very low | 171 Ų | 171 | 118.8 Ų | 118.8 | 75% | 0.75 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -103.7 | -28.5 | -178 | -153.3 | -98.1 | 0 | 0 | 0 | 114.6 | ||
| 599 | E | 42.8 | Very low | 48.8 | Very low | 164 Ų | 164 | 113.8 Ų | 113.8 | 77% | 0.766 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.4 | -37.7 | 179.5 | -70.9 | -175.3 | 156.5 | 0 | 0 | 112.5 | L601 T602 E603 | E599-L601 PolarHBondContact O-N 3.35Å; E599-T602 PolarHBondContact O-N 3.42Å; E599-T602 VanDerWaalsContact O-N 3.1Å; E599-T602 PolarHBondContact O-OG1 3Å; E599-E603 PolarHBondContact O-N 2.65Å |
| 600 | D | 43.1 | Very low | 51.1 | Low | 114 Ų | 114 | 108.5 Ų | 108.5 | 61% | 0.61 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.5 | -39.2 | -173.2 | -127.1 | -0.2 | 0 | 0 | 0 | 113 | T602 E604 | D600-T602 VanDerWaalsContact C-N 3.33Å; D600-T602 PolarHBondContact O-N 2.84Å; D600-E604 PolarHBondContact O-N 3.06Å |
| 601 | L | 42 | Very low | 54.1 | Low | 113 Ų | 113 | 110 Ų | 110 | 59% | 0.592 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69 | -29.7 | 178 | -73.7 | 163 | 0 | 0 | 0 | 112.7 | E599 T605 | E599-L601 PolarHBondContact O-N 3.35Å; L601-T605 WeakPolarHBondContact O-CB 3.38Å; L601-T605 PolarHBondContact O-N 2.89Å; L601-T605 PolarHBondContact O-OG1 2.92Å |
| 602 | T | 60.5 | Low | 56.7 | Low | 54 Ų | 54 | 106.4 Ų | 106.4 | 33% | 0.331 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.7 | -34.2 | -179.7 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | E599 D600 R606 | E599-T602 PolarHBondContact O-N 3.42Å; E599-T602 VanDerWaalsContact O-N 3.1Å; E599-T602 PolarHBondContact O-OG1 3Å; D600-T602 VanDerWaalsContact C-N 3.33Å; D600-T602 PolarHBondContact O-N 2.84Å; T602-R606 WeakPolarHBondContact O-CG 3.25Å; T602-R606 PolarHBondContact O-N 3.02Å; T602-R606 VanDerWaalsContact O-N 3.13Å; T602-R606 PolarHBondContact O-NE 3.1Å; T602-R606 PolarHBondContact OG1-NH2 3.28Å |
| 603 | E | 66.6 | Low | 59.8 | Low | 94 Ų | 94 | 100 Ų | 100 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 172.5 | -78.1 | -148.7 | 170.4 | 0 | 0 | 112.6 | E599 T605 R606 R607 | E599-E603 PolarHBondContact O-N 2.65Å; E603-T605 VanDerWaalsContact C-N 3.31Å; E603-T605 PolarHBondContact O-N 3.3Å; E603-R606 PolarHBondContact O-N 3.45Å; E603-R607 WeakPolarHBondContact O-CG 3.48Å; E603-R607 PolarHBondContact O-N 3.15Å; E603-R607 IonicContact OE2-NH2 2.63Å; E603-R607 PolarHBondContact OE2-NH2 2.89Å |
| 604 | E | 69.6 | Low | 62.7 | Low | 116 Ų | 116 | 96.1 Ų | 96.1 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 176.9 | -73.5 | -167.2 | 155.2 | 0 | 0 | 111.9 | D600 R606 R607 L608 | D600-E604 PolarHBondContact O-N 3.06Å; E604-R606 VanDerWaalsContact C-N 3.35Å; E604-R606 PolarHBondContact O-N 3.24Å; E604-R607 PolarHBondContact O-N 3.49Å; E604-L608 WeakPolarHBondContact O-CB 3.32Å; E604-L608 WeakPolarHBondContact O-CG 3.24Å; E604-L608 PolarHBondContact O-N 2.94Å |
| 605 | T | 74.5 | Confident | 65.3 | Low | 75 Ų | 75 | 92.8 Ų | 92.8 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | L601 E603 L608 A609 | L601-T605 WeakPolarHBondContact O-CB 3.38Å; L601-T605 PolarHBondContact O-N 2.89Å; L601-T605 PolarHBondContact O-OG1 2.92Å; E603-T605 VanDerWaalsContact C-N 3.31Å; E603-T605 PolarHBondContact O-N 3.3Å; T605-L608 PolarHBondContact O-N 3.48Å; T605-A609 WeakPolarHBondContact O-CB 3.34Å; T605-A609 PolarHBondContact O-N 3.07Å |
| 606 | R | 78.8 | Confident | 68.2 | Low | 90 Ų | 90 | 85.3 Ų | 85.3 | 34% | 0.34 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 175.6 | -79.9 | -178.2 | -86.2 | -138.5 | 5.4 | 112 | T602 E603 E604 L608 A609 W610 E892 | T602-R606 WeakPolarHBondContact O-CG 3.25Å; T602-R606 PolarHBondContact O-N 3.02Å; T602-R606 VanDerWaalsContact O-N 3.13Å; T602-R606 PolarHBondContact O-NE 3.1Å; T602-R606 PolarHBondContact OG1-NH2 3.28Å; E603-R606 PolarHBondContact O-N 3.45Å; E604-R606 VanDerWaalsContact C-N 3.35Å; E604-R606 PolarHBondContact O-N 3.24Å; R606-L608 VanDerWaalsContact C-N 3.35Å; R606-L608 PolarHBondContact O-N 3.43Å; R606-A609 WeakPolarHBondContact O-CB 3.46Å; R606-A609 PolarHBondContact O-N 2.95Å; R606-W610 VanDerWaalsContact O-CD1 3.27Å; R606-W610 PolarHBondContact O-N 3.29Å; R606-E892 VanDerWaalsContact CD-O 3.28Å; R606-E892 WeakPolarHBondContact CD-O 3.38Å; R606-E892 WeakPolarHBondContact CG-O 3.33Å |
| 607 | R | 79.9 | Confident | 71.1 | Confident | 138 Ų | 138 | 85.5 Ų | 85.5 | 52% | 0.521 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 177.3 | -71.8 | -177.1 | -171.8 | 171.4 | 11.1 | 111.9 | E603 E604 A609 W610 N611 | E603-R607 WeakPolarHBondContact O-CG 3.48Å; E603-R607 PolarHBondContact O-N 3.15Å; E603-R607 IonicContact OE2-NH2 2.63Å; E603-R607 PolarHBondContact OE2-NH2 2.89Å; E604-R607 PolarHBondContact O-N 3.49Å; R607-A609 VanDerWaalsContact C-N 3.3Å; R607-A609 PolarHBondContact O-N 2.94Å; R607-W610 PolarHBondContact O-N 3.1Å; R607-N611 WeakPolarHBondContact O-CB 3.48Å; R607-N611 PolarHBondContact O-N 2.84Å; R607-N611 PolarHBondContact O-ND2 2.99Å |
| 608 | L | 81.5 | Confident | 73.8 | Confident | 105 Ų | 105 | 84.8 Ų | 84.8 | 55% | 0.55 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 175.4 | -77.9 | 164.4 | 0 | 0 | 0 | 112.4 | E604 T605 R606 N612 | E604-L608 WeakPolarHBondContact O-CB 3.32Å; E604-L608 WeakPolarHBondContact O-CG 3.24Å; E604-L608 PolarHBondContact O-N 2.94Å; T605-L608 PolarHBondContact O-N 3.48Å; R606-L608 VanDerWaalsContact C-N 3.35Å; R606-L608 PolarHBondContact O-N 3.43Å; L608-N612 PolarHBondContact O-N 3.18Å; L608-N612 PolarHBondContact O-ND2 2.72Å |
| 609 | A | 84.8 | Confident | 76.7 | Confident | 7 Ų | 7 | 82 Ų | 82 | 6% | 0.058 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.8 | -46.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T605 R606 R607 N612 I613 C894 L911 | T605-A609 WeakPolarHBondContact O-CB 3.34Å; T605-A609 PolarHBondContact O-N 3.07Å; R606-A609 WeakPolarHBondContact O-CB 3.46Å; R606-A609 PolarHBondContact O-N 2.95Å; R607-A609 VanDerWaalsContact C-N 3.3Å; R607-A609 PolarHBondContact O-N 2.94Å; A609-N612 CarbonylContact O-C 3.54Å; A609-N612 PolarHBondContact O-N 3.04Å; A609-N612 VanDerWaalsContact O-N 3.1Å; A609-I613 PolarHBondContact O-N 3.18Å; A609-C894 HydrophobicContact CB-CB 3.82Å; A609-L911 HydrophobicContact CB-CD2 4.01Å |
| 610 | W | 88.4 | Confident | 79 | Confident | 12 Ų | 12 | 76 Ų | 76 | 5% | 0.045 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.2 | -81.9 | 108.6 | 0 | 0 | 0 | 113.2 | R606 R607 N612 I613 C849 W850 D851 T854 L856 M890 C894 | R606-W610 VanDerWaalsContact O-CD1 3.27Å; R606-W610 PolarHBondContact O-N 3.29Å; R607-W610 PolarHBondContact O-N 3.1Å; W610-N612 PolarHBondContact O-N 3.19Å; W610-N612 VanDerWaalsContact O-N 3.15Å; W610-I613 HydrophobicContact CE3-CB 4.22Å; W610-I613 HydrophobicContact CE3-CG1 4.11Å; W610-I613 HydrophobicContact CE3-CG2 4.23Å; W610-I613 HydrophobicContact CZ3-CG1 4.16Å; W610-I613 WeakPolarHBondContact O-CB 3.46Å; W610-I613 VanDerWaalsContact O-CG2 3.25Å; W610-I613 WeakPolarHBondContact O-CG2 3.32Å; W610-I613 PolarHBondContact O-N 3.05Å; W610-I613 VanDerWaalsContact O-N 3.1Å; W610-C849 HydrophobicContact CH2-CB 4.2Å; W610-C849 WeakPolarHBondContact CH2-O 3.31Å; W610-W850 VanDerWaalsContact CH2-CA 3.46Å; W610-D851 HydrophobicContact CD2-CB 3.9Å; W610-D851 HydrophobicContact CG-CB 3.89Å; W610-D851 HydrophobicContact CZ2-CB 4.26Å; W610-T854 HydrophobicContact CE3-CG2 4.08Å; W610-T854 HydrophobicContact CZ3-CG2 4.37Å; W610-L856 HydrophobicContact CH2-CB 4.34Å; W610-L856 HydrophobicContact CZ3-CB 4.11Å; W610-M890 HydrophobicContact CH2-CE 3.93Å; W610-M890 HydrophobicContact CH2-SD 4.37Å; W610-M890 HydrophobicContact CZ2-CE 3.21Å; W610-M890 HydrophobicContact CZ2-SD 4.02Å; W610-C894 PolarHBondContact NE1-SG 3.31Å |
| 611 | N | 84 | Confident | 81.4 | Confident | 122 Ų | 122 | 73.2 Ų | 73.2 | 65% | 0.652 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.2 | -25.9 | 173.9 | -73.8 | -20.7 | 0 | 0 | 0 | 113.1 | R607 | R607-N611 WeakPolarHBondContact O-CB 3.48Å; R607-N611 PolarHBondContact O-N 2.84Å; R607-N611 PolarHBondContact O-ND2 2.99Å |
| 612 | N | 86.2 | Confident | 83.9 | Confident | 39 Ų | 39 | 69.3 Ų | 69.3 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 9.7 | 179.7 | -71.9 | -66.3 | 0 | 0 | 0 | 112.9 | L608 A609 W610 A614 K615 L911 | L608-N612 PolarHBondContact O-N 3.18Å; L608-N612 PolarHBondContact O-ND2 2.72Å; A609-N612 CarbonylContact O-C 3.54Å; A609-N612 PolarHBondContact O-N 3.04Å; A609-N612 VanDerWaalsContact O-N 3.1Å; W610-N612 PolarHBondContact O-N 3.19Å; W610-N612 VanDerWaalsContact O-N 3.15Å; N612-A614 PolarHBondContact O-N 2.98Å; N612-A614 VanDerWaalsContact O-N 3.09Å; N612-K615 HydrophobicContact CB-CD 4.36Å; N612-K615 WeakPolarHBondContact O-CB 3.28Å; N612-K615 PolarHBondContact O-N 2.96Å; N612-K615 PolarHBondContact OD1-NZ 2.81Å; N612-L911 HydrophobicContact CB-CD2 3.98Å; N612-L911 HydrophobicContact CB-CG 4.43Å; N612-L911 WeakPolarHBondContact O-CD1 3.36Å |
| 613 | I | 89 | Confident | 85.5 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -59.5 | -28.8 | -172.9 | -157 | 66.8 | 0 | 0 | 0 | 112.9 | A609 W610 K615 L616 T854 L856 V866 L911 | A609-I613 PolarHBondContact O-N 3.18Å; W610-I613 HydrophobicContact CE3-CB 4.22Å; W610-I613 HydrophobicContact CE3-CG1 4.11Å; W610-I613 HydrophobicContact CE3-CG2 4.23Å; W610-I613 HydrophobicContact CZ3-CG1 4.16Å; W610-I613 WeakPolarHBondContact O-CB 3.46Å; W610-I613 VanDerWaalsContact O-CG2 3.25Å; W610-I613 WeakPolarHBondContact O-CG2 3.32Å; W610-I613 PolarHBondContact O-N 3.05Å; W610-I613 VanDerWaalsContact O-N 3.1Å; I613-K615 PolarHBondContact O-N 2.89Å; I613-K615 VanDerWaalsContact O-N 3.12Å; I613-L616 HydrophobicContact CD1-CD1 3.68Å; I613-L616 HydrophobicContact CD1-CG 4.14Å; I613-L616 HydrophobicContact CG1-CD1 3.79Å; I613-L616 WeakPolarHBondContact O-CB 3.23Å; I613-L616 WeakPolarHBondContact O-CD1 3.45Å; I613-L616 VanDerWaalsContact O-CG 3.27Å; I613-L616 WeakPolarHBondContact O-CG 3.16Å; I613-L616 PolarHBondContact O-N 3.13Å; I613-T854 HydrophobicContact CG2-CG2 3.99Å; I613-L856 HydrophobicContact CD1-CD2 4.38Å; I613-L856 HydrophobicContact CG1-CB 4.44Å; I613-L856 HydrophobicContact CG1-CD2 4.25Å; I613-V866 HydrophobicContact CG2-CB 4.38Å; I613-V866 HydrophobicContact CG2-CG1 3.49Å; I613-V866 VanDerWaalsContact CG2-CG1 3.49Å; I613-V866 HydrophobicContact CG2-CG2 3.92Å; I613-L911 HydrophobicContact CD1-CD1 3.94Å |
| 614 | A | 85.6 | Confident | 86.8 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 34% | 0.339 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -62.1 | -16.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N612 T876 | N612-A614 PolarHBondContact O-N 2.98Å; N612-A614 VanDerWaalsContact O-N 3.09Å; A614-T876 HydrophobicContact CB-CG2 4.26Å; A614-T876 WeakPolarHBondContact CB-OG1 3.33Å |
| 615 | K | 87.9 | Confident | 88 | Confident | 115 Ų | 115 | 65 Ų | 65 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -94.8 | 14 | 178.2 | -59.2 | 176.3 | -178.2 | 162.2 | 0 | 113.3 | N612 I613 K617 | N612-K615 HydrophobicContact CB-CD 4.36Å; N612-K615 WeakPolarHBondContact O-CB 3.28Å; N612-K615 PolarHBondContact O-N 2.96Å; N612-K615 PolarHBondContact OD1-NZ 2.81Å; I613-K615 PolarHBondContact O-N 2.89Å; I613-K615 VanDerWaalsContact O-N 3.12Å; K615-K617 PolarHBondContact O-N 2.62Å |
| 616 | L | 91.1 | Very high | 89 | Confident | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 126.6 | 173.6 | -86.4 | 161.5 | 0 | 0 | 0 | 110.9 | I613 L856 I878 V897 W909 L911 | I613-L616 HydrophobicContact CD1-CD1 3.68Å; I613-L616 HydrophobicContact CD1-CG 4.14Å; I613-L616 HydrophobicContact CG1-CD1 3.79Å; I613-L616 WeakPolarHBondContact O-CB 3.23Å; I613-L616 WeakPolarHBondContact O-CD1 3.45Å; I613-L616 VanDerWaalsContact O-CG 3.27Å; I613-L616 WeakPolarHBondContact O-CG 3.16Å; I613-L616 PolarHBondContact O-N 3.13Å; L616-L856 HydrophobicContact CD1-CD1 4.03Å; L616-L856 HydrophobicContact CD1-CD2 3.63Å; L616-I878 HydrophobicContact CB-CD1 3.92Å; L616-I878 HydrophobicContact CD1-CD1 4.48Å; L616-V897 HydrophobicContact CD1-CG2 4.31Å; L616-V897 HydrophobicContact CD2-CB 4.36Å; L616-V897 HydrophobicContact CD2-CG2 4.01Å; L616-W909 HydrophobicContact CD2-CB 3.77Å; L616-L911 HydrophobicContact CD2-CD1 4.41Å; L616-L911 HydrophobicContact CG-CD1 4.18Å |
| 617 | K | 90.7 | Very high | 89.8 | Confident | 114 Ų | 114 | 68.8 Ų | 68.8 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 138.6 | 176.1 | -71.5 | -171.7 | 178.1 | 173.1 | 0 | 111.3 | K615 M619 W909 K910 D912 | K615-K617 PolarHBondContact O-N 2.62Å; K617-M619 PolarHBondContact O-N 3.23Å; K617-W909 CarbonylContact O-C 3.56Å; K617-W909 VanDerWaalsContact O-CA 3.28Å; K617-W909 WeakPolarHBondContact O-CA 3.41Å; K617-K910 PolarHBondContact N-O 3.43Å; K617-K910 PolarHBondContact O-N 2.68Å; K617-D912 VanDerWaalsContact CD-OD2 3.27Å; K617-D912 WeakPolarHBondContact CD-OD2 3.33Å; K617-D912 WeakPolarHBondContact CE-OD2 3.43Å; K617-D912 IonicContact NZ-OD2 2.73Å; K617-D912 PolarHBondContact NZ-OD2 3.11Å |
| 618 | L | 92.6 | Very high | 90.6 | Very high | 85 Ų | 85 | 62.4 Ų | 62.4 | 45% | 0.445 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 121.7 | 170.6 | -173.5 | 150.7 | 0 | 0 | 0 | 109.3 | I907 W909 | L618-I907 HydrophobicContact CD1-CD1 4.38Å; L618-I907 HydrophobicContact CD1-CG2 3.69Å; L618-I907 HydrophobicContact CG-CG2 3.71Å; L618-W909 HydrophobicContact CB-CE3 3.98Å; L618-W909 HydrophobicContact CB-CH2 4.35Å; L618-W909 HydrophobicContact CB-CZ3 3.73Å; L618-W909 HydrophobicContact CD1-CH2 4.1Å; L618-W909 HydrophobicContact CD1-CZ3 4.32Å; L618-W909 HydrophobicContact CG-CZ3 4.41Å |
| 619 | M | 91.3 | Very high | 91.4 | Very high | 114 Ų | 114 | 57.4 Ų | 57.4 | 56% | 0.562 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -53 | 179.2 | -72.8 | -64.4 | -40.9 | 0 | 0 | 111.7 | K617 F908 K910 | K617-M619 PolarHBondContact O-N 3.23Å; M619-F908 HydrophobicContact CB-CB 4.18Å; M619-F908 WeakPolarHBondContact CB-O 3.39Å; M619-F908 PolarHBondContact N-O 3.28Å; M619-K910 HydrophobicContact CG-CB 3.5Å; M619-K910 HydrophobicContact SD-CB 3.77Å; M619-K910 HydrophobicContact SD-CD 4.21Å |
| 620 | S | 91.3 | Very high | 92 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 156.9 | -178 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | H622 I907 F908 | S620-H622 WeakPolarHBondContact CB-NE2 3.47Å; S620-H622 PolarHBondContact OG-NE2 3.13Å; S620-I907 WeakPolarHBondContact O-CA 3.29Å; S620-F908 PolarHBondContact O-N 3.32Å; S620-F908 WeakPolarHBondContact OG-CD2 3.46Å |
| 621 | T | 94.1 | Very high | 92.3 | Very high | 57 Ų | 57 | 58 Ų | 58 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130.2 | -176.5 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | Q905 I906 I907 | T621-Q905 HydrophobicContact CG2-CB 4.31Å; T621-I906 WeakPolarHBondContact CA-O 3.21Å; T621-I907 HydrophobicContact CG2-CG1 4.03Å |
| 622 | H | 94.3 | Very high | 93 | Very high | 30 Ų | 30 | 53 Ų | 53 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 121.5 | -175 | -57.3 | -78.7 | 0 | 0 | 0 | 111.4 | S620 I624 F653 N658 Q905 I906 F908 | S620-H622 WeakPolarHBondContact CB-NE2 3.47Å; S620-H622 PolarHBondContact OG-NE2 3.13Å; H622-I624 HydrophobicContact CB-CG2 4.17Å; H622-I624 PolarHBondContact O-N 3.28Å; H622-F653 HydrophobicContact CB-CE2 4.31Å; H622-F653 AromaticContact CD2-CZ 3.73Å; H622-F653 AromaticContact CE1-CZ 3.57Å; H622-F653 AromaticContact CG-CE2 3.82Å; H622-F653 AromaticContact CG-CZ 3.79Å; H622-F653 AromaticContact ND1-CE2 3.77Å; H622-F653 AromaticContact ND1-CZ 3.7Å; H622-F653 AromaticContact NE2-CZ 3.6Å; H622-N658 PolarHBondContact CE1-OD1 3.42Å; H622-Q905 WeakPolarHBondContact O-CA 3.17Å; H622-I906 PolarHBondContact N-O 3.33Å; H622-I906 PolarHBondContact O-N 3.2Å; H622-F908 AromaticContact CD2-CD2 3.82Å; H622-F908 AromaticContact CD2-CE2 3.7Å |
| 623 | K | 94.2 | Very high | 93.4 | Very high | 141 Ų | 141 | 51.3 Ų | 51.3 | 61% | 0.613 | 26% | 0.256 | S | S | * | . | trans | -95.3 | 84.3 | 174 | -169.4 | 175.3 | -173 | 168.5 | 0 | 110.2 | K904 Q905 | K623-K904 HydrophobicContact CG-CB 4.46Å; K623-Q905 HydrophobicContact CB-CG 4.19Å; K623-Q905 HydrophobicContact CG-CG 4.3Å | ||
| 624 | I | 92.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | trans | -97.6 | -21.5 | -178.1 | 68 | 175.8 | 0 | 0 | 0 | 113.2 | H622 K651 F653 L660 I906 | H622-I624 HydrophobicContact CB-CG2 4.17Å; H622-I624 PolarHBondContact O-N 3.28Å; I624-K651 HydrophobicContact CB-CD 4.27Å; I624-K651 HydrophobicContact CD1-CB 3.91Å; I624-K651 HydrophobicContact CD1-CD 4.31Å; I624-K651 HydrophobicContact CG1-CD 4.19Å; I624-K651 WeakPolarHBondContact O-CD 3.21Å; I624-K651 PolarHBondContact O-NZ 2.81Å; I624-F653 HydrophobicContact CD1-CB 4.36Å; I624-F653 HydrophobicContact CG2-CD2 4.3Å; I624-L660 HydrophobicContact CD1-CD1 4.43Å; I624-I906 HydrophobicContact CD1-CD1 3.34Å; I624-I906 HydrophobicContact CG1-CD1 3.6Å | ||
| 625 | H | 95.5 | Very high | 93.8 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.032 | 25% | 0.246 | C | C | . | . | trans | -100.3 | 160 | -177.8 | -76.2 | -77.3 | 0 | 0 | 0 | 113.1 | E627 T643 S645 D647 T649 | H625-E627 WeakPolarHBondContact CB-O 3.43Å; H625-T643 PolarHBondContact NE2-O 3.04Å; H625-T643 PolarHBondContact NE2-OG1 3.17Å; H625-S645 VanDerWaalsContact CG-CB 3.49Å; H625-S645 WeakPolarHBondContact ND1-CB 3.48Å; H625-D647 IonicContact CG-OD2 2.69Å; H625-D647 IonicContact ND1-OD1 2.81Å; H625-D647 PolarHBondContact ND1-OD1 3.23Å; H625-D647 IonicContact ND1-OD2 3.26Å; H625-D647 PolarHBondContact ND1-OD2 3.17Å; H625-T649 PolarHBondContact CE1-O 2.79Å; H625-T649 PolarHBondContact ND1-OG1 3.47Å | ||
| 626 | K | 94.5 | Very high | 93.5 | Very high | 160 Ų | 160 | 53.4 Ų | 53.4 | 70% | 0.696 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -92.7 | -17.7 | 175 | -67.7 | -177.9 | -178.5 | 177 | 0 | 112.9 | D647 K904 | K626-D647 HydrophobicContact CB-CB 3.97Å; K626-D647 PolarHBondContact N-OD2 3.21Å; K626-K904 WeakPolarHBondContact O-CD 3.39Å; K626-K904 VanDerWaalsContact O-CE 3.29Å; K626-K904 WeakPolarHBondContact O-CE 3.41Å; K626-K904 PolarHBondContact O-NZ 3.11Å |
| 627 | E | 97 | Very high | 93 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -136.4 | -177.4 | 175.5 | -66.1 | -55.1 | 146.1 | 0 | 0 | 110.8 | H625 S645 Q646 D647 K904 | H625-E627 WeakPolarHBondContact CB-O 3.43Å; E627-S645 PolarHBondContact O-OG 3.05Å; E627-S645 VanDerWaalsContact O-OG 3.05Å; E627-Q646 HydrophobicContact CB-CB 3.87Å; E627-D647 HydrophobicContact CB-CB 4.05Å; E627-D647 HydrophobicContact CG-CB 4.18Å; E627-K904 VanDerWaalsContact CD-NZ 3.27Å; E627-K904 IonicContact OE1-NZ 3.56Å; E627-K904 PolarHBondContact OE1-NZ 3.14Å; E627-K904 IonicContact OE2-NZ 3.77Å; E627-K904 PolarHBondContact OE2-NZ 3.02Å |
| 628 | A | 96.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | trans | -52.5 | 139.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | S645 Q646 E902 | A628-S645 VanDerWaalsContact O-CA 3.23Å; A628-S645 WeakPolarHBondContact O-CA 3.39Å; A628-S645 VanDerWaalsContact O-CB 3.3Å; A628-S645 WeakPolarHBondContact O-CB 3.27Å; A628-S645 PolarHBondContact O-OG 3.04Å; A628-Q646 HydrophobicContact CB-CG 4.34Å; A628-Q646 PolarHBondContact O-N 3.33Å; A628-E902 HydrophobicContact CB-CB 4.41Å; A628-E902 HydrophobicContact CB-CG 4.15Å | ||
| 629 | V | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 138.4 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | I632 T643 T886 G901 I906 | V629-I632 HydrophobicContact CG1-CG1 4.34Å; V629-T643 HydrophobicContact CG1-CG2 4.44Å; V629-T886 VanDerWaalsContact O-CB 3.28Å; V629-T886 WeakPolarHBondContact O-CB 3.4Å; V629-T886 PolarHBondContact O-OG1 2.89Å; V629-G901 PolarHBondContact N-O 2.96Å; V629-I906 HydrophobicContact CG2-CG1 4.08Å |
| 630 | T | 96.9 | Very high | 92 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 17% | 0.166 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | -23.4 | -173.9 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | T644 S645 Q646 L671 S672 | T630-T644 PolarHBondContact N-O 2.51Å; T630-T644 VanDerWaalsContact OG1-C 3.25Å; T630-T644 PolarHBondContact OG1-O 2.93Å; T630-T644 PolarHBondContact OG1-OG1 2.85Å; T630-T644 VanDerWaalsContact OG1-OG1 3.11Å; T630-S645 PolarHBondContact OG1-N 3.2Å; T630-Q646 HydrophobicContact CG2-CG 3.66Å; T630-L671 VanDerWaalsContact CB-O 3.31Å; T630-L671 WeakPolarHBondContact CB-O 3.3Å; T630-L671 WeakPolarHBondContact CG2-O 3.44Å; T630-L671 PolarHBondContact OG1-O 2.96Å; T630-S672 WeakPolarHBondContact CB-O 3.44Å |
| 631 | G | 95.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 152.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | T643 T644 | G631-T643 VanDerWaalsContact O-CA 3.3Å; G631-T643 WeakPolarHBondContact O-CA 3.33Å; G631-T644 VanDerWaalsContact CA-OG1 3.3Å; G631-T644 WeakPolarHBondContact CA-OG1 3.39Å; G631-T644 PolarHBondContact N-OG1 2.81Å; G631-T644 VanDerWaalsContact N-OG1 3.1Å; G631-T644 PolarHBondContact O-N 3.25Å |
| 632 | I | 97.2 | Very high | 92.3 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128.2 | -179.6 | -59.3 | 166.3 | 0 | 0 | 0 | 108 | V629 V634 V641 F642 T643 A887 W889 I898 | V629-I632 HydrophobicContact CG1-CG1 4.34Å; I632-V634 HydrophobicContact CG2-CG2 4.22Å; I632-V641 HydrophobicContact CG2-CG1 4.05Å; I632-F642 WeakPolarHBondContact CA-O 3.41Å; I632-T643 HydrophobicContact CG1-CG2 4.03Å; I632-A887 HydrophobicContact CD1-CB 3.9Å; I632-A887 HydrophobicContact CG1-CB 4.03Å; I632-W889 HydrophobicContact CB-CB 4.13Å; I632-W889 HydrophobicContact CG2-CB 3.79Å; I632-W889 HydrophobicContact CG2-CG 4.39Å; I632-I898 HydrophobicContact CD1-CG2 4.16Å; I632-I898 HydrophobicContact CG2-CB 4.43Å; I632-I898 HydrophobicContact CG2-CG2 4.2Å |
| 633 | A | 94.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F642 | A633-F642 HydrophobicContact CB-CB 4.41Å; A633-F642 PolarHBondContact N-O 2.87Å; A633-F642 PolarHBondContact O-N 3.06Å |
| 634 | V | 93.4 | Very high | 92.6 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 7% | 0.073 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.1 | -174.5 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | I632 A638 V641 W889 I898 | I632-V634 HydrophobicContact CG2-CG2 4.22Å; V634-A638 HydrophobicContact CG1-CB 4.25Å; V634-V641 HydrophobicContact CG1-CG2 4.29Å; V634-V641 HydrophobicContact CG2-CG1 4.32Å; V634-V641 HydrophobicContact CG2-CG2 4.24Å; V634-W889 HydrophobicContact CB-CD2 4.16Å; V634-W889 HydrophobicContact CB-CE3 4.38Å; V634-W889 HydrophobicContact CB-CH2 3.9Å; V634-W889 HydrophobicContact CB-CZ2 3.68Å; V634-W889 HydrophobicContact CB-CZ3 4.26Å; V634-W889 HydrophobicContact CG1-CH2 3.99Å; V634-W889 HydrophobicContact CG1-CZ2 4.23Å; V634-W889 HydrophobicContact CG1-CZ3 4.33Å; V634-W889 HydrophobicContact CG2-CD2 3.5Å; V634-W889 HydrophobicContact CG2-CE3 3.64Å; V634-W889 HydrophobicContact CG2-CG 4.03Å; V634-W889 HydrophobicContact CG2-CH2 4.06Å; V634-W889 HydrophobicContact CG2-CZ2 3.97Å; V634-W889 HydrophobicContact CG2-CZ3 3.91Å; V634-I898 HydrophobicContact CG2-CD1 3.82Å |
| 635 | T | 89.7 | Confident | 92.8 | Very high | 11 Ų | 11 | 33.2 Ų | 33.2 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | trans | -66.4 | 153.5 | 173 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | T637 A638 S639 S640 F642 M676 D680 | T635-T637 PolarHBondContact O-N 3.49Å; T635-T637 VanDerWaalsContact O-N 3.15Å; T635-T637 PolarHBondContact OG1-OG1 3.1Å; T635-A638 WeakPolarHBondContact O-CA 3.5Å; T635-A638 PolarHBondContact O-N 2.86Å; T635-S639 PolarHBondContact OG1-N 3.17Å; T635-S640 PolarHBondContact N-O 3.09Å; T635-S640 VanDerWaalsContact N-O 3.1Å; T635-S640 PolarHBondContact OG1-N 2.83Å; T635-S640 PolarHBondContact OG1-O 3.12Å; T635-F642 HydrophobicContact CG2-CE2 4.03Å; T635-M676 HydrophobicContact CG2-CE 3.75Å; T635-D680 WeakPolarHBondContact CA-OD1 3.49Å; T635-D680 HydrophobicContact CG2-CB 4.31Å | ||
| 636 | R | 81.9 | Confident | 92.9 | Very high | 179 Ų | 179 | 36.9 Ų | 36.9 | 68% | 0.675 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -34.2 | -179.7 | -65.6 | -179.8 | -167.7 | 175.4 | -1.2 | 113.3 | A638 D680 | R636-A638 PolarHBondContact O-N 2.62Å; R636-D680 WeakPolarHBondContact CB-OD2 3.03Å; R636-D680 VanDerWaalsContact N-CG 3.35Å; R636-D680 PolarHBondContact N-OD1 2.9Å; R636-D680 VanDerWaalsContact N-OD1 3.08Å; R636-D680 PolarHBondContact N-OD2 2.72Å |
| 637 | T | 79.8 | Confident | 92.9 | Very high | 101 Ų | 101 | 30.6 Ų | 30.6 | 62% | 0.62 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -7.3 | 175.1 | 54.7 | 0 | 0 | 0 | 0 | 114 | T635 S639 | T635-T637 PolarHBondContact O-N 3.49Å; T635-T637 VanDerWaalsContact O-N 3.15Å; T635-T637 PolarHBondContact OG1-OG1 3.1Å; T637-S639 PolarHBondContact O-N 2.76Å; T637-S639 VanDerWaalsContact O-N 3.08Å; T637-S639 PolarHBondContact OG1-OG 3.29Å |
| 638 | A | 80.1 | Confident | 92.8 | Very high | 31 Ų | 31 | 27.4 Ų | 27.4 | 26% | 0.256 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 53.4 | 22.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | V634 T635 R636 | V634-A638 HydrophobicContact CG1-CB 4.25Å; T635-A638 WeakPolarHBondContact O-CA 3.5Å; T635-A638 PolarHBondContact O-N 2.86Å; R636-A638 PolarHBondContact O-N 2.62Å |
| 639 | S | 84.2 | Confident | 92.8 | Very high | 30 Ų | 30 | 28.1 Ų | 28.1 | 21% | 0.21 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -83.5 | -32.1 | -179.9 | 62 | 0 | 0 | 0 | 0 | 112.9 | T635 T637 R655 | T635-S639 PolarHBondContact OG1-N 3.17Å; T637-S639 PolarHBondContact O-N 2.76Å; T637-S639 VanDerWaalsContact O-N 3.08Å; T637-S639 PolarHBondContact OG1-OG 3.29Å; S639-R655 WeakPolarHBondContact O-CB 3.33Å; S639-R655 PolarHBondContact O-N 2.9Å |
| 640 | S | 90.4 | Very high | 92.7 | Very high | 22 Ų | 22 | 28.3 Ų | 28.3 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 133.8 | -179.3 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | T635 F653 | T635-S640 PolarHBondContact N-O 3.09Å; T635-S640 VanDerWaalsContact N-O 3.1Å; T635-S640 PolarHBondContact OG1-N 2.83Å; T635-S640 PolarHBondContact OG1-O 3.12Å; S640-F653 WeakPolarHBondContact CA-O 3.48Å |
| 641 | V | 94.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | I632 V634 T643 M652 F653 I898 F908 | I632-V641 HydrophobicContact CG2-CG1 4.05Å; V634-V641 HydrophobicContact CG1-CG2 4.29Å; V634-V641 HydrophobicContact CG2-CG1 4.32Å; V634-V641 HydrophobicContact CG2-CG2 4.24Å; V641-T643 HydrophobicContact CG1-CG2 4.12Å; V641-M652 CarbonylContact O-C 3.57Å; V641-M652 WeakPolarHBondContact O-CA 3.33Å; V641-F653 PolarHBondContact N-O 3.08Å; V641-F653 PolarHBondContact O-N 3.4Å; V641-I898 HydrophobicContact CG1-CD1 4.24Å; V641-I898 HydrophobicContact CG2-CD1 3.76Å; V641-F908 HydrophobicContact CB-CZ 4.45Å; V641-F908 HydrophobicContact CG2-CE1 3.8Å; V641-F908 HydrophobicContact CG2-CZ 3.91Å |
| 642 | F | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.6 | 175.8 | -68.4 | -94.4 | 0 | 0 | 0 | 109.7 | I632 A633 T635 L650 K651 M652 M676 V683 Y695 I697 | I632-F642 WeakPolarHBondContact CA-O 3.41Å; A633-F642 HydrophobicContact CB-CB 4.41Å; A633-F642 PolarHBondContact N-O 2.87Å; A633-F642 PolarHBondContact O-N 3.06Å; T635-F642 HydrophobicContact CG2-CE2 4.03Å; F642-L650 HydrophobicContact CB-CD1 4.13Å; F642-L650 HydrophobicContact CD1-CD1 4.32Å; F642-L650 HydrophobicContact CD1-CG 4.48Å; F642-K651 CarbonylContact C-O 3.57Å; F642-K651 VanDerWaalsContact CA-O 3.24Å; F642-K651 WeakPolarHBondContact CA-O 3.25Å; F642-M652 HydrophobicContact CD1-CB 3.85Å; F642-M652 HydrophobicContact CD1-CG 4Å; F642-M652 HydrophobicContact CD2-CG 4.5Å; F642-M652 HydrophobicContact CE1-CB 3.57Å; F642-M652 HydrophobicContact CE1-CG 3.47Å; F642-M652 VanDerWaalsContact CE1-CG 3.47Å; F642-M652 HydrophobicContact CE1-SD 3.66Å; F642-M652 HydrophobicContact CE2-CG 4.01Å; F642-M652 HydrophobicContact CE2-SD 4.21Å; F642-M652 HydrophobicContact CG-CG 4.5Å; F642-M652 HydrophobicContact CZ-CB 4.14Å; F642-M652 HydrophobicContact CZ-CG 3.47Å; F642-M652 VanDerWaalsContact CZ-CG 3.47Å; F642-M652 HydrophobicContact CZ-SD 3.34Å; F642-M652 WeakPolarHBondContact CZ-SD 3.37Å; F642-M676 HydrophobicContact CD2-CE 3.53Å; F642-M676 HydrophobicContact CE2-CE 3.71Å; F642-M676 HydrophobicContact CG-CE 4.5Å; F642-V683 HydrophobicContact CB-CG1 4.32Å; F642-V683 HydrophobicContact CB-CG2 4.3Å; F642-V683 HydrophobicContact CD1-CG2 3.8Å; F642-V683 HydrophobicContact CD2-CG2 3.79Å; F642-V683 HydrophobicContact CE1-CG2 3.96Å; F642-V683 HydrophobicContact CE2-CG2 3.97Å; F642-V683 HydrophobicContact CG-CG2 3.69Å; F642-V683 HydrophobicContact CZ-CG2 4.04Å; F642-Y695 HydrophobicContact CE1-CE1 4.29Å; F642-I697 HydrophobicContact CE1-CG1 4.24Å; F642-I697 HydrophobicContact CE2-CD1 3.78Å; F642-I697 HydrophobicContact CE2-CG1 4.28Å; F642-I697 HydrophobicContact CZ-CD1 3.66Å; F642-I697 HydrophobicContact CZ-CG1 3.63Å; F642-I697 HydrophobicContact CZ-CG2 4.23Å |
| 643 | T | 97.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.9 | 179.1 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | H625 V629 G631 I632 V641 L650 K651 I906 | H625-T643 PolarHBondContact NE2-O 3.04Å; H625-T643 PolarHBondContact NE2-OG1 3.17Å; V629-T643 HydrophobicContact CG1-CG2 4.44Å; G631-T643 VanDerWaalsContact O-CA 3.3Å; G631-T643 WeakPolarHBondContact O-CA 3.33Å; I632-T643 HydrophobicContact CG1-CG2 4.03Å; V641-T643 HydrophobicContact CG1-CG2 4.12Å; T643-L650 CarbonylContact O-C 3.58Å; T643-L650 WeakPolarHBondContact O-CA 3.48Å; T643-K651 PolarHBondContact N-O 2.81Å; T643-K651 PolarHBondContact O-N 3.22Å; T643-I906 HydrophobicContact CG2-CD1 3.41Å; T643-I906 VanDerWaalsContact CG2-CD1 3.41Å; T643-I906 HydrophobicContact CG2-CG1 4.09Å |
| 644 | T | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 154.2 | 171.6 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | T630 G631 L650 L671 C674 C685 | T630-T644 PolarHBondContact N-O 2.51Å; T630-T644 VanDerWaalsContact OG1-C 3.25Å; T630-T644 PolarHBondContact OG1-O 2.93Å; T630-T644 PolarHBondContact OG1-OG1 2.85Å; T630-T644 VanDerWaalsContact OG1-OG1 3.11Å; G631-T644 VanDerWaalsContact CA-OG1 3.3Å; G631-T644 WeakPolarHBondContact CA-OG1 3.39Å; G631-T644 PolarHBondContact N-OG1 2.81Å; G631-T644 VanDerWaalsContact N-OG1 3.1Å; G631-T644 PolarHBondContact O-N 3.25Å; T644-L650 HydrophobicContact CG2-CD1 3.91Å; T644-L671 HydrophobicContact CG2-CB 3.88Å; T644-L671 HydrophobicContact CG2-CD1 3.8Å; T644-C674 HydrophobicContact CG2-CB 3.58Å; T644-C685 HydrophobicContact CG2-CB 4.16Å |
| 645 | S | 97.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 161.7 | -178.7 | 173.8 | 0 | 0 | 0 | 0 | 112.3 | H625 E627 A628 T630 D647 S648 T649 L671 | H625-S645 VanDerWaalsContact CG-CB 3.49Å; H625-S645 WeakPolarHBondContact ND1-CB 3.48Å; E627-S645 PolarHBondContact O-OG 3.05Å; E627-S645 VanDerWaalsContact O-OG 3.05Å; A628-S645 VanDerWaalsContact O-CA 3.23Å; A628-S645 WeakPolarHBondContact O-CA 3.39Å; A628-S645 VanDerWaalsContact O-CB 3.3Å; A628-S645 WeakPolarHBondContact O-CB 3.27Å; A628-S645 PolarHBondContact O-OG 3.04Å; T630-S645 PolarHBondContact OG1-N 3.2Å; S645-D647 VanDerWaalsContact CB-OD1 3.3Å; S645-D647 WeakPolarHBondContact CB-OD1 3.33Å; S645-D647 PolarHBondContact O-N 2.92Å; S645-D647 PolarHBondContact OG-N 2.89Å; S645-D647 PolarHBondContact OG-OD1 3.24Å; S645-S648 PolarHBondContact O-N 2.8Å; S645-T649 PolarHBondContact N-O 2.91Å; S645-L671 PolarHBondContact O-N 2.89Å; S645-L671 VanDerWaalsContact O-N 3.15Å |
| 646 | Q | 96.7 | Very high | 91 | Very high | 84 Ų | 84 | 41.3 Ų | 41.3 | 39% | 0.393 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12.2 | 169.6 | -63.5 | -176.6 | 7.5 | 0 | 0 | 113.6 | E627 A628 T630 S648 A670 | E627-Q646 HydrophobicContact CB-CB 3.87Å; A628-Q646 HydrophobicContact CB-CG 4.34Å; A628-Q646 PolarHBondContact O-N 3.33Å; T630-Q646 HydrophobicContact CG2-CG 3.66Å; Q646-S648 PolarHBondContact O-N 3.18Å; Q646-S648 VanDerWaalsContact O-N 3.14Å; Q646-A670 HydrophobicContact CB-CB 4.06Å; Q646-A670 HydrophobicContact CG-CB 4.16Å |
| 647 | D | 95.8 | Very high | 90.9 | Very high | 27 Ų | 27 | 35.6 Ų | 35.6 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 12.7 | 173.5 | 72.4 | 7.1 | 0 | 0 | 0 | 114.2 | H625 K626 E627 S645 T649 | H625-D647 IonicContact CG-OD2 2.69Å; H625-D647 IonicContact ND1-OD1 2.81Å; H625-D647 PolarHBondContact ND1-OD1 3.23Å; H625-D647 IonicContact ND1-OD2 3.26Å; H625-D647 PolarHBondContact ND1-OD2 3.17Å; K626-D647 HydrophobicContact CB-CB 3.97Å; K626-D647 PolarHBondContact N-OD2 3.21Å; E627-D647 HydrophobicContact CB-CB 4.05Å; E627-D647 HydrophobicContact CG-CB 4.18Å; S645-D647 VanDerWaalsContact CB-OD1 3.3Å; S645-D647 WeakPolarHBondContact CB-OD1 3.33Å; S645-D647 PolarHBondContact O-N 2.92Å; S645-D647 PolarHBondContact OG-N 2.89Å; S645-D647 PolarHBondContact OG-OD1 3.24Å; D647-T649 VanDerWaalsContact CG-OG1 3.31Å; D647-T649 PolarHBondContact O-N 2.9Å; D647-T649 WeakPolarHBondContact OD1-CB 3.5Å; D647-T649 PolarHBondContact OD1-N 3.27Å; D647-T649 PolarHBondContact OD1-OG1 3.21Å; D647-T649 PolarHBondContact OD2-OG1 2.86Å |
| 648 | S | 94.8 | Very high | 91 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 63.8 | 15.4 | -176.9 | 87.3 | 0 | 0 | 0 | 0 | 116.2 | S645 Q646 S665 S667 M669 | S645-S648 PolarHBondContact O-N 2.8Å; Q646-S648 PolarHBondContact O-N 3.18Å; Q646-S648 VanDerWaalsContact O-N 3.14Å; S648-S665 WeakPolarHBondContact O-CA 3.43Å; S648-S665 PolarHBondContact O-OG 2.79Å; S648-S665 PolarHBondContact OG-OG 2.85Å; S648-S665 VanDerWaalsContact OG-OG 3.11Å; S648-S667 WeakPolarHBondContact CB-O 3.32Å; S648-S667 PolarHBondContact OG-O 3.17Å; S648-M669 WeakPolarHBondContact CA-O 3.42Å; S648-M669 WeakPolarHBondContact CB-O 3.24Å |
| 649 | T | 96.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.7 | -177.4 | 72.6 | 0 | 0 | 0 | 0 | 114.5 | H625 S645 D647 K651 M664 | H625-T649 PolarHBondContact CE1-O 2.79Å; H625-T649 PolarHBondContact ND1-OG1 3.47Å; S645-T649 PolarHBondContact N-O 2.91Å; D647-T649 VanDerWaalsContact CG-OG1 3.31Å; D647-T649 PolarHBondContact O-N 2.9Å; D647-T649 WeakPolarHBondContact OD1-CB 3.5Å; D647-T649 PolarHBondContact OD1-N 3.27Å; D647-T649 PolarHBondContact OD1-OG1 3.21Å; D647-T649 PolarHBondContact OD2-OG1 2.86Å; T649-K651 WeakPolarHBondContact OG1-CE 3.39Å; T649-M664 CarbonylContact C-O 3.52Å; T649-M664 VanDerWaalsContact CA-O 3.24Å; T649-M664 WeakPolarHBondContact CA-O 3.44Å |
| 650 | L | 96.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.2 | 160.9 | 173.8 | 69.7 | 0 | 0 | 0 | 108.4 | F642 T643 T644 S663 M664 F666 L671 V683 Y695 | F642-L650 HydrophobicContact CB-CD1 4.13Å; F642-L650 HydrophobicContact CD1-CD1 4.32Å; F642-L650 HydrophobicContact CD1-CG 4.48Å; T643-L650 CarbonylContact O-C 3.58Å; T643-L650 WeakPolarHBondContact O-CA 3.48Å; T644-L650 HydrophobicContact CG2-CD1 3.91Å; L650-S663 WeakPolarHBondContact O-CA 3.27Å; L650-M664 PolarHBondContact N-O 2.7Å; L650-M664 PolarHBondContact O-N 2.86Å; L650-F666 HydrophobicContact CB-CE2 3.74Å; L650-F666 HydrophobicContact CB-CZ 4.39Å; L650-F666 HydrophobicContact CD2-CE2 4.01Å; L650-F666 HydrophobicContact CD2-CZ 3.96Å; L650-L671 HydrophobicContact CB-CD1 4.14Å; L650-V683 HydrophobicContact CD1-CG1 4.26Å; L650-V683 HydrophobicContact CD2-CG1 4.41Å; L650-Y695 HydrophobicContact CD2-CD1 3.96Å; L650-Y695 HydrophobicContact CD2-CD2 4.43Å; L650-Y695 HydrophobicContact CD2-CG 3.86Å |
| 651 | K | 95 | Very high | 91.3 | Very high | 19 Ų | 19 | 41.7 Ų | 41.7 | 8% | 0.083 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140.5 | 177.8 | -70.2 | -171.8 | -169.7 | -170.9 | 0 | 111.6 | I624 F642 T643 T649 L660 R662 S663 | I624-K651 HydrophobicContact CB-CD 4.27Å; I624-K651 HydrophobicContact CD1-CB 3.91Å; I624-K651 HydrophobicContact CD1-CD 4.31Å; I624-K651 HydrophobicContact CG1-CD 4.19Å; I624-K651 WeakPolarHBondContact O-CD 3.21Å; I624-K651 PolarHBondContact O-NZ 2.81Å; F642-K651 CarbonylContact C-O 3.57Å; F642-K651 VanDerWaalsContact CA-O 3.24Å; F642-K651 WeakPolarHBondContact CA-O 3.25Å; T643-K651 PolarHBondContact N-O 2.81Å; T643-K651 PolarHBondContact O-N 3.22Å; T649-K651 WeakPolarHBondContact OG1-CE 3.39Å; K651-L660 HydrophobicContact CB-CD1 3.66Å; K651-L660 HydrophobicContact CD-CD1 3.88Å; K651-L660 HydrophobicContact CD-CD2 4.28Å; K651-L660 HydrophobicContact CG-CD1 3.94Å; K651-R662 CarbonylContact C-O 3.59Å; K651-R662 WeakPolarHBondContact CA-O 3.28Å; K651-S663 WeakPolarHBondContact CE-OG 3.35Å |
| 652 | M | 93.9 | Very high | 90.9 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 114.5 | 173.3 | -171.6 | -177.5 | 85.5 | 0 | 0 | 109.1 | V641 F642 Q661 R662 | V641-M652 CarbonylContact O-C 3.57Å; V641-M652 WeakPolarHBondContact O-CA 3.33Å; F642-M652 HydrophobicContact CD1-CB 3.85Å; F642-M652 HydrophobicContact CD1-CG 4Å; F642-M652 HydrophobicContact CD2-CG 4.5Å; F642-M652 HydrophobicContact CE1-CB 3.57Å; F642-M652 HydrophobicContact CE1-CG 3.47Å; F642-M652 VanDerWaalsContact CE1-CG 3.47Å; F642-M652 HydrophobicContact CE1-SD 3.66Å; F642-M652 HydrophobicContact CE2-CG 4.01Å; F642-M652 HydrophobicContact CE2-SD 4.21Å; F642-M652 HydrophobicContact CG-CG 4.5Å; F642-M652 HydrophobicContact CZ-CB 4.14Å; F642-M652 HydrophobicContact CZ-CG 3.47Å; F642-M652 VanDerWaalsContact CZ-CG 3.47Å; F642-M652 HydrophobicContact CZ-SD 3.34Å; F642-M652 WeakPolarHBondContact CZ-SD 3.37Å; M652-Q661 HydrophobicContact CE-CB 3.34Å; M652-Q661 HydrophobicContact CE-CG 4.06Å; M652-Q661 PolarHBondContact O-N 3.34Å; M652-R662 HydrophobicContact CB-CB 3.97Å; M652-R662 HydrophobicContact CE-CG 3.99Å; M652-R662 PolarHBondContact N-O 2.93Å; M652-R662 PolarHBondContact O-N 3.43Å |
| 653 | F | 92.6 | Very high | 90.7 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.6 | 173 | -175.3 | -92.1 | 0 | 0 | 0 | 109.5 | H622 I624 S640 V641 F908 | H622-F653 HydrophobicContact CB-CE2 4.31Å; H622-F653 AromaticContact CD2-CZ 3.73Å; H622-F653 AromaticContact CE1-CZ 3.57Å; H622-F653 AromaticContact CG-CE2 3.82Å; H622-F653 AromaticContact CG-CZ 3.79Å; H622-F653 AromaticContact ND1-CE2 3.77Å; H622-F653 AromaticContact ND1-CZ 3.7Å; H622-F653 AromaticContact NE2-CZ 3.6Å; I624-F653 HydrophobicContact CD1-CB 4.36Å; I624-F653 HydrophobicContact CG2-CD2 4.3Å; S640-F653 WeakPolarHBondContact CA-O 3.48Å; V641-F653 PolarHBondContact N-O 3.08Å; V641-F653 PolarHBondContact O-N 3.4Å; F653-F908 HydrophobicContact CD1-CE2 4.24Å; F653-F908 AromaticContact CD1-CZ 3.91Å; F653-F908 HydrophobicContact CD1-CZ 3.91Å; F653-F908 HydrophobicContact CE1-CE2 4.08Å; F653-F908 HydrophobicContact CE1-CZ 4.05Å |
| 654 | S | 88.5 | Confident | 90.3 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.8 | 175.5 | 157.6 | 0 | 0 | 0 | 0 | 109.4 | E656 S657 N658 G659 | S654-E656 VanDerWaalsContact C-N 3.34Å; S654-E656 PolarHBondContact OG-N 3.36Å; S654-S657 WeakPolarHBondContact CB-OG 3.33Å; S654-S657 PolarHBondContact OG-N 3.01Å; S654-S657 PolarHBondContact OG-OG 2.91Å; S654-N658 WeakPolarHBondContact O-CA 3.12Å; S654-N658 PolarHBondContact O-N 3.36Å; S654-G659 PolarHBondContact N-O 3Å; S654-G659 PolarHBondContact O-N 2.96Å |
| 655 | R | 79.8 | Confident | 90 | Very high | 125 Ų | 125 | 54.3 Ų | 54.3 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -33.2 | 178.7 | -168.7 | 176.4 | 172.9 | -168.8 | 0.8 | 112 | S639 | S639-R655 WeakPolarHBondContact O-CB 3.33Å; S639-R655 PolarHBondContact O-N 2.9Å |
| 656 | E | 81 | Confident | 89.4 | Confident | 168 Ų | 168 | 55.2 Ų | 55.2 | 79% | 0.785 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -45.9 | 178.8 | -65.2 | 174.7 | -175.7 | 0 | 0 | 112.3 | S654 N658 | S654-E656 VanDerWaalsContact C-N 3.34Å; S654-E656 PolarHBondContact OG-N 3.36Å; E656-N658 VanDerWaalsContact C-N 3.3Å |
| 657 | S | 79.8 | Confident | 89 | Confident | 59 Ų | 59 | 52.2 Ų | 52.2 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5.1 | 178.6 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | S654 G659 Q661 | S654-S657 WeakPolarHBondContact CB-OG 3.33Å; S654-S657 PolarHBondContact OG-N 3.01Å; S654-S657 PolarHBondContact OG-OG 2.91Å; S657-G659 PolarHBondContact O-N 2.91Å; S657-Q661 PolarHBondContact OG-NE2 3.01Å |
| 658 | N | 83.3 | Confident | 88.7 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 44.8 | -177 | -165.8 | 30.6 | 0 | 0 | 0 | 112.9 | H622 S654 E656 | H622-N658 PolarHBondContact CE1-OD1 3.42Å; S654-N658 WeakPolarHBondContact O-CA 3.12Å; S654-N658 PolarHBondContact O-N 3.36Å; E656-N658 VanDerWaalsContact C-N 3.3Å |
| 659 | G | 84.6 | Confident | 88.8 | Confident | 21 Ų | 21 | 63 Ų | 63 | 22% | 0.216 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 162 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S654 S657 Q661 | S654-G659 PolarHBondContact N-O 3Å; S654-G659 PolarHBondContact O-N 2.96Å; S657-G659 PolarHBondContact O-N 2.91Å; G659-Q661 PolarHBondContact O-N 2.98Å |
| 660 | L | 89.7 | Confident | 88.8 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 121.6 | 172.5 | 179 | 68.5 | 0 | 0 | 0 | 109.6 | I624 K651 R662 | I624-L660 HydrophobicContact CD1-CD1 4.43Å; K651-L660 HydrophobicContact CB-CD1 3.66Å; K651-L660 HydrophobicContact CD-CD1 3.88Å; K651-L660 HydrophobicContact CD-CD2 4.28Å; K651-L660 HydrophobicContact CG-CD1 3.94Å; L660-R662 VanDerWaalsContact CD1-O 3.32Å; L660-R662 WeakPolarHBondContact CD1-O 3.39Å |
| 661 | Q | 86.6 | Confident | 88.9 | Confident | 107 Ų | 107 | 62.1 Ų | 62.1 | 50% | 0.5 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -40.9 | -179.5 | -73.8 | -67.9 | -29.4 | 0 | 0 | 112.2 | M652 S657 G659 | M652-Q661 HydrophobicContact CE-CB 3.34Å; M652-Q661 HydrophobicContact CE-CG 4.06Å; M652-Q661 PolarHBondContact O-N 3.34Å; S657-Q661 PolarHBondContact OG-NE2 3.01Å; G659-Q661 PolarHBondContact O-N 2.98Å |
| 662 | R | 86.1 | Confident | 88.9 | Confident | 83 Ų | 83 | 61.8 Ų | 61.8 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.1 | -177.8 | -60.5 | -176.9 | -177.8 | 172.9 | -0.5 | 111.4 | K651 M652 L660 Y695 I697 | K651-R662 CarbonylContact C-O 3.59Å; K651-R662 WeakPolarHBondContact CA-O 3.28Å; M652-R662 HydrophobicContact CB-CB 3.97Å; M652-R662 HydrophobicContact CE-CG 3.99Å; M652-R662 PolarHBondContact N-O 2.93Å; M652-R662 PolarHBondContact O-N 3.43Å; L660-R662 VanDerWaalsContact CD1-O 3.32Å; L660-R662 WeakPolarHBondContact CD1-O 3.39Å; R662-Y695 VanDerWaalsContact CD-OH 3.31Å; R662-Y695 WeakPolarHBondContact CD-OH 3.47Å; R662-I697 PolarHBondContact NH1-O 3.07Å; R662-I697 PolarHBondContact NH2-O 2.64Å |
| 663 | S | 91.3 | Very high | 89 | Confident | 68 Ų | 68 | 61.4 Ų | 61.4 | 48% | 0.476 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 126.9 | 174 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | L650 K651 | L650-S663 WeakPolarHBondContact O-CA 3.27Å; K651-S663 WeakPolarHBondContact CE-OG 3.35Å |
| 664 | M | 89.6 | Confident | 89.1 | Confident | 62 Ų | 62 | 61.5 Ų | 61.5 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.5 | -179.3 | -173.2 | 66.4 | -170.5 | 0 | 0 | 109.2 | T649 L650 F666 Y695 | T649-M664 CarbonylContact C-O 3.52Å; T649-M664 VanDerWaalsContact CA-O 3.24Å; T649-M664 WeakPolarHBondContact CA-O 3.44Å; L650-M664 PolarHBondContact N-O 2.7Å; L650-M664 PolarHBondContact O-N 2.86Å; M664-F666 HydrophobicContact CB-CZ 4.33Å; M664-F666 HydrophobicContact CE-CD1 4.49Å; M664-F666 HydrophobicContact CE-CE1 4.47Å; M664-F666 HydrophobicContact CG-CD1 4.24Å; M664-F666 HydrophobicContact CG-CE1 3.72Å; M664-F666 HydrophobicContact CG-CE2 4.41Å; M664-F666 HydrophobicContact CG-CZ 3.8Å; M664-Y695 HydrophobicContact CB-CE2 4.13Å; M664-Y695 HydrophobicContact CG-CD2 4.26Å; M664-Y695 HydrophobicContact CG-CE2 4.08Å |
| 665 | S | 90 | Very high | 89.4 | Confident | 55 Ų | 55 | 62 Ų | 62 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.8 | 168.8 | -178 | 0 | 0 | 0 | 0 | 108.5 | S648 S667 | S648-S665 WeakPolarHBondContact O-CA 3.43Å; S648-S665 PolarHBondContact O-OG 2.79Å; S648-S665 PolarHBondContact OG-OG 2.85Å; S648-S665 VanDerWaalsContact OG-OG 3.11Å; S665-S667 PolarHBondContact OG-O 2.59Å |
| 666 | F | 86.6 | Confident | 90 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 9% | 0.088 | 31% | 0.312 | C | S | . | . | trans | -101.5 | -29.6 | -179.5 | -58.2 | -73.5 | 0 | 0 | 0 | 112.4 | L650 M664 L671 C685 Y693 Y695 R702 | L650-F666 HydrophobicContact CB-CE2 3.74Å; L650-F666 HydrophobicContact CB-CZ 4.39Å; L650-F666 HydrophobicContact CD2-CE2 4.01Å; L650-F666 HydrophobicContact CD2-CZ 3.96Å; M664-F666 HydrophobicContact CB-CZ 4.33Å; M664-F666 HydrophobicContact CE-CD1 4.49Å; M664-F666 HydrophobicContact CE-CE1 4.47Å; M664-F666 HydrophobicContact CG-CD1 4.24Å; M664-F666 HydrophobicContact CG-CE1 3.72Å; M664-F666 HydrophobicContact CG-CE2 4.41Å; M664-F666 HydrophobicContact CG-CZ 3.8Å; F666-L671 HydrophobicContact CD2-CD1 4.02Å; F666-L671 HydrophobicContact CD2-CD2 4.25Å; F666-L671 HydrophobicContact CE2-CD1 4.29Å; F666-C685 HydrophobicContact CE2-CB 4.4Å; F666-Y693 HydrophobicContact CB-CD1 3.93Å; F666-Y693 HydrophobicContact CB-CD2 3.41Å; F666-Y693 VanDerWaalsContact CB-CD2 3.41Å; F666-Y693 HydrophobicContact CB-CE1 3.98Å; F666-Y693 HydrophobicContact CB-CE2 3.44Å; F666-Y693 VanDerWaalsContact CB-CE2 3.44Å; F666-Y693 HydrophobicContact CB-CG 3.65Å; F666-Y693 HydrophobicContact CD1-CD1 4.22Å; F666-Y693 HydrophobicContact CD1-CD2 4.47Å; F666-Y693 AromaticContact CD1-CG 3.95Å; F666-Y693 HydrophobicContact CD1-CG 3.95Å; F666-Y693 AromaticContact CD2-CD2 3.99Å; F666-Y693 HydrophobicContact CD2-CD2 3.99Å; F666-Y693 HydrophobicContact CD2-CG 4.17Å; F666-Y693 HydrophobicContact CG-CD1 4.2Å; F666-Y693 AromaticContact CG-CD2 3.72Å; F666-Y693 HydrophobicContact CG-CD2 3.72Å; F666-Y693 HydrophobicContact CG-CE2 4.27Å; F666-Y693 AromaticContact CG-CG 3.66Å; F666-Y693 HydrophobicContact CG-CG 3.66Å; F666-Y695 HydrophobicContact CE1-CD2 4.14Å; F666-Y695 AromaticContact CZ-CD2 3.91Å; F666-Y695 HydrophobicContact CZ-CD2 3.91Å; F666-Y695 HydrophobicContact CZ-CG 4.24Å; F666-R702 HydrophobicContact CD1-CB 4.24Å; F666-R702 HydrophobicContact CD1-CG 4.19Å; F666-R702 HydrophobicContact CE1-CB 4.03Å; F666-R702 HydrophobicContact CE1-CG 4.22Å | ||
| 667 | S | 88.4 | Confident | 90.3 | Very high | 21 Ų | 21 | 50.1 Ų | 50.1 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | trans | -155.5 | -176.5 | -178.4 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | S648 S665 M669 D689 | S648-S667 WeakPolarHBondContact CB-O 3.32Å; S648-S667 PolarHBondContact OG-O 3.17Å; S665-S667 PolarHBondContact OG-O 2.59Å; S667-M669 PolarHBondContact OG-N 3.36Å; S667-D689 WeakPolarHBondContact CB-OD2 3.28Å; S667-D689 PolarHBondContact OG-OD2 2.92Å | ||
| 668 | N | 89.3 | Confident | 90 | Very high | 166 Ų | 166 | 50.2 Ų | 50.2 | 89% | 0.888 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -93.4 | 4.5 | 175.9 | -62.5 | -18.5 | 0 | 0 | 0 | 112.8 | ||
| 669 | M | 95.7 | Very high | 89.7 | Confident | 104 Ų | 104 | 50.7 Ų | 50.7 | 51% | 0.512 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -104.5 | 157.6 | 179.4 | -73.8 | -69.3 | 177.6 | 0 | 0 | 110.9 | S648 S667 W688 D689 | S648-M669 WeakPolarHBondContact CA-O 3.42Å; S648-M669 WeakPolarHBondContact CB-O 3.24Å; S667-M669 PolarHBondContact OG-N 3.36Å; M669-W688 HydrophobicContact CB-CB 4.29Å; M669-D689 HydrophobicContact CB-CB 4.01Å; M669-D689 HydrophobicContact CG-CB 4.01Å |
| 670 | A | 96.8 | Very high | 89.5 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 7% | 0.066 | 27% | 0.273 | C | S | . | . | trans | -60.7 | 140.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q646 S687 W688 | Q646-A670 HydrophobicContact CB-CB 4.06Å; Q646-A670 HydrophobicContact CG-CB 4.16Å; A670-S687 WeakPolarHBondContact O-CA 3.07Å; A670-S687 PolarHBondContact O-OG 2.88Å; A670-W688 HydrophobicContact CB-CD2 3.64Å; A670-W688 HydrophobicContact CB-CE3 3.57Å; A670-W688 HydrophobicContact CB-CG 4.19Å; A670-W688 HydrophobicContact CB-CH2 4.14Å; A670-W688 HydrophobicContact CB-CZ2 4.22Å; A670-W688 HydrophobicContact CB-CZ3 3.83Å; A670-W688 PolarHBondContact O-N 3.15Å | ||
| 671 | L | 97.6 | Very high | 89 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.4 | 167.6 | -60.2 | -176.2 | 0 | 0 | 0 | 108.8 | T630 T644 S645 L650 F666 C685 S686 Y693 | T630-L671 VanDerWaalsContact CB-O 3.31Å; T630-L671 WeakPolarHBondContact CB-O 3.3Å; T630-L671 WeakPolarHBondContact CG2-O 3.44Å; T630-L671 PolarHBondContact OG1-O 2.96Å; T644-L671 HydrophobicContact CG2-CB 3.88Å; T644-L671 HydrophobicContact CG2-CD1 3.8Å; S645-L671 PolarHBondContact O-N 2.89Å; S645-L671 VanDerWaalsContact O-N 3.15Å; L650-L671 HydrophobicContact CB-CD1 4.14Å; F666-L671 HydrophobicContact CD2-CD1 4.02Å; F666-L671 HydrophobicContact CD2-CD2 4.25Å; F666-L671 HydrophobicContact CE2-CD1 4.29Å; L671-C685 HydrophobicContact CD1-CB 4.5Å; L671-S686 CarbonylContact C-O 3.52Å; L671-S686 WeakPolarHBondContact CA-O 3.43Å; L671-Y693 HydrophobicContact CD2-CD2 4.4Å |
| 672 | S | 95.8 | Very high | 89 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -39.2 | -171.4 | 52.9 | 0 | 0 | 0 | 0 | 114.5 | T630 S686 I713 | T630-S672 WeakPolarHBondContact CB-O 3.44Å; S672-S686 PolarHBondContact N-O 2.88Å; S672-S686 VanDerWaalsContact OG-CB 3.26Å; S672-S686 WeakPolarHBondContact OG-CB 3.46Å; S672-S686 PolarHBondContact OG-O 2.83Å; S672-S686 PolarHBondContact OG-OG 2.88Å; S672-I713 WeakPolarHBondContact CB-O 3.48Å; S672-I713 PolarHBondContact OG-O 2.83Å |
| 673 | S | 95.4 | Very high | 89.4 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 158.7 | -179.2 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | C685 S686 | S673-C685 WeakPolarHBondContact O-CA 3.41Å; S673-S686 WeakPolarHBondContact CB-OG 3Å; S673-S686 PolarHBondContact N-OG 2.82Å; S673-S686 PolarHBondContact O-N 3.44Å; S673-S686 PolarHBondContact O-OG 3.14Å |
| 674 | C | 96.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.054 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 153.2 | 168 | 57 | 0 | 0 | 0 | 0 | 112.7 | T644 V683 V684 | T644-C674 HydrophobicContact CG2-CB 3.58Å; C674-V683 HydrophobicContact CB-CG1 4.16Å; C674-V684 CarbonylContact C-O 3.55Å; C674-V684 WeakPolarHBondContact CA-O 3.42Å; C674-V684 WeakPolarHBondContact CB-O 3.23Å |
| 675 | L | 94.7 | Very high | 89.8 | Confident | 24 Ų | 24 | 36.3 Ų | 36.3 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.3 | 175.5 | 61.7 | 81.4 | 0 | 0 | 0 | 111.1 | L677 V684 M716 W718 L723 | L675-L677 HydrophobicContact CD1-CD2 4.1Å; L675-V684 HydrophobicContact CD1-CB 3.92Å; L675-V684 HydrophobicContact CD1-CG2 3.96Å; L675-V684 HydrophobicContact CG-CB 4.23Å; L675-V684 PolarHBondContact N-O 3.05Å; L675-V684 PolarHBondContact O-N 2.88Å; L675-M716 HydrophobicContact CD2-CB 3.92Å; L675-W718 HydrophobicContact CD1-CB 3.66Å; L675-W718 HydrophobicContact CD1-CG 4.31Å; L675-W718 HydrophobicContact CD2-CB 3.86Å; L675-W718 HydrophobicContact CG-CB 4.42Å; L675-L723 HydrophobicContact CD2-CD1 4.42Å |
| 676 | M | 91.6 | Very high | 90.1 | Very high | 35 Ų | 35 | 33.7 Ų | 33.7 | 17% | 0.172 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 131.8 | 177.5 | -168.6 | 61.1 | 66.1 | 0 | 0 | 110 | T635 F642 D680 V683 I697 | T635-M676 HydrophobicContact CG2-CE 3.75Å; F642-M676 HydrophobicContact CD2-CE 3.53Å; F642-M676 HydrophobicContact CE2-CE 3.71Å; F642-M676 HydrophobicContact CG-CE 4.5Å; M676-D680 WeakPolarHBondContact CG-OD1 3.37Å; M676-V683 HydrophobicContact CE-CG2 3.59Å; M676-V683 HydrophobicContact SD-CG2 3.76Å; M676-I697 HydrophobicContact CE-CD1 4.05Å; M676-I697 HydrophobicContact SD-CD1 3.67Å |
| 677 | L | 86.4 | Confident | 90.6 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -77.2 | 157.8 | 170.8 | -69.1 | -175.5 | 0 | 0 | 0 | 111.3 | L675 D680 A682 V684 F694 W718 I742 | L675-L677 HydrophobicContact CD1-CD2 4.1Å; L677-D680 PolarHBondContact O-N 2.66Å; L677-A682 HydrophobicContact CD1-CB 3.99Å; L677-A682 PolarHBondContact N-O 3.11Å; L677-V684 HydrophobicContact CD1-CG2 3.82Å; L677-V684 HydrophobicContact CD2-CG2 3.67Å; L677-V684 HydrophobicContact CG-CG2 3.59Å; L677-F694 HydrophobicContact CD1-CD1 4.31Å; L677-W718 HydrophobicContact CD2-CD2 3.4Å; L677-W718 VanDerWaalsContact CD2-CD2 3.4Å; L677-W718 VanDerWaalsContact CD2-CE2 3.48Å; L677-W718 HydrophobicContact CD2-CE3 3.62Å; L677-W718 HydrophobicContact CD2-CG 3.91Å; L677-W718 HydrophobicContact CD2-CH2 3.97Å; L677-W718 HydrophobicContact CD2-CZ2 3.76Å; L677-W718 HydrophobicContact CD2-CZ3 3.9Å; L677-I742 HydrophobicContact CD1-CG2 4.24Å |
| 678 | P | 75.1 | Confident | 91.1 | Very high | 60 Ų | 60 | 36 Ų | 36 | 39% | 0.39 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -50.3 | 143.9 | 172 | -26 | 34.6 | 0 | 0 | 0 | 112.1 | ||
| 679 | E | 76.5 | Confident | 91.4 | Very high | 112 Ų | 112 | 29.6 Ų | 29.6 | 52% | 0.523 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | 73.1 | 10.3 | -178.5 | -46.6 | -175.2 | 162.8 | 0 | 0 | 117 | K681 | E679-K681 HydrophobicContact CB-CD 4.24Å; E679-K681 HydrophobicContact CB-CG 4.28Å; E679-K681 PolarHBondContact O-N 2.82Å; E679-K681 VanDerWaalsContact OE2-CE 3.24Å; E679-K681 WeakPolarHBondContact OE2-CE 3.36Å; E679-K681 IonicContact OE2-NZ 3.35Å; E679-K681 PolarHBondContact OE2-NZ 2.85Å |
| 680 | D | 79.3 | Confident | 91.4 | Very high | 34 Ų | 34 | 26.3 Ų | 26.3 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | 56.4 | 23.7 | 176.9 | -62.9 | -26.4 | 0 | 0 | 0 | 114.2 | T635 R636 M676 L677 I697 | T635-D680 WeakPolarHBondContact CA-OD1 3.49Å; T635-D680 HydrophobicContact CG2-CB 4.31Å; R636-D680 WeakPolarHBondContact CB-OD2 3.03Å; R636-D680 VanDerWaalsContact N-CG 3.35Å; R636-D680 PolarHBondContact N-OD1 2.9Å; R636-D680 VanDerWaalsContact N-OD1 3.08Å; R636-D680 PolarHBondContact N-OD2 2.72Å; M676-D680 WeakPolarHBondContact CG-OD1 3.37Å; L677-D680 PolarHBondContact O-N 2.66Å; D680-I697 WeakPolarHBondContact O-CD1 3.35Å |
| 681 | K | 80.1 | Confident | 91.4 | Very high | 82 Ų | 82 | 27.4 Ų | 27.4 | 36% | 0.357 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -87.3 | -25.3 | -178 | -73.4 | 175.7 | 179.9 | 167.2 | 0 | 113.2 | E679 I697 P698 | E679-K681 HydrophobicContact CB-CD 4.24Å; E679-K681 HydrophobicContact CB-CG 4.28Å; E679-K681 PolarHBondContact O-N 2.82Å; E679-K681 VanDerWaalsContact OE2-CE 3.24Å; E679-K681 WeakPolarHBondContact OE2-CE 3.36Å; E679-K681 IonicContact OE2-NZ 3.35Å; E679-K681 PolarHBondContact OE2-NZ 2.85Å; K681-I697 PolarHBondContact O-N 3.37Å; K681-P698 WeakPolarHBondContact O-CD 3.46Å |
| 682 | A | 87.4 | Confident | 91.3 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 149.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | L677 Y695 | L677-A682 HydrophobicContact CD1-CB 3.99Å; L677-A682 PolarHBondContact N-O 3.11Å; A682-Y695 CarbonylContact C-O 3.59Å; A682-Y695 WeakPolarHBondContact CA-O 3.24Å; A682-Y695 WeakPolarHBondContact CB-O 3.48Å |
| 683 | V | 92.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 133.2 | 173.8 | 179 | 0 | 0 | 0 | 0 | 108.4 | F642 L650 C674 M676 Y695 I697 | F642-V683 HydrophobicContact CB-CG1 4.32Å; F642-V683 HydrophobicContact CB-CG2 4.3Å; F642-V683 HydrophobicContact CD1-CG2 3.8Å; F642-V683 HydrophobicContact CD2-CG2 3.79Å; F642-V683 HydrophobicContact CE1-CG2 3.96Å; F642-V683 HydrophobicContact CE2-CG2 3.97Å; F642-V683 HydrophobicContact CG-CG2 3.69Å; F642-V683 HydrophobicContact CZ-CG2 4.04Å; L650-V683 HydrophobicContact CD1-CG1 4.26Å; L650-V683 HydrophobicContact CD2-CG1 4.41Å; C674-V683 HydrophobicContact CB-CG1 4.16Å; M676-V683 HydrophobicContact CE-CG2 3.59Å; M676-V683 HydrophobicContact SD-CG2 3.76Å; V683-Y695 PolarHBondContact N-O 2.9Å; V683-Y695 WeakPolarHBondContact O-CB 3.45Å; V683-Y695 PolarHBondContact O-N 2.95Å; V683-I697 HydrophobicContact CG2-CD1 3.77Å; V683-I697 HydrophobicContact CG2-CG1 4.07Å |
| 684 | V | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.2 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 108.6 | C674 L675 L677 V692 Y693 F694 M716 | C674-V684 CarbonylContact C-O 3.55Å; C674-V684 WeakPolarHBondContact CA-O 3.42Å; C674-V684 WeakPolarHBondContact CB-O 3.23Å; L675-V684 HydrophobicContact CD1-CB 3.92Å; L675-V684 HydrophobicContact CD1-CG2 3.96Å; L675-V684 HydrophobicContact CG-CB 4.23Å; L675-V684 PolarHBondContact N-O 3.05Å; L675-V684 PolarHBondContact O-N 2.88Å; L677-V684 HydrophobicContact CD1-CG2 3.82Å; L677-V684 HydrophobicContact CD2-CG2 3.67Å; L677-V684 HydrophobicContact CG-CG2 3.59Å; V684-V692 HydrophobicContact CG1-CG1 3.2Å; V684-Y693 CarbonylContact C-O 3.53Å; V684-Y693 WeakPolarHBondContact CA-O 3.41Å; V684-F694 HydrophobicContact CB-CD1 4.5Å; V684-F694 HydrophobicContact CB-CE1 4.4Å; V684-F694 HydrophobicContact CG1-CD1 4.22Å; V684-F694 HydrophobicContact CG1-CE1 3.86Å; V684-F694 HydrophobicContact CG1-CZ 4.05Å; V684-F694 HydrophobicContact CG2-CD1 3.64Å; V684-F694 HydrophobicContact CG2-CE1 3.6Å; V684-M716 HydrophobicContact CB-CE 4.44Å; V684-M716 HydrophobicContact CG1-CE 3.98Å; V684-M716 HydrophobicContact CG1-SD 4.16Å |
| 685 | C | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.8 | -180 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | T644 F666 L671 S673 V692 Y693 | T644-C685 HydrophobicContact CG2-CB 4.16Å; F666-C685 HydrophobicContact CE2-CB 4.4Å; L671-C685 HydrophobicContact CD1-CB 4.5Å; S673-C685 WeakPolarHBondContact O-CA 3.41Å; C685-V692 CarbonylContact O-C 3.45Å; C685-V692 WeakPolarHBondContact O-CA 3.37Å; C685-Y693 PolarHBondContact N-O 2.69Å; C685-Y693 PolarHBondContact O-N 3.16Å |
| 686 | S | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 155.1 | 170.2 | 47.5 | 0 | 0 | 0 | 0 | 111.1 | L671 S672 S673 I713 M716 | L671-S686 CarbonylContact C-O 3.52Å; L671-S686 WeakPolarHBondContact CA-O 3.43Å; S672-S686 PolarHBondContact N-O 2.88Å; S672-S686 VanDerWaalsContact OG-CB 3.26Å; S672-S686 WeakPolarHBondContact OG-CB 3.46Å; S672-S686 PolarHBondContact OG-O 2.83Å; S672-S686 PolarHBondContact OG-OG 2.88Å; S673-S686 WeakPolarHBondContact CB-OG 3Å; S673-S686 PolarHBondContact N-OG 2.82Å; S673-S686 PolarHBondContact O-N 3.44Å; S673-S686 PolarHBondContact O-OG 3.14Å; S686-I713 VanDerWaalsContact CB-CG2 3.47Å; S686-M716 VanDerWaalsContact CB-SD 3.5Å |
| 687 | S | 97.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 156.8 | -176.4 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | A670 D689 N690 N691 I713 | A670-S687 WeakPolarHBondContact O-CA 3.07Å; A670-S687 PolarHBondContact O-OG 2.88Å; S687-D689 VanDerWaalsContact CB-OD1 3.29Å; S687-D689 WeakPolarHBondContact CB-OD1 3.32Å; S687-D689 WeakPolarHBondContact CB-OD2 3.39Å; S687-D689 PolarHBondContact O-N 3.43Å; S687-D689 PolarHBondContact OG-N 2.8Å; S687-D689 PolarHBondContact OG-OD1 3.4Å; S687-D689 PolarHBondContact OG-OD2 2.83Å; S687-N690 PolarHBondContact O-N 3.08Å; S687-N691 PolarHBondContact N-O 2.66Å; S687-I713 PolarHBondContact O-N 3.02Å |
| 688 | W | 97.1 | Very high | 89.6 | Confident | 88 Ų | 88 | 29.3 Ų | 29.3 | 33% | 0.333 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1 | 171.4 | -63.6 | -3.9 | 0 | 0 | 0 | 113.7 | M669 A670 A712 | M669-W688 HydrophobicContact CB-CB 4.29Å; A670-W688 HydrophobicContact CB-CD2 3.64Å; A670-W688 HydrophobicContact CB-CE3 3.57Å; A670-W688 HydrophobicContact CB-CG 4.19Å; A670-W688 HydrophobicContact CB-CH2 4.14Å; A670-W688 HydrophobicContact CB-CZ2 4.22Å; A670-W688 HydrophobicContact CB-CZ3 3.83Å; A670-W688 PolarHBondContact O-N 3.15Å; W688-A712 HydrophobicContact CB-CB 3.86Å; W688-A712 HydrophobicContact CG-CB 3.96Å |
| 689 | D | 95.7 | Very high | 89.8 | Confident | 33 Ų | 33 | 32 Ų | 32 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 14.6 | 168.8 | 61 | 40.6 | 0 | 0 | 0 | 113.6 | S667 M669 S687 N691 Y693 | S667-D689 WeakPolarHBondContact CB-OD2 3.28Å; S667-D689 PolarHBondContact OG-OD2 2.92Å; M669-D689 HydrophobicContact CB-CB 4.01Å; M669-D689 HydrophobicContact CG-CB 4.01Å; S687-D689 VanDerWaalsContact CB-OD1 3.29Å; S687-D689 WeakPolarHBondContact CB-OD1 3.32Å; S687-D689 WeakPolarHBondContact CB-OD2 3.39Å; S687-D689 PolarHBondContact O-N 3.43Å; S687-D689 PolarHBondContact OG-N 2.8Å; S687-D689 PolarHBondContact OG-OD1 3.4Å; S687-D689 PolarHBondContact OG-OD2 2.83Å; D689-N691 VanDerWaalsContact C-N 3.26Å; D689-N691 PolarHBondContact O-N 2.88Å; D689-N691 PolarHBondContact O-ND2 2.83Å; D689-N691 WeakPolarHBondContact OD1-CB 3.43Å; D689-N691 PolarHBondContact OD1-N 2.8Å; D689-N691 PolarHBondContact OD1-ND2 3.35Å; D689-Y693 PolarHBondContact OD1-OH 2.88Å; D689-Y693 PolarHBondContact OD2-OH 3.43Å |
| 690 | N | 96.7 | Very high | 90 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 18% | 0.182 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 74.1 | 5.5 | 178.7 | -41.2 | -6.7 | 0 | 0 | 0 | 115.3 | S687 G708 H709 D710 D711 A712 | S687-N690 PolarHBondContact O-N 3.08Å; N690-G708 PolarHBondContact O-N 3.3Å; N690-G708 VanDerWaalsContact O-N 3.07Å; N690-H709 WeakPolarHBondContact CB-O 3.46Å; N690-H709 PolarHBondContact O-N 2.91Å; N690-D710 PolarHBondContact ND2-O 3.05Å; N690-D711 WeakPolarHBondContact OD1-CA 3.5Å; N690-D711 PolarHBondContact OD1-O 2.79Å; N690-A712 PolarHBondContact OD1-N 2.96Å |
| 691 | N | 96 | Very high | 90 | Very high | 32 Ų | 32 | 34 Ų | 34 | 17% | 0.171 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 154.5 | -179.5 | -56.9 | -82.2 | 0 | 0 | 0 | 113.8 | S687 D689 Y693 T705 L706 M707 | S687-N691 PolarHBondContact N-O 2.66Å; D689-N691 VanDerWaalsContact C-N 3.26Å; D689-N691 PolarHBondContact O-N 2.88Å; D689-N691 PolarHBondContact O-ND2 2.83Å; D689-N691 WeakPolarHBondContact OD1-CB 3.43Å; D689-N691 PolarHBondContact OD1-N 2.8Å; D689-N691 PolarHBondContact OD1-ND2 3.35Å; N691-Y693 HydrophobicContact CB-CE1 4.1Å; N691-Y693 HydrophobicContact CB-CE2 4.18Å; N691-T705 HydrophobicContact CB-CG2 3.89Å; N691-L706 CarbonylContact C-O 3.54Å; N691-L706 VanDerWaalsContact CA-O 3.31Å; N691-L706 WeakPolarHBondContact CA-O 3.28Å; N691-M707 WeakPolarHBondContact OD1-CA 3.28Å |
| 692 | V | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.2 | 164.8 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | V684 C685 F694 T705 L706 I713 M716 L723 T725 | V684-V692 HydrophobicContact CG1-CG1 3.2Å; C685-V692 CarbonylContact O-C 3.45Å; C685-V692 WeakPolarHBondContact O-CA 3.37Å; V692-F694 HydrophobicContact CB-CE2 4.48Å; V692-F694 HydrophobicContact CG1-CE2 3.94Å; V692-F694 HydrophobicContact CG1-CZ 4.07Å; V692-T705 WeakPolarHBondContact O-CA 3.48Å; V692-L706 HydrophobicContact CB-CB 4.24Å; V692-L706 PolarHBondContact N-O 2.82Å; V692-L706 PolarHBondContact O-N 3.36Å; V692-I713 HydrophobicContact CG2-CD1 3.51Å; V692-M716 HydrophobicContact CB-SD 4.44Å; V692-M716 HydrophobicContact CG1-SD 3.73Å; V692-M716 HydrophobicContact CG2-SD 3.87Å; V692-L723 HydrophobicContact CG1-CD2 4.1Å; V692-L723 HydrophobicContact CG2-CD2 4.5Å; V692-T725 HydrophobicContact CG2-CG2 3.96Å |
| 693 | Y | 94.3 | Very high | 90.1 | Very high | 13 Ų | 13 | 38 Ų | 38 | 5% | 0.051 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.9 | -179.1 | -61.9 | -65.8 | 0 | 0 | 0 | 111.3 | F666 L671 V684 C685 D689 N691 T705 | F666-Y693 HydrophobicContact CB-CD1 3.93Å; F666-Y693 HydrophobicContact CB-CD2 3.41Å; F666-Y693 VanDerWaalsContact CB-CD2 3.41Å; F666-Y693 HydrophobicContact CB-CE1 3.98Å; F666-Y693 HydrophobicContact CB-CE2 3.44Å; F666-Y693 VanDerWaalsContact CB-CE2 3.44Å; F666-Y693 HydrophobicContact CB-CG 3.65Å; F666-Y693 HydrophobicContact CD1-CD1 4.22Å; F666-Y693 HydrophobicContact CD1-CD2 4.47Å; F666-Y693 AromaticContact CD1-CG 3.95Å; F666-Y693 HydrophobicContact CD1-CG 3.95Å; F666-Y693 AromaticContact CD2-CD2 3.99Å; F666-Y693 HydrophobicContact CD2-CD2 3.99Å; F666-Y693 HydrophobicContact CD2-CG 4.17Å; F666-Y693 HydrophobicContact CG-CD1 4.2Å; F666-Y693 AromaticContact CG-CD2 3.72Å; F666-Y693 HydrophobicContact CG-CD2 3.72Å; F666-Y693 HydrophobicContact CG-CE2 4.27Å; F666-Y693 AromaticContact CG-CG 3.66Å; F666-Y693 HydrophobicContact CG-CG 3.66Å; L671-Y693 HydrophobicContact CD2-CD2 4.4Å; V684-Y693 CarbonylContact C-O 3.53Å; V684-Y693 WeakPolarHBondContact CA-O 3.41Å; C685-Y693 PolarHBondContact N-O 2.69Å; C685-Y693 PolarHBondContact O-N 3.16Å; D689-Y693 PolarHBondContact OD1-OH 2.88Å; D689-Y693 PolarHBondContact OD2-OH 3.43Å; N691-Y693 HydrophobicContact CB-CE1 4.1Å; N691-Y693 HydrophobicContact CB-CE2 4.18Å; Y693-T705 HydrophobicContact CD1-CG2 3.77Å; Y693-T705 WeakPolarHBondContact CD1-OG1 3.5Å; Y693-T705 HydrophobicContact CE1-CG2 3.5Å; Y693-T705 VanDerWaalsContact CE1-CG2 3.5Å |
| 694 | F | 91.1 | Very high | 89.7 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.8 | 175.1 | -63.8 | -96.3 | 0 | 0 | 0 | 108.8 | L677 V684 V692 R702 Q703 D704 L706 L723 F750 | L677-F694 HydrophobicContact CD1-CD1 4.31Å; V684-F694 HydrophobicContact CB-CD1 4.5Å; V684-F694 HydrophobicContact CB-CE1 4.4Å; V684-F694 HydrophobicContact CG1-CD1 4.22Å; V684-F694 HydrophobicContact CG1-CE1 3.86Å; V684-F694 HydrophobicContact CG1-CZ 4.05Å; V684-F694 HydrophobicContact CG2-CD1 3.64Å; V684-F694 HydrophobicContact CG2-CE1 3.6Å; V692-F694 HydrophobicContact CB-CE2 4.48Å; V692-F694 HydrophobicContact CG1-CE2 3.94Å; V692-F694 HydrophobicContact CG1-CZ 4.07Å; F694-R702 CarbonylContact O-C 3.58Å; F694-R702 WeakPolarHBondContact O-CA 3.35Å; F694-Q703 HydrophobicContact CB-CB 4.39Å; F694-Q703 PolarHBondContact O-N 2.88Å; F694-D704 HydrophobicContact CB-CB 4.14Å; F694-D704 HydrophobicContact CD2-CB 4.02Å; F694-D704 HydrophobicContact CG-CB 4.33Å; F694-D704 PolarHBondContact N-O 2.96Å; F694-D704 PolarHBondContact O-N 2.89Å; F694-L706 HydrophobicContact CE2-CB 4.08Å; F694-L723 HydrophobicContact CZ-CD2 4.23Å; F694-F750 HydrophobicContact CD1-CZ 4.3Å; F694-F750 HydrophobicContact CD2-CE2 4.29Å; F694-F750 HydrophobicContact CE1-CE1 4.19Å; F694-F750 HydrophobicContact CE1-CE2 4.1Å; F694-F750 AromaticContact CE1-CZ 3.41Å; F694-F750 HydrophobicContact CE1-CZ 3.41Å; F694-F750 VanDerWaalsContact CE1-CZ 3.41Å; F694-F750 HydrophobicContact CE2-CD2 4.44Å; F694-F750 AromaticContact CE2-CE2 3.56Å; F694-F750 HydrophobicContact CE2-CE2 3.56Å; F694-F750 AromaticContact CE2-CZ 3.69Å; F694-F750 HydrophobicContact CE2-CZ 3.69Å; F694-F750 HydrophobicContact CZ-CD2 4.47Å; F694-F750 AromaticContact CZ-CE1 3.75Å; F694-F750 HydrophobicContact CZ-CE1 3.75Å; F694-F750 AromaticContact CZ-CE2 3.47Å; F694-F750 HydrophobicContact CZ-CE2 3.47Å; F694-F750 VanDerWaalsContact CZ-CE2 3.47Å; F694-F750 AromaticContact CZ-CZ 3.05Å; F694-F750 HydrophobicContact CZ-CZ 3.05Å |
| 695 | Y | 88.7 | Confident | 89.5 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.027 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.6 | -179 | -179.7 | -99.4 | 0 | 0 | 0 | 110.6 | F642 L650 R662 M664 F666 A682 V683 G700 | F642-Y695 HydrophobicContact CE1-CE1 4.29Å; L650-Y695 HydrophobicContact CD2-CD1 3.96Å; L650-Y695 HydrophobicContact CD2-CD2 4.43Å; L650-Y695 HydrophobicContact CD2-CG 3.86Å; R662-Y695 VanDerWaalsContact CD-OH 3.31Å; R662-Y695 WeakPolarHBondContact CD-OH 3.47Å; M664-Y695 HydrophobicContact CB-CE2 4.13Å; M664-Y695 HydrophobicContact CG-CD2 4.26Å; M664-Y695 HydrophobicContact CG-CE2 4.08Å; F666-Y695 HydrophobicContact CE1-CD2 4.14Å; F666-Y695 AromaticContact CZ-CD2 3.91Å; F666-Y695 HydrophobicContact CZ-CD2 3.91Å; F666-Y695 HydrophobicContact CZ-CG 4.24Å; A682-Y695 CarbonylContact C-O 3.59Å; A682-Y695 WeakPolarHBondContact CA-O 3.24Å; A682-Y695 WeakPolarHBondContact CB-O 3.48Å; V683-Y695 PolarHBondContact N-O 2.9Å; V683-Y695 WeakPolarHBondContact O-CB 3.45Å; V683-Y695 PolarHBondContact O-N 2.95Å; Y695-G700 VanDerWaalsContact CE2-C 3.42Å; Y695-G700 WeakPolarHBondContact CE2-O 3.34Å; Y695-G700 VanDerWaalsContact OH-C 3.26Å; Y695-G700 WeakPolarHBondContact OH-CA 3.34Å; Y695-G700 PolarHBondContact OH-O 2.81Å |
| 696 | S | 84.6 | Confident | 89.3 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 121.5 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | F699 G700 R701 | S696-F699 VanDerWaalsContact OG-CD2 3.23Å; S696-F699 WeakPolarHBondContact OG-CD2 3.38Å; S696-G700 VanDerWaalsContact O-CA 3.31Å; S696-G700 WeakPolarHBondContact O-CA 3.34Å; S696-G700 PolarHBondContact O-N 2.81Å; S696-R701 PolarHBondContact N-O 3.4Å |
| 697 | I | 85.8 | Confident | 89.1 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 14% | 0.138 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -45.7 | 178.5 | -60.5 | 168.1 | 0 | 0 | 0 | 111.1 | F642 R662 M676 D680 K681 V683 F699 | F642-I697 HydrophobicContact CE1-CG1 4.24Å; F642-I697 HydrophobicContact CE2-CD1 3.78Å; F642-I697 HydrophobicContact CE2-CG1 4.28Å; F642-I697 HydrophobicContact CZ-CD1 3.66Å; F642-I697 HydrophobicContact CZ-CG1 3.63Å; F642-I697 HydrophobicContact CZ-CG2 4.23Å; R662-I697 PolarHBondContact NH1-O 3.07Å; R662-I697 PolarHBondContact NH2-O 2.64Å; M676-I697 HydrophobicContact CE-CD1 4.05Å; M676-I697 HydrophobicContact SD-CD1 3.67Å; D680-I697 WeakPolarHBondContact O-CD1 3.35Å; K681-I697 PolarHBondContact O-N 3.37Å; V683-I697 HydrophobicContact CG2-CD1 3.77Å; V683-I697 HydrophobicContact CG2-CG1 4.07Å; I697-F699 PolarHBondContact O-N 2.79Å |
| 698 | P | 81 | Confident | 88.7 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -43 | 178 | -26.7 | 35.1 | 0 | 0 | 0 | 113.3 | K681 | K681-P698 WeakPolarHBondContact O-CD 3.46Š|
| 699 | F | 77.6 | Confident | 88.7 | Confident | 117 Ų | 117 | 43.9 Ų | 43.9 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -13.1 | -175.4 | -59.3 | -64.2 | 0 | 0 | 0 | 114.3 | S696 I697 R701 N745 | S696-F699 VanDerWaalsContact OG-CD2 3.23Å; S696-F699 WeakPolarHBondContact OG-CD2 3.38Å; I697-F699 PolarHBondContact O-N 2.79Å; F699-R701 VanDerWaalsContact C-N 3.28Å; F699-R701 HydrophobicContact CB-CG 3.97Å; F699-R701 PolarHBondContact O-N 2.89Å; F699-N745 HydrophobicContact CE2-CB 4.29Å |
| 700 | G | 80.8 | Confident | 88.6 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 27% | 0.268 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 27.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y695 S696 | Y695-G700 VanDerWaalsContact CE2-C 3.42Å; Y695-G700 WeakPolarHBondContact CE2-O 3.34Å; Y695-G700 VanDerWaalsContact OH-C 3.26Å; Y695-G700 WeakPolarHBondContact OH-CA 3.34Å; Y695-G700 PolarHBondContact OH-O 2.81Å; S696-G700 VanDerWaalsContact O-CA 3.31Å; S696-G700 WeakPolarHBondContact O-CA 3.34Å; S696-G700 PolarHBondContact O-N 2.81Å |
| 701 | R | 79.3 | Confident | 88.7 | Confident | 163 Ų | 163 | 49.9 Ų | 49.9 | 62% | 0.615 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 161.3 | -175.6 | 68.2 | -178.1 | -178.2 | -176.7 | 0 | 112.1 | S696 F699 Q703 | S696-R701 PolarHBondContact N-O 3.4Å; F699-R701 VanDerWaalsContact C-N 3.28Å; F699-R701 HydrophobicContact CB-CG 3.97Å; F699-R701 PolarHBondContact O-N 2.89Å; R701-Q703 PolarHBondContact O-N 2.9Å |
| 702 | R | 85 | Confident | 88.7 | Confident | 125 Ų | 125 | 48.5 Ų | 48.5 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 123.2 | 168.2 | -173.1 | 179.5 | 69.5 | -175.4 | 0.6 | 109.6 | F666 F694 T705 | F666-R702 HydrophobicContact CD1-CB 4.24Å; F666-R702 HydrophobicContact CD1-CG 4.19Å; F666-R702 HydrophobicContact CE1-CB 4.03Å; F666-R702 HydrophobicContact CE1-CG 4.22Å; F694-R702 CarbonylContact O-C 3.58Å; F694-R702 WeakPolarHBondContact O-CA 3.35Å; R702-T705 WeakPolarHBondContact CD-OG1 3.43Å |
| 703 | Q | 84.3 | Confident | 88.8 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -48 | 176.7 | 179.5 | 175.2 | -18.1 | 0 | 0 | 111.1 | F694 R701 | F694-Q703 HydrophobicContact CB-CB 4.39Å; F694-Q703 PolarHBondContact O-N 2.88Å; R701-Q703 PolarHBondContact O-N 2.9Å |
| 704 | D | 85.3 | Confident | 89 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 170.3 | -176.7 | -141.7 | -21.8 | 0 | 0 | 0 | 112.9 | F694 R747 C748 | F694-D704 HydrophobicContact CB-CB 4.14Å; F694-D704 HydrophobicContact CD2-CB 4.02Å; F694-D704 HydrophobicContact CG-CB 4.33Å; F694-D704 PolarHBondContact N-O 2.96Å; F694-D704 PolarHBondContact O-N 2.89Å; D704-R747 IonicContact OD1-NE 3.04Å; D704-R747 WeakPolarHBondContact OD2-CA 3.47Å; D704-R747 WeakPolarHBondContact OD2-CG 3.22Å; D704-C748 PolarHBondContact OD2-N 2.98Å |
| 705 | T | 90.4 | Very high | 89.3 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 125.4 | 175.9 | -55.7 | 0 | 0 | 0 | 0 | 109.9 | N691 V692 Y693 R702 | N691-T705 HydrophobicContact CB-CG2 3.89Å; V692-T705 WeakPolarHBondContact O-CA 3.48Å; Y693-T705 HydrophobicContact CD1-CG2 3.77Å; Y693-T705 WeakPolarHBondContact CD1-OG1 3.5Å; Y693-T705 HydrophobicContact CE1-CG2 3.5Å; Y693-T705 VanDerWaalsContact CE1-CG2 3.5Å; R702-T705 WeakPolarHBondContact CD-OG1 3.43Å |
| 706 | L | 92.1 | Very high | 89.6 | Confident | 18 Ų | 18 | 51.4 Ų | 51.4 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.7 | 174.6 | 170.2 | 64.6 | 0 | 0 | 0 | 108.3 | N691 V692 F694 G708 L723 W735 F750 | N691-L706 CarbonylContact C-O 3.54Å; N691-L706 VanDerWaalsContact CA-O 3.31Å; N691-L706 WeakPolarHBondContact CA-O 3.28Å; V692-L706 HydrophobicContact CB-CB 4.24Å; V692-L706 PolarHBondContact N-O 2.82Å; V692-L706 PolarHBondContact O-N 3.36Å; F694-L706 HydrophobicContact CE2-CB 4.08Å; L706-G708 PolarHBondContact O-N 3.16Å; L706-L723 HydrophobicContact CD2-CD2 4.11Å; L706-W735 HydrophobicContact CD1-CD2 4.5Å; L706-W735 HydrophobicContact CD1-CE3 4.09Å; L706-W735 HydrophobicContact CD1-CH2 4.46Å; L706-W735 HydrophobicContact CD1-CZ3 4.06Å; L706-W735 HydrophobicContact CD2-CD2 3.87Å; L706-W735 HydrophobicContact CD2-CE3 4.25Å; L706-W735 HydrophobicContact CD2-CG 3.97Å; L706-F750 HydrophobicContact CB-CD2 4.42Å; L706-F750 HydrophobicContact CD1-CB 3.95Å; L706-F750 HydrophobicContact CD1-CG 4.4Å; L706-F750 HydrophobicContact CD2-CB 4.18Å; L706-F750 HydrophobicContact CD2-CD1 4.28Å; L706-F750 HydrophobicContact CD2-CD2 4.31Å; L706-F750 HydrophobicContact CD2-CG 3.99Å |
| 707 | M | 92.3 | Very high | 90.1 | Very high | 123 Ų | 123 | 52.1 Ų | 52.1 | 61% | 0.606 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 103.4 | 166.6 | -178.5 | 176.8 | 171.7 | 0 | 0 | 107.2 | N691 | N691-M707 WeakPolarHBondContact OD1-CA 3.28Å |
| 708 | G | 88.4 | Confident | 90.4 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | trans | -90.5 | -36.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N690 L706 K733 W735 | N690-G708 PolarHBondContact O-N 3.3Å; N690-G708 VanDerWaalsContact O-N 3.07Å; L706-G708 PolarHBondContact O-N 3.16Å; G708-K733 WeakPolarHBondContact O-CD 3.45Å; G708-W735 VanDerWaalsContact O-CZ2 3.24Å; G708-W735 WeakPolarHBondContact O-CZ2 3.37Å | ||
| 709 | H | 96.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 1% | 0.014 | 25% | 0.25 | C | S | . | . | trans | -140.9 | 172.7 | -163.1 | -78.9 | -82.8 | 0 | 0 | 0 | 112.2 | N690 D711 I713 T725 S727 D729 T731 | N690-H709 WeakPolarHBondContact CB-O 3.46Å; N690-H709 PolarHBondContact O-N 2.91Å; H709-D711 WeakPolarHBondContact CB-O 3.4Å; H709-I713 HydrophobicContact CB-CG1 4.06Å; H709-T725 PolarHBondContact CD2-OG1 3.43Å; H709-T725 WeakPolarHBondContact NE2-CB 3.28Å; H709-T725 PolarHBondContact NE2-O 2.8Å; H709-T725 VanDerWaalsContact NE2-O 3.16Å; H709-T725 PolarHBondContact NE2-OG1 2.81Å; H709-S727 WeakPolarHBondContact CB-OG 3.29Å; H709-S727 VanDerWaalsContact CE1-CB 3.47Å; H709-S727 WeakPolarHBondContact CE1-CB 3.48Å; H709-S727 WeakPolarHBondContact ND1-CB 3.23Å; H709-D729 WeakPolarHBondContact CB-OD2 3.36Å; H709-D729 IonicContact CG-OD2 2.79Å; H709-D729 IonicContact ND1-OD1 2.96Å; H709-D729 PolarHBondContact ND1-OD1 3.17Å; H709-D729 IonicContact ND1-OD2 2.94Å; H709-D729 PolarHBondContact ND1-OD2 3.11Å; H709-T731 PolarHBondContact CE1-OG1 2.84Å; H709-T731 PolarHBondContact ND1-OG1 3.19Å | ||
| 710 | D | 94.9 | Very high | 91.3 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 66% | 0.663 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -100 | -8.9 | 176.8 | -67.2 | -48.9 | 0 | 0 | 0 | 112.6 | N690 D729 | N690-D710 PolarHBondContact ND2-O 3.05Å; D710-D729 PolarHBondContact N-OD2 3.08Å; D710-D729 VanDerWaalsContact N-OD2 3.13Å |
| 711 | D | 97.3 | Very high | 91.6 | Very high | 69 Ų | 69 | 52.8 Ų | 52.8 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -136.2 | -178.6 | 171.8 | -160 | -2.4 | 0 | 0 | 0 | 110.4 | N690 H709 I713 S727 W728 D729 | N690-D711 WeakPolarHBondContact OD1-CA 3.5Å; N690-D711 PolarHBondContact OD1-O 2.79Å; H709-D711 WeakPolarHBondContact CB-O 3.4Å; D711-I713 PolarHBondContact O-N 2.82Å; D711-S727 PolarHBondContact O-OG 2.91Å; D711-W728 HydrophobicContact CB-CB 4.37Å; D711-W728 WeakPolarHBondContact OD2-CB 3.47Å; D711-D729 HydrophobicContact CB-CB 3.91Å |
| 712 | A | 97.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | trans | -56.8 | 126.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W688 N690 S714 S727 W728 | W688-A712 HydrophobicContact CB-CB 3.86Å; W688-A712 HydrophobicContact CG-CB 3.96Å; N690-A712 PolarHBondContact OD1-N 2.96Å; A712-S714 PolarHBondContact O-N 3.16Å; A712-S727 WeakPolarHBondContact O-CA 3.4Å; A712-S727 PolarHBondContact O-OG 2.84Å; A712-W728 HydrophobicContact CB-CD2 4.19Å; A712-W728 HydrophobicContact CB-CE3 3.74Å; A712-W728 HydrophobicContact CB-CZ3 4.12Å; A712-W728 PolarHBondContact O-N 3Å | ||
| 713 | I | 98.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 124.8 | 174.2 | -56.2 | -179.3 | 0 | 0 | 0 | 108.2 | S672 S686 S687 V692 H709 D711 M716 A726 | S672-I713 WeakPolarHBondContact CB-O 3.48Å; S672-I713 PolarHBondContact OG-O 2.83Å; S686-I713 VanDerWaalsContact CB-CG2 3.47Å; S687-I713 PolarHBondContact O-N 3.02Å; V692-I713 HydrophobicContact CG2-CD1 3.51Å; H709-I713 HydrophobicContact CB-CG1 4.06Å; D711-I713 PolarHBondContact O-N 2.82Å; I713-M716 HydrophobicContact CG2-CG 4.22Å; I713-A726 CarbonylContact C-O 3.54Å; I713-A726 WeakPolarHBondContact CA-O 3.47Å; I713-A726 WeakPolarHBondContact CG2-O 3.41Å |
| 714 | S | 97.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 39.4 Ų | 39.4 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -44.1 | -173.2 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | A712 A726 V762 N763 | A712-S714 PolarHBondContact O-N 3.16Å; S714-A726 PolarHBondContact N-O 3.07Å; S714-A726 PolarHBondContact OG-O 3.13Å; S714-A726 VanDerWaalsContact OG-O 3.12Å; S714-V762 VanDerWaalsContact CB-O 3.32Å; S714-V762 WeakPolarHBondContact CB-O 3.48Å; S714-V762 PolarHBondContact OG-O 3.04Å; S714-N763 WeakPolarHBondContact CB-O 3.31Å; S714-N763 PolarHBondContact OG-O 2.88Å |
| 715 | K | 97.3 | Very high | 93.9 | Very high | 65 Ų | 65 | 38.8 Ų | 38.8 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 158.6 | -177.1 | -159.8 | 86.5 | 175.5 | -147.3 | 0 | 110.5 | A726 I765 D806 | K715-A726 PolarHBondContact O-N 3.31Å; K715-I765 HydrophobicContact CB-CG1 4.1Å; K715-I765 HydrophobicContact CG-CG1 4.27Å; K715-D806 IonicContact NZ-OD1 3.2Å; K715-D806 PolarHBondContact NZ-OD1 2.92Å |
| 716 | M | 96.5 | Very high | 94.3 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.2 | 176.6 | -60.5 | -172.8 | -62.7 | 0 | 0 | 111.6 | L675 V684 S686 V692 I713 L723 Y724 T725 | L675-M716 HydrophobicContact CD2-CB 3.92Å; V684-M716 HydrophobicContact CB-CE 4.44Å; V684-M716 HydrophobicContact CG1-CE 3.98Å; V684-M716 HydrophobicContact CG1-SD 4.16Å; S686-M716 VanDerWaalsContact CB-SD 3.5Å; V692-M716 HydrophobicContact CB-SD 4.44Å; V692-M716 HydrophobicContact CG1-SD 3.73Å; V692-M716 HydrophobicContact CG2-SD 3.87Å; I713-M716 HydrophobicContact CG2-CG 4.22Å; M716-L723 HydrophobicContact CB-CD1 4.4Å; M716-L723 HydrophobicContact SD-CD1 4.22Å; M716-Y724 CarbonylContact C-O 3.52Å; M716-Y724 WeakPolarHBondContact CA-O 3.39Å; M716-T725 HydrophobicContact CG-CG2 4.14Å; M716-T725 HydrophobicContact SD-CG2 4.34Å |
| 717 | C | 95.2 | Very high | 94.6 | Very high | 18 Ų | 18 | 35.6 Ų | 35.6 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.9 | 169.9 | -72.9 | 0 | 0 | 0 | 0 | 110.2 | Y724 I765 L767 | C717-Y724 PolarHBondContact N-O 2.98Å; C717-Y724 PolarHBondContact O-N 3.15Å; C717-I765 HydrophobicContact CB-CD1 4.46Å; C717-L767 HydrophobicContact CB-CD1 4.05Å; C717-L767 HydrophobicContact CB-CG 4.3Å |
| 718 | W | 92 | Very high | 94.9 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 15% | 0.148 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.3 | 178.3 | 179.5 | -83.6 | 0 | 0 | 0 | 110.7 | L675 L677 N721 Q722 L723 C737 I742 F750 | L675-W718 HydrophobicContact CD1-CB 3.66Å; L675-W718 HydrophobicContact CD1-CG 4.31Å; L675-W718 HydrophobicContact CD2-CB 3.86Å; L675-W718 HydrophobicContact CG-CB 4.42Å; L677-W718 HydrophobicContact CD2-CD2 3.4Å; L677-W718 VanDerWaalsContact CD2-CD2 3.4Å; L677-W718 VanDerWaalsContact CD2-CE2 3.48Å; L677-W718 HydrophobicContact CD2-CE3 3.62Å; L677-W718 HydrophobicContact CD2-CG 3.91Å; L677-W718 HydrophobicContact CD2-CH2 3.97Å; L677-W718 HydrophobicContact CD2-CZ2 3.76Å; L677-W718 HydrophobicContact CD2-CZ3 3.9Å; W718-N721 HydrophobicContact CZ2-CB 4.39Å; W718-Q722 WeakPolarHBondContact CA-O 3.45Å; W718-L723 HydrophobicContact CE3-CB 3.72Å; W718-L723 HydrophobicContact CE3-CD1 3.95Å; W718-L723 HydrophobicContact CE3-CG 4.41Å; W718-L723 HydrophobicContact CZ3-CB 3.8Å; W718-C737 HydrophobicContact CH2-CB 4.06Å; W718-I742 HydrophobicContact CH2-CD1 3.59Å; W718-I742 HydrophobicContact CZ2-CD1 3.63Å; W718-F750 HydrophobicContact CZ3-CE1 4.39Å |
| 719 | K | 90.5 | Very high | 95.3 | Very high | 70 Ų | 70 | 34.4 Ų | 34.4 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 138 | 176.5 | -176.7 | 66.2 | 178.2 | -165.3 | 0 | 109.4 | N721 Q722 L767 P769 | K719-N721 VanDerWaalsContact C-N 3.27Å; K719-N721 PolarHBondContact O-N 2.87Å; K719-N721 VanDerWaalsContact O-N 3.1Å; K719-Q722 PolarHBondContact N-O 2.82Å; K719-Q722 WeakPolarHBondContact O-CA 3.48Å; K719-Q722 WeakPolarHBondContact O-CB 3.31Å; K719-Q722 PolarHBondContact O-N 3.41Å; K719-L767 HydrophobicContact CB-CD1 3.65Å; K719-L767 HydrophobicContact CG-CD1 4.48Å; K719-P769 PolarHBondContact NZ-O 3.23Å |
| 720 | D | 86.4 | Confident | 95.4 | Very high | 108 Ų | 108 | 35.8 Ų | 35.8 | 58% | 0.578 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 43.3 | 171.8 | -53.9 | -25.9 | 0 | 0 | 0 | 115.2 | Q722 | D720-Q722 PolarHBondContact O-N 2.79Š|
| 721 | N | 87.4 | Confident | 95.5 | Very high | 47 Ų | 47 | 30.5 Ų | 30.5 | 25% | 0.251 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 16.3 | -176.6 | -51.1 | -50.9 | 0 | 0 | 0 | 115.7 | W718 K719 Q736 C737 S739 | W718-N721 HydrophobicContact CZ2-CB 4.39Å; K719-N721 VanDerWaalsContact C-N 3.27Å; K719-N721 PolarHBondContact O-N 2.87Å; K719-N721 VanDerWaalsContact O-N 3.1Å; N721-Q736 PolarHBondContact O-NE2 3.36Å; N721-C737 WeakPolarHBondContact CB-O 3.48Å; N721-C737 PolarHBondContact O-N 3.4Å; N721-S739 PolarHBondContact ND2-OG 3.34Å |
| 722 | Q | 92.2 | Very high | 95.6 | Very high | 48 Ų | 48 | 27.2 Ų | 27.2 | 22% | 0.224 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.3 | 172.6 | -63.6 | -179.8 | 7.6 | 0 | 0 | 110 | W718 K719 D720 Y724 V734 W735 L753 | W718-Q722 WeakPolarHBondContact CA-O 3.45Å; K719-Q722 PolarHBondContact N-O 2.82Å; K719-Q722 WeakPolarHBondContact O-CA 3.48Å; K719-Q722 WeakPolarHBondContact O-CB 3.31Å; K719-Q722 PolarHBondContact O-N 3.41Å; D720-Q722 PolarHBondContact O-N 2.79Å; Q722-Y724 HydrophobicContact CB-CD2 4.49Å; Q722-Y724 HydrophobicContact CB-CE2 3.79Å; Q722-Y724 PolarHBondContact OE1-OH 2.78Å; Q722-V734 HydrophobicContact CB-CG1 4.29Å; Q722-W735 CarbonylContact C-O 3.59Å; Q722-W735 VanDerWaalsContact CA-O 3.29Å; Q722-W735 WeakPolarHBondContact CA-O 3.27Å; Q722-L753 HydrophobicContact CG-CD1 4.28Å |
| 723 | L | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.2 | 171.6 | 178.8 | 69.7 | 0 | 0 | 0 | 108.6 | L675 V692 F694 L706 M716 W718 T725 V734 W735 | L675-L723 HydrophobicContact CD2-CD1 4.42Å; V692-L723 HydrophobicContact CG1-CD2 4.1Å; V692-L723 HydrophobicContact CG2-CD2 4.5Å; F694-L723 HydrophobicContact CZ-CD2 4.23Å; L706-L723 HydrophobicContact CD2-CD2 4.11Å; M716-L723 HydrophobicContact CB-CD1 4.4Å; M716-L723 HydrophobicContact SD-CD1 4.22Å; W718-L723 HydrophobicContact CE3-CB 3.72Å; W718-L723 HydrophobicContact CE3-CD1 3.95Å; W718-L723 HydrophobicContact CE3-CG 4.41Å; W718-L723 HydrophobicContact CZ3-CB 3.8Å; L723-T725 HydrophobicContact CD1-CG2 4.49Å; L723-T725 HydrophobicContact CD2-CG2 3.83Å; L723-T725 HydrophobicContact CG-CG2 3.84Å; L723-V734 CarbonylContact O-C 3.39Å; L723-V734 WeakPolarHBondContact O-CA 3.36Å; L723-W735 HydrophobicContact CB-CB 4.25Å; L723-W735 PolarHBondContact N-O 3.48Å; L723-W735 PolarHBondContact O-N 3.05Å |
| 724 | Y | 96.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.02 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125 | 173.2 | -61.7 | -104.5 | 0 | 0 | 0 | 107.9 | M716 C717 Q722 K733 V734 L767 L774 T788 | M716-Y724 CarbonylContact C-O 3.52Å; M716-Y724 WeakPolarHBondContact CA-O 3.39Å; C717-Y724 PolarHBondContact N-O 2.98Å; C717-Y724 PolarHBondContact O-N 3.15Å; Q722-Y724 HydrophobicContact CB-CD2 4.49Å; Q722-Y724 HydrophobicContact CB-CE2 3.79Å; Q722-Y724 PolarHBondContact OE1-OH 2.78Å; Y724-K733 WeakPolarHBondContact CA-O 3.43Å; Y724-V734 HydrophobicContact CD1-CB 4.36Å; Y724-V734 HydrophobicContact CD1-CG1 4.11Å; Y724-V734 HydrophobicContact CD1-CG2 3.58Å; Y724-V734 HydrophobicContact CE1-CB 4.3Å; Y724-V734 HydrophobicContact CE1-CG1 3.74Å; Y724-V734 HydrophobicContact CE1-CG2 3.59Å; Y724-V734 HydrophobicContact CE2-CG1 4.43Å; Y724-L767 HydrophobicContact CD1-CD2 4.43Å; Y724-L767 HydrophobicContact CD2-CD1 3.71Å; Y724-L767 HydrophobicContact CE1-CD2 4.15Å; Y724-L767 HydrophobicContact CE2-CD1 3.63Å; Y724-L767 HydrophobicContact CE2-CD2 4.23Å; Y724-L767 HydrophobicContact CG-CD1 4.4Å; Y724-L774 HydrophobicContact CD1-CD1 4.17Å; Y724-L774 HydrophobicContact CD1-CD2 4.42Å; Y724-T788 HydrophobicContact CE1-CG2 4.11Å |
| 725 | T | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.6 | -179.5 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | V692 H709 M716 L723 V732 K733 W735 | V692-T725 HydrophobicContact CG2-CG2 3.96Å; H709-T725 PolarHBondContact CD2-OG1 3.43Å; H709-T725 WeakPolarHBondContact NE2-CB 3.28Å; H709-T725 PolarHBondContact NE2-O 2.8Å; H709-T725 VanDerWaalsContact NE2-O 3.16Å; H709-T725 PolarHBondContact NE2-OG1 2.81Å; M716-T725 HydrophobicContact CG-CG2 4.14Å; M716-T725 HydrophobicContact SD-CG2 4.34Å; L723-T725 HydrophobicContact CD1-CG2 4.49Å; L723-T725 HydrophobicContact CD2-CG2 3.83Å; L723-T725 HydrophobicContact CG-CG2 3.84Å; T725-V732 CarbonylContact O-C 3.54Å; T725-V732 VanDerWaalsContact O-CA 3.25Å; T725-V732 WeakPolarHBondContact O-CA 3.16Å; T725-K733 PolarHBondContact N-O 2.95Å; T725-K733 PolarHBondContact O-N 3.39Å; T725-K733 PolarHBondContact OG1-O 2.85Å; T725-W735 PolarHBondContact OG1-NE1 3.09Å |
| 726 | A | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 144 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I713 S714 K715 V732 V762 I765 | I713-A726 CarbonylContact C-O 3.54Å; I713-A726 WeakPolarHBondContact CA-O 3.47Å; I713-A726 WeakPolarHBondContact CG2-O 3.41Å; S714-A726 PolarHBondContact N-O 3.07Å; S714-A726 PolarHBondContact OG-O 3.13Å; S714-A726 VanDerWaalsContact OG-O 3.12Å; K715-A726 PolarHBondContact O-N 3.31Å; A726-V732 HydrophobicContact CB-CG2 4.12Å; A726-V762 HydrophobicContact CB-CB 4.17Å; A726-V762 HydrophobicContact CB-CG1 3.78Å; A726-I765 HydrophobicContact CB-CB 4.35Å; A726-I765 HydrophobicContact CB-CD1 3.95Å; A726-I765 HydrophobicContact CB-CG1 3.84Å; A726-I765 HydrophobicContact CB-CG2 3.66Å |
| 727 | S | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 159.1 | -173.3 | 174.4 | 0 | 0 | 0 | 0 | 113.2 | H709 D711 A712 D729 S730 T731 V762 | H709-S727 WeakPolarHBondContact CB-OG 3.29Å; H709-S727 VanDerWaalsContact CE1-CB 3.47Å; H709-S727 WeakPolarHBondContact CE1-CB 3.48Å; H709-S727 WeakPolarHBondContact ND1-CB 3.23Å; D711-S727 PolarHBondContact O-OG 2.91Å; A712-S727 WeakPolarHBondContact O-CA 3.4Å; A712-S727 PolarHBondContact O-OG 2.84Å; S727-D729 WeakPolarHBondContact CB-OD1 3.42Å; S727-D729 PolarHBondContact O-N 3.33Å; S727-D729 PolarHBondContact OG-N 3.12Å; S727-D729 PolarHBondContact OG-OD1 2.86Å; S727-D729 PolarHBondContact OG-OD2 3.04Å; S727-D729 VanDerWaalsContact OG-OD2 3.08Å; S727-S730 PolarHBondContact O-N 3.01Å; S727-T731 PolarHBondContact N-O 3.26Å; S727-T731 VanDerWaalsContact N-O 3.08Å; S727-V762 PolarHBondContact O-N 3.11Å |
| 728 | W | 98.3 | Very high | 93.4 | Very high | 65 Ų | 65 | 31.8 Ų | 31.8 | 25% | 0.246 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -6.2 | 173.4 | -67.5 | -7.3 | 0 | 0 | 0 | 114.1 | D711 A712 S730 K779 | D711-W728 HydrophobicContact CB-CB 4.37Å; D711-W728 WeakPolarHBondContact OD2-CB 3.47Å; A712-W728 HydrophobicContact CB-CD2 4.19Å; A712-W728 HydrophobicContact CB-CE3 3.74Å; A712-W728 HydrophobicContact CB-CZ3 4.12Å; A712-W728 PolarHBondContact O-N 3Å; W728-S730 PolarHBondContact O-N 2.87Å; W728-S730 VanDerWaalsContact O-N 3.14Å; W728-K779 VanDerWaalsContact CD1-CE 3.41Å |
| 729 | D | 97.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 32.9 Ų | 32.9 | 20% | 0.198 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 10.1 | 167 | 65.2 | 17.9 | 0 | 0 | 0 | 113.8 | H709 D710 D711 S727 T731 | H709-D729 WeakPolarHBondContact CB-OD2 3.36Å; H709-D729 IonicContact CG-OD2 2.79Å; H709-D729 IonicContact ND1-OD1 2.96Å; H709-D729 PolarHBondContact ND1-OD1 3.17Å; H709-D729 IonicContact ND1-OD2 2.94Å; H709-D729 PolarHBondContact ND1-OD2 3.11Å; D710-D729 PolarHBondContact N-OD2 3.08Å; D710-D729 VanDerWaalsContact N-OD2 3.13Å; D711-D729 HydrophobicContact CB-CB 3.91Å; S727-D729 WeakPolarHBondContact CB-OD1 3.42Å; S727-D729 PolarHBondContact O-N 3.33Å; S727-D729 PolarHBondContact OG-N 3.12Å; S727-D729 PolarHBondContact OG-OD1 2.86Å; S727-D729 PolarHBondContact OG-OD2 3.04Å; S727-D729 VanDerWaalsContact OG-OD2 3.08Å; D729-T731 VanDerWaalsContact C-N 3.3Å; D729-T731 PolarHBondContact O-N 2.93Å; D729-T731 WeakPolarHBondContact OD1-CB 3.31Å; D729-T731 PolarHBondContact OD1-N 2.88Å; D729-T731 PolarHBondContact OD1-OG1 3.2Å |
| 730 | S | 97.9 | Very high | 90.6 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 22% | 0.217 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 68.7 | 20.9 | -179.3 | -50.3 | 0 | 0 | 0 | 0 | 114.9 | S727 W728 H758 G761 | S727-S730 PolarHBondContact O-N 3.01Å; W728-S730 PolarHBondContact O-N 2.87Å; W728-S730 VanDerWaalsContact O-N 3.14Å; S730-H758 VanDerWaalsContact CB-O 3.25Å; S730-H758 WeakPolarHBondContact CB-O 3.3Å; S730-H758 WeakPolarHBondContact O-CB 3.35Å; S730-H758 PolarHBondContact O-N 3.41Å; S730-G761 PolarHBondContact OG-N 2.88Å |
| 731 | T | 98 | Very high | 89.6 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 9% | 0.086 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 151.4 | 178.9 | 72 | 0 | 0 | 0 | 0 | 113 | H709 S727 D729 E755 F756 | H709-T731 PolarHBondContact CE1-OG1 2.84Å; H709-T731 PolarHBondContact ND1-OG1 3.19Å; S727-T731 PolarHBondContact N-O 3.26Å; S727-T731 VanDerWaalsContact N-O 3.08Å; D729-T731 VanDerWaalsContact C-N 3.3Å; D729-T731 PolarHBondContact O-N 2.93Å; D729-T731 WeakPolarHBondContact OD1-CB 3.31Å; D729-T731 PolarHBondContact OD1-N 2.88Å; D729-T731 PolarHBondContact OD1-OG1 3.2Å; T731-E755 HydrophobicContact CG2-CG 4.34Å; T731-E755 WeakPolarHBondContact CG2-OE1 3.48Å; T731-F756 WeakPolarHBondContact CA-O 3.49Å |
| 732 | V | 98.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.6 | 158.5 | -179 | 0 | 0 | 0 | 0 | 108.4 | T725 A726 E755 F756 V762 I765 L774 | T725-V732 CarbonylContact O-C 3.54Å; T725-V732 VanDerWaalsContact O-CA 3.25Å; T725-V732 WeakPolarHBondContact O-CA 3.16Å; A726-V732 HydrophobicContact CB-CG2 4.12Å; V732-E755 CarbonylContact O-C 3.57Å; V732-E755 WeakPolarHBondContact O-CA 3.46Å; V732-F756 HydrophobicContact CB-CB 4.17Å; V732-F756 HydrophobicContact CB-CD2 3.94Å; V732-F756 HydrophobicContact CG1-CD2 4Å; V732-F756 PolarHBondContact N-O 3.21Å; V732-F756 PolarHBondContact O-N 3.37Å; V732-V762 HydrophobicContact CG2-CB 4.35Å; V732-V762 HydrophobicContact CG2-CG1 3.89Å; V732-V762 HydrophobicContact CG2-CG2 4.1Å; V732-I765 HydrophobicContact CG1-CD1 4.37Å; V732-I765 HydrophobicContact CG1-CG2 4.33Å; V732-I765 HydrophobicContact CG2-CG2 3.73Å; V732-L774 HydrophobicContact CG1-CD2 3.97Å |
| 733 | K | 97.5 | Very high | 86.6 | Confident | 22 Ų | 22 | 27.7 Ų | 27.7 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 139.7 | -180 | -71.9 | -179.9 | -177.9 | -179.2 | 0 | 111.4 | G708 Y724 T725 W735 L752 E755 | G708-K733 WeakPolarHBondContact O-CD 3.45Å; Y724-K733 WeakPolarHBondContact CA-O 3.43Å; T725-K733 PolarHBondContact N-O 2.95Å; T725-K733 PolarHBondContact O-N 3.39Å; T725-K733 PolarHBondContact OG1-O 2.85Å; K733-W735 HydrophobicContact CB-CZ2 3.83Å; K733-W735 HydrophobicContact CD-CH2 4.3Å; K733-W735 HydrophobicContact CD-CZ2 3.72Å; K733-W735 HydrophobicContact CG-CZ2 4.39Å; K733-L752 HydrophobicContact CB-CD1 3.69Å; K733-L752 HydrophobicContact CD-CD1 4.08Å; K733-L752 HydrophobicContact CG-CD1 3.91Å; K733-E755 VanDerWaalsContact CE-CD 3.42Å; K733-E755 VanDerWaalsContact CE-OE1 3.26Å; K733-E755 WeakPolarHBondContact CE-OE1 3.24Å; K733-E755 WeakPolarHBondContact CE-OE2 3.38Å; K733-E755 HydrophobicContact CG-CG 4.1Å; K733-E755 IonicContact NZ-OE1 3.95Å |
| 734 | V | 96.6 | Very high | 85 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.4 | 179 | -170.2 | 0 | 0 | 0 | 0 | 109.3 | Q722 L723 Y724 L753 A754 F756 | Q722-V734 HydrophobicContact CB-CG1 4.29Å; L723-V734 CarbonylContact O-C 3.39Å; L723-V734 WeakPolarHBondContact O-CA 3.36Å; Y724-V734 HydrophobicContact CD1-CB 4.36Å; Y724-V734 HydrophobicContact CD1-CG1 4.11Å; Y724-V734 HydrophobicContact CD1-CG2 3.58Å; Y724-V734 HydrophobicContact CE1-CB 4.3Å; Y724-V734 HydrophobicContact CE1-CG1 3.74Å; Y724-V734 HydrophobicContact CE1-CG2 3.59Å; Y724-V734 HydrophobicContact CE2-CG1 4.43Å; V734-L753 HydrophobicContact CB-CB 4.42Å; V734-L753 HydrophobicContact CG1-CB 4.42Å; V734-L753 HydrophobicContact CG1-CD1 4.44Å; V734-L753 PolarHBondContact O-N 3.02Å; V734-A754 HydrophobicContact CB-CB 4.15Å; V734-A754 HydrophobicContact CG2-CB 4.02Å; V734-A754 PolarHBondContact N-O 2.95Å; V734-F756 HydrophobicContact CG2-CD2 4.48Å; V734-F756 HydrophobicContact CG2-CE2 3.64Å; V734-F756 HydrophobicContact CG2-CZ 3.85Å |
| 735 | W | 94.3 | Very high | 83.1 | Confident | 22 Ų | 22 | 35.5 Ų | 35.5 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.7 | -177 | -47.8 | 86.1 | 0 | 0 | 0 | 110.6 | L706 G708 Q722 L723 T725 K733 F750 Q751 L752 | L706-W735 HydrophobicContact CD1-CD2 4.5Å; L706-W735 HydrophobicContact CD1-CE3 4.09Å; L706-W735 HydrophobicContact CD1-CH2 4.46Å; L706-W735 HydrophobicContact CD1-CZ3 4.06Å; L706-W735 HydrophobicContact CD2-CD2 3.87Å; L706-W735 HydrophobicContact CD2-CE3 4.25Å; L706-W735 HydrophobicContact CD2-CG 3.97Å; G708-W735 VanDerWaalsContact O-CZ2 3.24Å; G708-W735 WeakPolarHBondContact O-CZ2 3.37Å; Q722-W735 CarbonylContact C-O 3.59Å; Q722-W735 VanDerWaalsContact CA-O 3.29Å; Q722-W735 WeakPolarHBondContact CA-O 3.27Å; L723-W735 HydrophobicContact CB-CB 4.25Å; L723-W735 PolarHBondContact N-O 3.48Å; L723-W735 PolarHBondContact O-N 3.05Å; T725-W735 PolarHBondContact OG1-NE1 3.09Å; K733-W735 HydrophobicContact CB-CZ2 3.83Å; K733-W735 HydrophobicContact CD-CH2 4.3Å; K733-W735 HydrophobicContact CD-CZ2 3.72Å; K733-W735 HydrophobicContact CG-CZ2 4.39Å; W735-F750 HydrophobicContact CB-CB 4.41Å; W735-F750 HydrophobicContact CB-CD1 4.02Å; W735-F750 HydrophobicContact CE3-CB 4.33Å; W735-Q751 CarbonylContact C-O 3.6Å; W735-Q751 WeakPolarHBondContact CA-O 3.42Å; W735-L752 HydrophobicContact CD2-CD1 4.22Å; W735-L752 HydrophobicContact CE3-CB 4.03Å; W735-L752 HydrophobicContact CE3-CD1 4.19Å; W735-L752 HydrophobicContact CH2-CB 4.44Å; W735-L752 HydrophobicContact CH2-CD1 4.04Å; W735-L752 HydrophobicContact CZ2-CD1 4.04Å; W735-L752 HydrophobicContact CZ3-CB 3.83Å; W735-L752 HydrophobicContact CZ3-CD1 4.11Å; W735-L752 HydrophobicContact CZ3-CG 4.49Å |
| 736 | Q | 90.8 | Very high | 81.3 | Confident | 57 Ų | 57 | 41.8 Ų | 41.8 | 27% | 0.266 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 137.4 | 169.7 | -170 | 60.7 | 57.7 | 0 | 0 | 110.4 | N721 F750 Q751 L753 | N721-Q736 PolarHBondContact O-NE2 3.36Å; Q736-F750 WeakPolarHBondContact O-CA 3.41Å; Q736-Q751 PolarHBondContact N-O 3.33Å; Q736-Q751 PolarHBondContact O-N 3.35Å; Q736-L753 HydrophobicContact CB-CD1 3.66Å; Q736-L753 HydrophobicContact CB-CD2 3.88Å; Q736-L753 HydrophobicContact CB-CG 3.67Å; Q736-L753 HydrophobicContact CG-CD1 4.37Å |
| 737 | C | 83 | Confident | 79.5 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | trans | -120.2 | 144.8 | 166.9 | -164.4 | 0 | 0 | 0 | 0 | 110.5 | W718 N721 I742 F750 | W718-C737 HydrophobicContact CH2-CB 4.06Å; N721-C737 WeakPolarHBondContact CB-O 3.48Å; N721-C737 PolarHBondContact O-N 3.4Å; C737-I742 HydrophobicContact CB-CD1 3.98Å; C737-I742 HydrophobicContact CB-CG1 4.45Å; C737-I742 WeakPolarHBondContact SG-CG1 3.49Å; C737-F750 HydrophobicContact CB-CD1 3.92Å; C737-F750 HydrophobicContact CB-CE1 3.53Å; C737-F750 HydrophobicContact CB-CZ 4.2Å | ||
| 738 | D | 75.1 | Confident | 77.9 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | trans | -77.5 | 128.7 | 172 | -167.1 | -25.9 | 0 | 0 | 0 | 110 | A740 D741 I742 | D738-A740 PolarHBondContact O-N 3.49Å; D738-A740 PolarHBondContact OD1-N 3.41Å; D738-D741 PolarHBondContact O-N 2.89Å; D738-D741 VanDerWaalsContact O-N 3.1Å; D738-I742 PolarHBondContact O-N 2.8Å | ||
| 739 | S | 63.3 | Low | 76.7 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.2 | -33.3 | 176.1 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | N721 D741 A743 | N721-S739 PolarHBondContact ND2-OG 3.34Å; S739-D741 VanDerWaalsContact C-N 3.3Å; S739-D741 PolarHBondContact O-N 3.27Å; S739-A743 WeakPolarHBondContact O-CB 3.29Å; S739-A743 PolarHBondContact O-N 3.1Å |
| 740 | A | 60.8 | Low | 76 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.7 | -28 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D738 N744 | D738-A740 PolarHBondContact O-N 3.49Å; D738-A740 PolarHBondContact OD1-N 3.41Å; A740-N744 VanDerWaalsContact O-CB 3.31Å; A740-N744 WeakPolarHBondContact O-CB 3.48Å; A740-N744 PolarHBondContact O-N 3.04Å; A740-N744 PolarHBondContact O-ND2 2.77Å |
| 741 | D | 63.4 | Low | 75.6 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 19% | 0.193 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -81.5 | -38.9 | -179.4 | -75 | -22.7 | 0 | 0 | 0 | 112 | D738 S739 N744 N745 K746 C748 | D738-D741 PolarHBondContact O-N 2.89Å; D738-D741 VanDerWaalsContact O-N 3.1Å; S739-D741 VanDerWaalsContact C-N 3.3Å; S739-D741 PolarHBondContact O-N 3.27Å; D741-N744 PolarHBondContact O-N 2.69Å; D741-N745 PolarHBondContact O-N 3.29Å; D741-K746 PolarHBondContact O-N 2.66Å; D741-C748 HydrophobicContact CB-CB 4.5Å |
| 742 | I | 59.6 | Low | 75.4 | Confident | 33 Ų | 33 | 64.1 Ų | 64.1 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.6 | -57.1 | 172.2 | 0 | 0 | 0 | 110.3 | L677 W718 C737 D738 | L677-I742 HydrophobicContact CD1-CG2 4.24Å; W718-I742 HydrophobicContact CH2-CD1 3.59Å; W718-I742 HydrophobicContact CZ2-CD1 3.63Å; C737-I742 HydrophobicContact CB-CD1 3.98Å; C737-I742 HydrophobicContact CB-CG1 4.45Å; C737-I742 WeakPolarHBondContact SG-CG1 3.49Å; D738-I742 PolarHBondContact O-N 2.8Å |
| 743 | A | 58.7 | Low | 75.1 | Confident | 48 Ų | 48 | 68 Ų | 68 | 40% | 0.397 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.4 | -31.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S739 | S739-A743 WeakPolarHBondContact O-CB 3.29Å; S739-A743 PolarHBondContact O-N 3.1Å |
| 744 | N | 59.2 | Low | 74.9 | Confident | 106 Ų | 106 | 67.6 Ų | 67.6 | 57% | 0.567 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 6.9 | -174.2 | -74 | -44.7 | 0 | 0 | 0 | 114.9 | A740 D741 K746 | A740-N744 VanDerWaalsContact O-CB 3.31Å; A740-N744 WeakPolarHBondContact O-CB 3.48Å; A740-N744 PolarHBondContact O-N 3.04Å; A740-N744 PolarHBondContact O-ND2 2.77Å; D741-N744 PolarHBondContact O-N 2.69Å; N744-K746 HydrophobicContact CB-CG 4.33Å; N744-K746 PolarHBondContact O-N 2.98Å; N744-K746 VanDerWaalsContact O-N 3.14Å |
| 745 | N | 57.4 | Low | 74.9 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 29.8 | -175.5 | -60.3 | -77.9 | 0 | 0 | 0 | 113.8 | F699 D741 | F699-N745 HydrophobicContact CE2-CB 4.29Å; D741-N745 PolarHBondContact O-N 3.29Å |
| 746 | K | 60.1 | Low | 75 | Confident | 131 Ų | 131 | 70.6 Ų | 70.6 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 167.1 | 171.7 | -72.8 | -176.4 | -179 | 175.1 | 0 | 109.2 | D741 N744 C748 | D741-K746 PolarHBondContact O-N 2.66Å; N744-K746 HydrophobicContact CB-CG 4.33Å; N744-K746 PolarHBondContact O-N 2.98Å; N744-K746 VanDerWaalsContact O-N 3.14Å; K746-C748 PolarHBondContact O-N 3Å |
| 747 | R | 60.9 | Low | 75.3 | Confident | 210 Ų | 210 | 75.1 Ų | 75.1 | 79% | 0.792 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 118.4 | 170.9 | -166.4 | 179.3 | -175.4 | -176 | -3 | 107.2 | D704 Q749 | D704-R747 IonicContact OD1-NE 3.04Å; D704-R747 WeakPolarHBondContact OD2-CA 3.47Å; D704-R747 WeakPolarHBondContact OD2-CG 3.22Å; R747-Q749 PolarHBondContact O-N 3.21Å |
| 748 | C | 65.8 | Low | 76 | Confident | 13 Ų | 13 | 76 Ų | 76 | 9% | 0.088 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 122.3 | -174.9 | -71.7 | 0 | 0 | 0 | 0 | 108.7 | D704 D741 K746 F750 | D704-C748 PolarHBondContact OD2-N 2.98Å; D741-C748 HydrophobicContact CB-CB 4.5Å; K746-C748 PolarHBondContact O-N 3Å; C748-F750 HydrophobicContact CB-CD2 4.08Å; C748-F750 HydrophobicContact CB-CE2 3.42Å; C748-F750 VanDerWaalsContact CB-CE2 3.42Å; C748-F750 HydrophobicContact CB-CZ 3.87Å; C748-F750 WeakPolarHBondContact O-CD2 2.95Å; C748-F750 PolarHBondContact O-N 3.46Å |
| 749 | Q | 72.6 | Confident | 76.8 | Confident | 160 Ų | 160 | 79.4 Ų | 79.4 | 75% | 0.748 | 40% | 0.398 | S | S | * | . | trans | -82.4 | 109.2 | 170.9 | -168.1 | 169 | 3.7 | 0 | 0 | 108.7 | R747 | R747-Q749 PolarHBondContact O-N 3.21Š| ||
| 750 | F | 83.5 | Confident | 78.4 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | trans | -89.9 | 125.9 | 173.6 | -70.7 | -85 | 0 | 0 | 0 | 109.8 | F694 L706 W718 W735 Q736 C737 C748 | F694-F750 HydrophobicContact CD1-CZ 4.3Å; F694-F750 HydrophobicContact CD2-CE2 4.29Å; F694-F750 HydrophobicContact CE1-CE1 4.19Å; F694-F750 HydrophobicContact CE1-CE2 4.1Å; F694-F750 AromaticContact CE1-CZ 3.41Å; F694-F750 HydrophobicContact CE1-CZ 3.41Å; F694-F750 VanDerWaalsContact CE1-CZ 3.41Å; F694-F750 HydrophobicContact CE2-CD2 4.44Å; F694-F750 AromaticContact CE2-CE2 3.56Å; F694-F750 HydrophobicContact CE2-CE2 3.56Å; F694-F750 AromaticContact CE2-CZ 3.69Å; F694-F750 HydrophobicContact CE2-CZ 3.69Å; F694-F750 HydrophobicContact CZ-CD2 4.47Å; F694-F750 AromaticContact CZ-CE1 3.75Å; F694-F750 HydrophobicContact CZ-CE1 3.75Å; F694-F750 AromaticContact CZ-CE2 3.47Å; F694-F750 HydrophobicContact CZ-CE2 3.47Å; F694-F750 VanDerWaalsContact CZ-CE2 3.47Å; F694-F750 AromaticContact CZ-CZ 3.05Å; F694-F750 HydrophobicContact CZ-CZ 3.05Å; L706-F750 HydrophobicContact CB-CD2 4.42Å; L706-F750 HydrophobicContact CD1-CB 3.95Å; L706-F750 HydrophobicContact CD1-CG 4.4Å; L706-F750 HydrophobicContact CD2-CB 4.18Å; L706-F750 HydrophobicContact CD2-CD1 4.28Å; L706-F750 HydrophobicContact CD2-CD2 4.31Å; L706-F750 HydrophobicContact CD2-CG 3.99Å; W718-F750 HydrophobicContact CZ3-CE1 4.39Å; W735-F750 HydrophobicContact CB-CB 4.41Å; W735-F750 HydrophobicContact CB-CD1 4.02Å; W735-F750 HydrophobicContact CE3-CB 4.33Å; Q736-F750 WeakPolarHBondContact O-CA 3.41Å; C737-F750 HydrophobicContact CB-CD1 3.92Å; C737-F750 HydrophobicContact CB-CE1 3.53Å; C737-F750 HydrophobicContact CB-CZ 4.2Å; C748-F750 HydrophobicContact CB-CD2 4.08Å; C748-F750 HydrophobicContact CB-CE2 3.42Å; C748-F750 VanDerWaalsContact CB-CE2 3.42Å; C748-F750 HydrophobicContact CB-CZ 3.87Å; C748-F750 WeakPolarHBondContact O-CD2 2.95Å; C748-F750 PolarHBondContact O-N 3.46Å | ||
| 751 | Q | 89.4 | Confident | 80.2 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 62% | 0.617 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.4 | 173.6 | -177.7 | 177 | -4.4 | 0 | 0 | 109.4 | W735 Q736 L753 | W735-Q751 CarbonylContact C-O 3.6Å; W735-Q751 WeakPolarHBondContact CA-O 3.42Å; Q736-Q751 PolarHBondContact N-O 3.33Å; Q736-Q751 PolarHBondContact O-N 3.35Å; Q751-L753 PolarHBondContact O-N 3.14Å |
| 752 | L | 93.1 | Very high | 81.9 | Confident | 71 Ų | 71 | 73.7 Ų | 73.7 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 119.9 | 171.1 | -176 | 66 | 0 | 0 | 0 | 109.1 | K733 W735 | K733-L752 HydrophobicContact CB-CD1 3.69Å; K733-L752 HydrophobicContact CD-CD1 4.08Å; K733-L752 HydrophobicContact CG-CD1 3.91Å; W735-L752 HydrophobicContact CD2-CD1 4.22Å; W735-L752 HydrophobicContact CE3-CB 4.03Å; W735-L752 HydrophobicContact CE3-CD1 4.19Å; W735-L752 HydrophobicContact CH2-CB 4.44Å; W735-L752 HydrophobicContact CH2-CD1 4.04Å; W735-L752 HydrophobicContact CZ2-CD1 4.04Å; W735-L752 HydrophobicContact CZ3-CB 3.83Å; W735-L752 HydrophobicContact CZ3-CD1 4.11Å; W735-L752 HydrophobicContact CZ3-CG 4.49Å |
| 753 | L | 92.6 | Very high | 83.7 | Confident | 81 Ų | 81 | 73 Ų | 73 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -44.6 | 178.9 | -70.1 | -174.5 | 0 | 0 | 0 | 112.7 | Q722 V734 Q736 Q751 | Q722-L753 HydrophobicContact CG-CD1 4.28Å; V734-L753 HydrophobicContact CB-CB 4.42Å; V734-L753 HydrophobicContact CG1-CB 4.42Å; V734-L753 HydrophobicContact CG1-CD1 4.44Å; V734-L753 PolarHBondContact O-N 3.02Å; Q736-L753 HydrophobicContact CB-CD1 3.66Å; Q736-L753 HydrophobicContact CB-CD2 3.88Å; Q736-L753 HydrophobicContact CB-CG 3.67Å; Q736-L753 HydrophobicContact CG-CD1 4.37Å; Q751-L753 PolarHBondContact O-N 3.14Å |
| 754 | A | 93.7 | Very high | 85.6 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 12% | 0.116 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 155.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V734 F756 S791 | V734-A754 HydrophobicContact CB-CB 4.15Å; V734-A754 HydrophobicContact CG2-CB 4.02Å; V734-A754 PolarHBondContact N-O 2.95Å; A754-F756 HydrophobicContact CB-CE1 4.05Å; A754-F756 HydrophobicContact CB-CZ 4.21Å; A754-S791 WeakPolarHBondContact CB-OG 3.16Å |
| 755 | E | 96 | Very high | 87.4 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 123.8 | 177.7 | -174.3 | 162.1 | 176.4 | 0 | 0 | 108.5 | T731 V732 K733 | T731-E755 HydrophobicContact CG2-CG 4.34Å; T731-E755 WeakPolarHBondContact CG2-OE1 3.48Å; V732-E755 CarbonylContact O-C 3.57Å; V732-E755 WeakPolarHBondContact O-CA 3.46Å; K733-E755 VanDerWaalsContact CE-CD 3.42Å; K733-E755 VanDerWaalsContact CE-OE1 3.26Å; K733-E755 WeakPolarHBondContact CE-OE1 3.24Å; K733-E755 WeakPolarHBondContact CE-OE2 3.38Å; K733-E755 HydrophobicContact CG-CG 4.1Å; K733-E755 IonicContact NZ-OE1 3.95Å |
| 756 | F | 96.4 | Very high | 89.3 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111 | 179.2 | -49.2 | -45 | 0 | 0 | 0 | 109.1 | T731 V732 V734 A754 H758 L774 W786 | T731-F756 WeakPolarHBondContact CA-O 3.49Å; V732-F756 HydrophobicContact CB-CB 4.17Å; V732-F756 HydrophobicContact CB-CD2 3.94Å; V732-F756 HydrophobicContact CG1-CD2 4Å; V732-F756 PolarHBondContact N-O 3.21Å; V732-F756 PolarHBondContact O-N 3.37Å; V734-F756 HydrophobicContact CG2-CD2 4.48Å; V734-F756 HydrophobicContact CG2-CE2 3.64Å; V734-F756 HydrophobicContact CG2-CZ 3.85Å; A754-F756 HydrophobicContact CB-CE1 4.05Å; A754-F756 HydrophobicContact CB-CZ 4.21Å; F756-H758 PolarHBondContact O-CE1 2.85Å; F756-H758 PolarHBondContact O-ND1 2.61Å; F756-L774 HydrophobicContact CD2-CD2 3.49Å; F756-L774 VanDerWaalsContact CD2-CD2 3.49Å; F756-L774 HydrophobicContact CE2-CD2 3.47Å; F756-L774 VanDerWaalsContact CE2-CD2 3.47Å; F756-W786 HydrophobicContact CB-CD2 4.1Å; F756-W786 HydrophobicContact CB-CE3 4.21Å; F756-W786 HydrophobicContact CB-CH2 4.06Å; F756-W786 HydrophobicContact CB-CZ2 3.92Å; F756-W786 HydrophobicContact CB-CZ3 4.18Å; F756-W786 HydrophobicContact CD1-CD2 4.27Å; F756-W786 AromaticContact CD1-CE3 3.88Å; F756-W786 HydrophobicContact CD1-CE3 3.88Å; F756-W786 HydrophobicContact CD1-CZ3 4.22Å; F756-W786 HydrophobicContact CD2-CG 4.48Å; F756-W786 HydrophobicContact CG-CD2 4.06Å; F756-W786 HydrophobicContact CG-CE3 4.11Å; F756-W786 HydrophobicContact CG-CG 4.45Å; F756-W786 HydrophobicContact CG-CZ3 4.47Å |
| 757 | E | 96.8 | Very high | 91.1 | Very high | 151 Ų | 151 | 59.9 Ų | 59.9 | 71% | 0.706 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 143.1 | -177.6 | -64.3 | -178 | 175.8 | 0 | 0 | 111.5 | ||
| 758 | H | 96.9 | Very high | 92.7 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 9% | 0.093 | 25% | 0.25 | C | C | . | . | trans | -133.3 | 158.9 | 178.7 | -59.4 | 67.5 | 0 | 0 | 0 | 110.1 | S730 F756 A760 V762 S776 T778 W786 | S730-H758 VanDerWaalsContact CB-O 3.25Å; S730-H758 WeakPolarHBondContact CB-O 3.3Å; S730-H758 WeakPolarHBondContact O-CB 3.35Å; S730-H758 PolarHBondContact O-N 3.41Å; F756-H758 PolarHBondContact O-CE1 2.85Å; F756-H758 PolarHBondContact O-ND1 2.61Å; H758-A760 VanDerWaalsContact C-N 3.3Å; H758-A760 PolarHBondContact O-N 3.21Å; H758-V762 HydrophobicContact CB-CG2 4.1Å; H758-S776 WeakPolarHBondContact NE2-CB 3.39Å; H758-S776 PolarHBondContact NE2-OG 3.09Å; H758-T778 HydrophobicContact CB-CG2 4.15Å; H758-W786 AromaticContact CE1-CE2 3.99Å; H758-W786 AromaticContact CE1-CZ2 3.67Å; H758-W786 AromaticContact CE1-NE1 3.87Å; H758-W786 AromaticContact NE2-CE2 3.88Å; H758-W786 AromaticContact NE2-CZ2 3.69Å; H758-W786 AromaticContact NE2-NE1 3.49Å; H758-W786 PolarHBondContact NE2-NE1 3.03Å | ||
| 759 | E | 92.8 | Very high | 93.8 | Very high | 168 Ų | 168 | 53.3 Ų | 53.3 | 79% | 0.785 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -75.6 | -19.2 | 177.4 | -63.3 | -62.2 | 143.7 | 0 | 0 | 113.1 | ||
| 760 | A | 97.1 | Very high | 94.5 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -140.4 | 158.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H758 V762 D780 | H758-A760 VanDerWaalsContact C-N 3.3Å; H758-A760 PolarHBondContact O-N 3.21Å; A760-V762 PolarHBondContact O-N 2.94Å; A760-D780 HydrophobicContact CB-CB 3.9Å |
| 761 | G | 97.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 7% | 0.072 | 26% | 0.256 | C | S | . | . | trans | -54 | 130.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S730 T778 K779 | S730-G761 PolarHBondContact OG-N 2.88Å; G761-T778 WeakPolarHBondContact O-CA 3.25Å; G761-K779 WeakPolarHBondContact O-CG 3.06Å; G761-K779 PolarHBondContact O-N 3.31Å | ||
| 762 | V | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 124.3 | -176 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | S714 A726 S727 V732 H758 A760 I765 T778 | S714-V762 VanDerWaalsContact CB-O 3.32Å; S714-V762 WeakPolarHBondContact CB-O 3.48Å; S714-V762 PolarHBondContact OG-O 3.04Å; A726-V762 HydrophobicContact CB-CB 4.17Å; A726-V762 HydrophobicContact CB-CG1 3.78Å; S727-V762 PolarHBondContact O-N 3.11Å; V732-V762 HydrophobicContact CG2-CB 4.35Å; V732-V762 HydrophobicContact CG2-CG1 3.89Å; V732-V762 HydrophobicContact CG2-CG2 4.1Å; H758-V762 HydrophobicContact CB-CG2 4.1Å; A760-V762 PolarHBondContact O-N 2.94Å; V762-I765 HydrophobicContact CG1-CG2 4.08Å; V762-T778 HydrophobicContact CG2-CG2 4.44Å |
| 763 | N | 97.9 | Very high | 95 | Very high | 20 Ų | 20 | 42.2 Ų | 42.2 | 11% | 0.107 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -31.4 | -176.5 | -172.6 | 67.7 | 0 | 0 | 0 | 113.6 | S714 G777 K803 I804 H805 | S714-N763 WeakPolarHBondContact CB-O 3.31Å; S714-N763 PolarHBondContact OG-O 2.88Å; N763-G777 PolarHBondContact N-O 3Å; N763-K803 HydrophobicContact CB-CG 4.34Å; N763-K803 VanDerWaalsContact ND2-CE 3.26Å; N763-K803 WeakPolarHBondContact ND2-CE 3Å; N763-K803 WeakPolarHBondContact OD1-CE 3.42Å; N763-K803 PolarHBondContact OD1-NZ 3.2Å; N763-I804 WeakPolarHBondContact CB-O 3.45Å; N763-I804 PolarHBondContact ND2-O 2.83Å; N763-H805 PolarHBondContact ND2-O 2.78Å |
| 764 | T | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 153.9 | -178 | -172.8 | 0 | 0 | 0 | 0 | 111 | S776 G777 I804 D806 V807 | T764-S776 WeakPolarHBondContact O-CA 3.16Å; T764-G777 PolarHBondContact N-O 3.06Å; T764-G777 VanDerWaalsContact N-O 3.16Å; T764-G777 PolarHBondContact O-N 3.07Å; T764-I804 HydrophobicContact CG2-CG2 3.91Å; T764-D806 PolarHBondContact OG1-OD1 3.36Å; T764-V807 HydrophobicContact CG2-CB 4.25Å; T764-V807 HydrophobicContact CG2-CG1 3.9Å; T764-V807 HydrophobicContact CG2-CG2 3.67Å |
| 765 | I | 98.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.7 | 175.9 | 50.9 | 164.9 | 0 | 0 | 0 | 110.2 | K715 C717 A726 V732 V762 L774 V775 | K715-I765 HydrophobicContact CB-CG1 4.1Å; K715-I765 HydrophobicContact CG-CG1 4.27Å; C717-I765 HydrophobicContact CB-CD1 4.46Å; A726-I765 HydrophobicContact CB-CB 4.35Å; A726-I765 HydrophobicContact CB-CD1 3.95Å; A726-I765 HydrophobicContact CB-CG1 3.84Å; A726-I765 HydrophobicContact CB-CG2 3.66Å; V732-I765 HydrophobicContact CG1-CD1 4.37Å; V732-I765 HydrophobicContact CG1-CG2 4.33Å; V732-I765 HydrophobicContact CG2-CG2 3.73Å; V762-I765 HydrophobicContact CG1-CG2 4.08Å; I765-L774 HydrophobicContact CB-CD1 4.18Å; I765-V775 CarbonylContact C-O 3.51Å; I765-V775 VanDerWaalsContact CA-O 3.23Å; I765-V775 WeakPolarHBondContact CA-O 3.48Å |
| 766 | N | 97.8 | Very high | 95.6 | Very high | 49 Ų | 49 | 33.6 Ų | 33.6 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 149.8 | 173 | -163.3 | -103.7 | 0 | 0 | 0 | 111.5 | V775 V807 F809 | N766-V775 HydrophobicContact CB-CG1 3.82Å; N766-V775 PolarHBondContact N-O 2.87Å; N766-V775 WeakPolarHBondContact O-CG1 3.36Å; N766-V775 PolarHBondContact O-N 3.2Å; N766-V807 HydrophobicContact CB-CG2 4.26Å; N766-V807 VanDerWaalsContact CB-O 3.28Å; N766-V807 WeakPolarHBondContact CB-O 3.34Å; N766-F809 PolarHBondContact OD1-N 3.27Å |
| 767 | L | 96.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 11% | 0.11 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146 | 175.7 | -70.8 | 168.9 | 0 | 0 | 0 | 110.1 | C717 K719 Y724 L773 L774 T788 | C717-L767 HydrophobicContact CB-CD1 4.05Å; C717-L767 HydrophobicContact CB-CG 4.3Å; K719-L767 HydrophobicContact CB-CD1 3.65Å; K719-L767 HydrophobicContact CG-CD1 4.48Å; Y724-L767 HydrophobicContact CD1-CD2 4.43Å; Y724-L767 HydrophobicContact CD2-CD1 3.71Å; Y724-L767 HydrophobicContact CE1-CD2 4.15Å; Y724-L767 HydrophobicContact CE2-CD1 3.63Å; Y724-L767 HydrophobicContact CE2-CD2 4.23Å; Y724-L767 HydrophobicContact CG-CD1 4.4Å; L767-L773 WeakPolarHBondContact CA-O 3.47Å; L767-L774 HydrophobicContact CD2-CB 3.92Å; L767-L774 HydrophobicContact CD2-CD1 3.64Å; L767-L774 HydrophobicContact CD2-CG 4.42Å; L767-L774 HydrophobicContact CG-CD1 4.12Å; L767-T788 HydrophobicContact CD2-CG2 3.94Å |
| 768 | N | 94.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 26.3 Ų | 26.3 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | trans | -66.9 | 160.2 | 168 | 75.8 | -23.3 | 0 | 0 | 0 | 110.6 | A770 G771 T772 L773 F809 | N768-A770 PolarHBondContact O-N 2.99Å; N768-A770 VanDerWaalsContact O-N 3.08Å; N768-G771 PolarHBondContact O-N 2.89Å; N768-G771 WeakPolarHBondContact OD1-CA 3.24Å; N768-G771 PolarHBondContact OD1-N 3.46Å; N768-T772 PolarHBondContact ND2-OG1 2.79Å; N768-T772 PolarHBondContact OD1-N 3.4Å; N768-L773 HydrophobicContact CB-CB 4.28Å; N768-L773 PolarHBondContact N-O 3.3Å; N768-L773 PolarHBondContact OD1-N 2.92Å; N768-L773 PolarHBondContact OD1-O 3.34Å; N768-F809 HydrophobicContact CB-CB 4.22Å; N768-F809 HydrophobicContact CB-CD1 4.07Å; N768-F809 HydrophobicContact CB-CD2 3.83Å; N768-F809 HydrophobicContact CB-CE1 4.38Å; N768-F809 HydrophobicContact CB-CE2 4.14Å; N768-F809 HydrophobicContact CB-CG 3.78Å; N768-F809 HydrophobicContact CB-CZ 4.41Å; N768-F809 VanDerWaalsContact N-CD2 3.26Å | ||
| 769 | P | 88.6 | Confident | 95.8 | Very high | 78 Ų | 78 | 29.1 Ų | 29.1 | 51% | 0.506 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -34.2 | -178.9 | -31 | 37 | 0 | 0 | 0 | 114.9 | K719 S813 | K719-P769 PolarHBondContact NZ-O 3.23Å; P769-S813 WeakPolarHBondContact CD-OG 3.47Å |
| 770 | A | 87.7 | Confident | 96 | Very high | 60 Ų | 60 | 24 Ų | 24 | 50% | 0.496 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -17.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N768 T772 | N768-A770 PolarHBondContact O-N 2.99Å; N768-A770 VanDerWaalsContact O-N 3.08Å; A770-T772 HydrophobicContact CB-CG2 4.16Å; A770-T772 PolarHBondContact O-N 3.22Å |
| 771 | G | 89.6 | Confident | 96 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 9% | 0.093 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 74.6 | 6.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N768 T788 | N768-G771 PolarHBondContact O-N 2.89Å; N768-G771 WeakPolarHBondContact OD1-CA 3.24Å; N768-G771 PolarHBondContact OD1-N 3.46Å; G771-T788 PolarHBondContact O-OG1 2.82Å |
| 772 | T | 91.6 | Very high | 96 | Very high | 68 Ų | 68 | 23.2 Ų | 23.2 | 42% | 0.417 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -84.5 | -20.3 | -178.3 | 55.8 | 0 | 0 | 0 | 0 | 113.5 | N768 A770 T788 | N768-T772 PolarHBondContact ND2-OG1 2.79Å; N768-T772 PolarHBondContact OD1-N 3.4Å; A770-T772 HydrophobicContact CB-CG2 4.16Å; A770-T772 PolarHBondContact O-N 3.22Å; T772-T788 VanDerWaalsContact CA-OG1 3.28Å; T772-T788 WeakPolarHBondContact CA-OG1 3.47Å; T772-T788 PolarHBondContact O-N 3.48Å; T772-T788 PolarHBondContact O-OG1 2.88Å |
| 773 | L | 96.2 | Very high | 96 | Very high | 24 Ų | 24 | 23.2 Ų | 23.2 | 13% | 0.126 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.7 | -179.1 | -61.3 | 176.6 | 0 | 0 | 0 | 110.5 | L767 N768 W786 L794 F809 V830 | L767-L773 WeakPolarHBondContact CA-O 3.47Å; N768-L773 HydrophobicContact CB-CB 4.28Å; N768-L773 PolarHBondContact N-O 3.3Å; N768-L773 PolarHBondContact OD1-N 2.92Å; N768-L773 PolarHBondContact OD1-O 3.34Å; L773-W786 WeakPolarHBondContact CA-O 3.36Å; L773-L794 HydrophobicContact CD2-CD1 3.61Å; L773-F809 HydrophobicContact CB-CE1 4.15Å; L773-F809 HydrophobicContact CB-CE2 4.39Å; L773-F809 HydrophobicContact CB-CZ 3.7Å; L773-F809 HydrophobicContact CD1-CE1 4.34Å; L773-V830 HydrophobicContact CD1-CG1 3.52Å |
| 774 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.2 | 173.1 | 175.9 | 82.3 | 0 | 0 | 0 | 108.7 | Y724 V732 F756 I765 L767 I785 W786 T788 | Y724-L774 HydrophobicContact CD1-CD1 4.17Å; Y724-L774 HydrophobicContact CD1-CD2 4.42Å; V732-L774 HydrophobicContact CG1-CD2 3.97Å; F756-L774 HydrophobicContact CD2-CD2 3.49Å; F756-L774 VanDerWaalsContact CD2-CD2 3.49Å; F756-L774 HydrophobicContact CE2-CD2 3.47Å; F756-L774 VanDerWaalsContact CE2-CD2 3.47Å; I765-L774 HydrophobicContact CB-CD1 4.18Å; L767-L774 HydrophobicContact CD2-CB 3.92Å; L767-L774 HydrophobicContact CD2-CD1 3.64Å; L767-L774 HydrophobicContact CD2-CG 4.42Å; L767-L774 HydrophobicContact CG-CD1 4.12Å; L774-I785 WeakPolarHBondContact O-CA 3.3Å; L774-W786 HydrophobicContact CB-CB 4.25Å; L774-W786 PolarHBondContact N-O 2.89Å; L774-W786 PolarHBondContact O-N 2.89Å; L774-T788 HydrophobicContact CB-CG2 3.72Å |
| 775 | V | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.9 | 166.8 | 63.3 | 0 | 0 | 0 | 0 | 109.5 | I765 N766 V783 T784 V807 F809 I816 | I765-V775 CarbonylContact C-O 3.51Å; I765-V775 VanDerWaalsContact CA-O 3.23Å; I765-V775 WeakPolarHBondContact CA-O 3.48Å; N766-V775 HydrophobicContact CB-CG1 3.82Å; N766-V775 PolarHBondContact N-O 2.87Å; N766-V775 WeakPolarHBondContact O-CG1 3.36Å; N766-V775 PolarHBondContact O-N 3.2Å; V775-V783 HydrophobicContact CG2-CG1 3.54Å; V775-T784 CarbonylContact C-O 3.54Å; V775-T784 WeakPolarHBondContact CA-O 3.3Å; V775-V807 HydrophobicContact CG1-CB 4.18Å; V775-V807 HydrophobicContact CG1-CG2 3.82Å; V775-V807 HydrophobicContact CG2-CB 4.39Å; V775-V807 HydrophobicContact CG2-CG2 4.38Å; V775-F809 HydrophobicContact CB-CD2 4.46Å; V775-F809 HydrophobicContact CB-CE2 3.7Å; V775-F809 HydrophobicContact CB-CZ 3.84Å; V775-F809 HydrophobicContact CG1-CD2 3.81Å; V775-F809 HydrophobicContact CG1-CE2 3.48Å; V775-F809 VanDerWaalsContact CG1-CE2 3.48Å; V775-F809 HydrophobicContact CG1-CZ 4.1Å; V775-I816 HydrophobicContact CB-CD1 3.97Å; V775-I816 HydrophobicContact CB-CG1 4.34Å; V775-I816 HydrophobicContact CG2-CD1 3.76Å; V775-I816 HydrophobicContact CG2-CG1 4.25Å; V775-I816 HydrophobicContact CG2-CG2 3.93Å |
| 776 | S | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.8 | 173 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | H758 T764 V783 T784 W786 | H758-S776 WeakPolarHBondContact NE2-CB 3.39Å; H758-S776 PolarHBondContact NE2-OG 3.09Å; T764-S776 WeakPolarHBondContact O-CA 3.16Å; S776-V783 CarbonylContact O-C 3.06Å; S776-V783 VanDerWaalsContact O-CA 3.29Å; S776-V783 WeakPolarHBondContact O-CA 3.32Å; S776-T784 PolarHBondContact N-O 3.09Å; S776-T784 PolarHBondContact O-N 3.32Å; S776-T784 WeakPolarHBondContact OG-CB 3.43Å; S776-T784 PolarHBondContact OG-O 3.44Å; S776-W786 PolarHBondContact OG-NE1 2.99Å |
| 777 | G | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | N763 T764 T782 | N763-G777 PolarHBondContact N-O 3Å; T764-G777 PolarHBondContact N-O 3.06Å; T764-G777 VanDerWaalsContact N-O 3.16Å; T764-G777 PolarHBondContact O-N 3.07Å; G777-T782 WeakPolarHBondContact CA-O 3.27Å |
| 778 | T | 98.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 170.1 | -171.6 | 56 | 0 | 0 | 0 | 0 | 113.6 | H758 G761 V762 D780 G781 T782 I804 | H758-T778 HydrophobicContact CB-CG2 4.15Å; G761-T778 WeakPolarHBondContact O-CA 3.25Å; V762-T778 HydrophobicContact CG2-CG2 4.44Å; T778-D780 VanDerWaalsContact C-N 3.3Å; T778-D780 WeakPolarHBondContact CB-OD1 3.46Å; T778-D780 PolarHBondContact O-N 3.31Å; T778-D780 PolarHBondContact OG1-OD1 3.38Å; T778-G781 PolarHBondContact O-N 2.84Å; T778-T782 PolarHBondContact N-O 2.78Å; T778-T782 WeakPolarHBondContact OG1-CA 3.44Å; T778-T782 VanDerWaalsContact OG1-CB 3.31Å; T778-T782 WeakPolarHBondContact OG1-CB 3.43Å; T778-T782 PolarHBondContact OG1-N 2.75Å; T778-T782 PolarHBondContact OG1-O 3.1Å; T778-I804 PolarHBondContact O-N 3.46Å; T778-I804 VanDerWaalsContact O-N 3.09Å |
| 779 | K | 97.4 | Very high | 95 | Very high | 79 Ų | 79 | 26.8 Ų | 26.8 | 34% | 0.343 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.1 | 176.2 | -76.8 | 178.1 | -178.7 | 173.7 | 0 | 114.4 | W728 G761 K803 | W728-K779 VanDerWaalsContact CD1-CE 3.41Å; G761-K779 WeakPolarHBondContact O-CG 3.06Å; G761-K779 PolarHBondContact O-N 3.31Å; K779-K803 HydrophobicContact CG-CG 4.4Å; K779-K803 VanDerWaalsContact O-CA 3.25Å; K779-K803 WeakPolarHBondContact O-CA 3.42Å; K779-K803 PolarHBondContact O-N 2.94Å |
| 780 | D | 96.8 | Very high | 94.8 | Very high | 60 Ų | 60 | 26.1 Ų | 26.1 | 32% | 0.321 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.8 | 179.5 | 71.2 | -32.5 | 0 | 0 | 0 | 113.2 | A760 T778 T782 H798 | A760-D780 HydrophobicContact CB-CB 3.9Å; T778-D780 VanDerWaalsContact C-N 3.3Å; T778-D780 WeakPolarHBondContact CB-OD1 3.46Å; T778-D780 PolarHBondContact O-N 3.31Å; T778-D780 PolarHBondContact OG1-OD1 3.38Å; D780-T782 PolarHBondContact OD1-OG1 3.37Å; D780-T782 PolarHBondContact OD2-OG1 2.86Å; D780-T782 VanDerWaalsContact OD2-OG1 3.09Å; D780-H798 PolarHBondContact O-CE1 3.06Å |
| 781 | G | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 95.4 | 17.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T778 C799 H800 G802 I804 | T778-G781 PolarHBondContact O-N 2.84Å; G781-C799 PolarHBondContact O-N 3.23Å; G781-H800 WeakPolarHBondContact CA-O 3.41Å; G781-H800 PolarHBondContact O-N 2.8Å; G781-G802 WeakPolarHBondContact CA-O 3.08Å; G781-G802 PolarHBondContact N-O 2.9Å; G781-I804 VanDerWaalsContact C-CD1 3.4Å |
| 782 | T | 98.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 29 Ų | 29 | 5% | 0.049 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130 | 178.7 | -54.9 | 0 | 0 | 0 | 0 | 111.7 | G777 T778 D780 Q796 H798 I804 | G777-T782 WeakPolarHBondContact CA-O 3.27Å; T778-T782 PolarHBondContact N-O 2.78Å; T778-T782 WeakPolarHBondContact OG1-CA 3.44Å; T778-T782 VanDerWaalsContact OG1-CB 3.31Å; T778-T782 WeakPolarHBondContact OG1-CB 3.43Å; T778-T782 PolarHBondContact OG1-N 2.75Å; T778-T782 PolarHBondContact OG1-O 3.1Å; D780-T782 PolarHBondContact OD1-OG1 3.37Å; D780-T782 PolarHBondContact OD2-OG1 2.86Å; D780-T782 VanDerWaalsContact OD2-OG1 3.09Å; T782-Q796 HydrophobicContact CG2-CG 3.52Å; T782-H798 PolarHBondContact OG1-ND1 3.4Å; T782-I804 VanDerWaalsContact C-CD1 3.42Å; T782-I804 WeakPolarHBondContact O-CD1 3.49Å |
| 783 | V | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.7 | 168.6 | 170.7 | 0 | 0 | 0 | 0 | 108.8 | V775 S776 V797 C799 I804 V807 I816 I828 | V775-V783 HydrophobicContact CG2-CG1 3.54Å; S776-V783 CarbonylContact O-C 3.06Å; S776-V783 VanDerWaalsContact O-CA 3.29Å; S776-V783 WeakPolarHBondContact O-CA 3.32Å; V783-V797 PolarHBondContact N-O 3.48Å; V783-V797 PolarHBondContact O-N 2.75Å; V783-C799 WeakPolarHBondContact CG2-SG 3.25Å; V783-I804 HydrophobicContact CG2-CD1 3.6Å; V783-V807 HydrophobicContact CG2-CG1 4.35Å; V783-I816 HydrophobicContact CG1-CG2 4.41Å; V783-I828 HydrophobicContact CB-CD1 3.92Å; V783-I828 HydrophobicContact CG1-CD1 3.95Å; V783-I828 HydrophobicContact CG2-CD1 4.14Å |
| 784 | T | 98.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.9 | 176.7 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | V775 S776 W786 Q793 H795 Q796 | V775-T784 CarbonylContact C-O 3.54Å; V775-T784 WeakPolarHBondContact CA-O 3.3Å; S776-T784 PolarHBondContact N-O 3.09Å; S776-T784 PolarHBondContact O-N 3.32Å; S776-T784 WeakPolarHBondContact OG-CB 3.43Å; S776-T784 PolarHBondContact OG-O 3.44Å; T784-W786 HydrophobicContact CG2-CD2 4.19Å; T784-W786 HydrophobicContact CG2-CH2 4.39Å; T784-W786 HydrophobicContact CG2-CZ2 3.5Å; T784-W786 VanDerWaalsContact CG2-NE1 3.34Å; T784-Q793 HydrophobicContact CG2-CG 3.69Å; T784-H795 CarbonylContact C-O 3.17Å; T784-H795 WeakPolarHBondContact CA-O 3.14Å; T784-H795 WeakPolarHBondContact CG2-O 3.21Å; T784-Q796 HydrophobicContact CG2-CB 4.27Å |
| 785 | I | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.4 | 178.4 | -47.9 | 179.5 | 0 | 0 | 0 | 108.3 | L774 L794 H795 I816 V830 | L774-I785 WeakPolarHBondContact O-CA 3.3Å; I785-L794 HydrophobicContact CB-CB 4.5Å; I785-L794 HydrophobicContact CG2-CB 4.5Å; I785-L794 HydrophobicContact CG2-CD1 4.32Å; I785-L794 PolarHBondContact O-N 3.47Å; I785-H795 HydrophobicContact CB-CB 4.31Å; I785-H795 HydrophobicContact CD1-CB 4.1Å; I785-H795 HydrophobicContact CG1-CB 4.26Å; I785-H795 PolarHBondContact N-O 2.85Å; I785-H795 PolarHBondContact O-N 3.16Å; I785-I816 HydrophobicContact CD1-CD1 3.39Å; I785-I816 HydrophobicContact CG1-CD1 3.56Å; I785-V830 HydrophobicContact CG2-CG1 4.48Å |
| 786 | W | 96.3 | Very high | 94.1 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 141.1 | -177.2 | -54.1 | 86.1 | 0 | 0 | 0 | 110.5 | F756 H758 L773 L774 S776 T784 V792 Q793 | F756-W786 HydrophobicContact CB-CD2 4.1Å; F756-W786 HydrophobicContact CB-CE3 4.21Å; F756-W786 HydrophobicContact CB-CH2 4.06Å; F756-W786 HydrophobicContact CB-CZ2 3.92Å; F756-W786 HydrophobicContact CB-CZ3 4.18Å; F756-W786 HydrophobicContact CD1-CD2 4.27Å; F756-W786 AromaticContact CD1-CE3 3.88Å; F756-W786 HydrophobicContact CD1-CE3 3.88Å; F756-W786 HydrophobicContact CD1-CZ3 4.22Å; F756-W786 HydrophobicContact CD2-CG 4.48Å; F756-W786 HydrophobicContact CG-CD2 4.06Å; F756-W786 HydrophobicContact CG-CE3 4.11Å; F756-W786 HydrophobicContact CG-CG 4.45Å; F756-W786 HydrophobicContact CG-CZ3 4.47Å; H758-W786 AromaticContact CE1-CE2 3.99Å; H758-W786 AromaticContact CE1-CZ2 3.67Å; H758-W786 AromaticContact CE1-NE1 3.87Å; H758-W786 AromaticContact NE2-CE2 3.88Å; H758-W786 AromaticContact NE2-CZ2 3.69Å; H758-W786 AromaticContact NE2-NE1 3.49Å; H758-W786 PolarHBondContact NE2-NE1 3.03Å; L773-W786 WeakPolarHBondContact CA-O 3.36Å; L774-W786 HydrophobicContact CB-CB 4.25Å; L774-W786 PolarHBondContact N-O 2.89Å; L774-W786 PolarHBondContact O-N 2.89Å; S776-W786 PolarHBondContact OG-NE1 2.99Å; T784-W786 HydrophobicContact CG2-CD2 4.19Å; T784-W786 HydrophobicContact CG2-CH2 4.39Å; T784-W786 HydrophobicContact CG2-CZ2 3.5Å; T784-W786 VanDerWaalsContact CG2-NE1 3.34Å; W786-V792 WeakPolarHBondContact CA-O 3.47Å; W786-Q793 HydrophobicContact CD2-CB 4.49Å; W786-Q793 HydrophobicContact CE3-CB 3.8Å; W786-Q793 HydrophobicContact CE3-CG 4.48Å; W786-Q793 HydrophobicContact CH2-CB 4.02Å; W786-Q793 HydrophobicContact CH2-CG 4.35Å; W786-Q793 HydrophobicContact CZ3-CB 3.54Å; W786-Q793 HydrophobicContact CZ3-CG 4.29Å |
| 787 | D | 92.3 | Very high | 93.9 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 118.2 | 163.4 | -177.1 | -67.5 | 0 | 0 | 0 | 108.9 | S789 S790 S791 V792 L794 | D787-S789 VanDerWaalsContact C-N 3.33Å; D787-S789 WeakPolarHBondContact OD1-CA 3.21Å; D787-S789 WeakPolarHBondContact OD1-CB 3.49Å; D787-S789 PolarHBondContact OD1-N 2.46Å; D787-S789 PolarHBondContact OD1-OG 3.06Å; D787-S790 WeakPolarHBondContact CB-OG 3.26Å; D787-S790 PolarHBondContact OD1-N 2.99Å; D787-S790 PolarHBondContact OD1-OG 2.96Å; D787-S791 WeakPolarHBondContact O-CA 3.45Å; D787-S791 PolarHBondContact O-N 2.86Å; D787-V792 PolarHBondContact N-O 3.42Å; D787-V792 PolarHBondContact O-N 3.16Å; D787-L794 HydrophobicContact CB-CD1 4.21Å; D787-L794 HydrophobicContact CB-CD2 4.15Å; D787-L794 HydrophobicContact CB-CG 4.17Å |
| 788 | T | 89.9 | Confident | 93.8 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26 | -175 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | Y724 L767 G771 T772 L774 | Y724-T788 HydrophobicContact CE1-CG2 4.11Å; L767-T788 HydrophobicContact CD2-CG2 3.94Å; G771-T788 PolarHBondContact O-OG1 2.82Å; T772-T788 VanDerWaalsContact CA-OG1 3.28Å; T772-T788 WeakPolarHBondContact CA-OG1 3.47Å; T772-T788 PolarHBondContact O-N 3.48Å; T772-T788 PolarHBondContact O-OG1 2.88Å; L774-T788 HydrophobicContact CB-CG2 3.72Å |
| 789 | S | 86.6 | Confident | 93.5 | Very high | 99 Ų | 99 | 46.3 Ų | 46.3 | 69% | 0.692 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -38.8 | -176.1 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | D787 | D787-S789 VanDerWaalsContact C-N 3.33Å; D787-S789 WeakPolarHBondContact OD1-CA 3.21Å; D787-S789 WeakPolarHBondContact OD1-CB 3.49Å; D787-S789 PolarHBondContact OD1-N 2.46Å; D787-S789 PolarHBondContact OD1-OG 3.06Å |
| 790 | S | 85.9 | Confident | 93.4 | Very high | 64 Ų | 64 | 42.7 Ų | 42.7 | 45% | 0.448 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -11.4 | -179.7 | 60.3 | 0 | 0 | 0 | 0 | 113.1 | D787 V792 | D787-S790 WeakPolarHBondContact CB-OG 3.26Å; D787-S790 PolarHBondContact OD1-N 2.99Å; D787-S790 PolarHBondContact OD1-OG 2.96Å; S790-V792 PolarHBondContact O-N 2.94Å |
| 791 | S | 89.2 | Confident | 93.2 | Very high | 56 Ų | 56 | 44.8 Ų | 44.8 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 33 | -175.1 | -60 | 0 | 0 | 0 | 0 | 113.1 | A754 D787 | A754-S791 WeakPolarHBondContact CB-OG 3.16Å; D787-S791 WeakPolarHBondContact O-CA 3.45Å; D787-S791 PolarHBondContact O-N 2.86Å |
| 792 | V | 87.9 | Confident | 93 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 45% | 0.448 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.7 | -177.1 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | W786 D787 S790 L794 | W786-V792 WeakPolarHBondContact CA-O 3.47Å; D787-V792 PolarHBondContact N-O 3.42Å; D787-V792 PolarHBondContact O-N 3.16Å; S790-V792 PolarHBondContact O-N 2.94Å; V792-L794 PolarHBondContact O-N 2.94Å |
| 793 | Q | 94.8 | Very high | 93 | Very high | 81 Ų | 81 | 47.1 Ų | 47.1 | 38% | 0.379 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 121.4 | 167.8 | -174.7 | 174.1 | -69.7 | 0 | 0 | 109.8 | T784 W786 Q796 | T784-Q793 HydrophobicContact CG2-CG 3.69Å; W786-Q793 HydrophobicContact CD2-CB 4.49Å; W786-Q793 HydrophobicContact CE3-CB 3.8Å; W786-Q793 HydrophobicContact CE3-CG 4.48Å; W786-Q793 HydrophobicContact CH2-CB 4.02Å; W786-Q793 HydrophobicContact CH2-CG 4.35Å; W786-Q793 HydrophobicContact CZ3-CB 3.54Å; W786-Q793 HydrophobicContact CZ3-CG 4.29Å; Q793-Q796 VanDerWaalsContact NE2-OE1 3.13Å |
| 794 | L | 86.6 | Confident | 93 | Very high | 75 Ų | 75 | 47.1 Ų | 47.1 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -52.5 | 175.2 | -60 | -178.4 | 0 | 0 | 0 | 111 | L773 I785 D787 V792 | L773-L794 HydrophobicContact CD2-CD1 3.61Å; I785-L794 HydrophobicContact CB-CB 4.5Å; I785-L794 HydrophobicContact CG2-CB 4.5Å; I785-L794 HydrophobicContact CG2-CD1 4.32Å; I785-L794 PolarHBondContact O-N 3.47Å; D787-L794 HydrophobicContact CB-CD1 4.21Å; D787-L794 HydrophobicContact CB-CD2 4.15Å; D787-L794 HydrophobicContact CB-CG 4.17Å; V792-L794 PolarHBondContact O-N 2.94Å |
| 795 | H | 92.2 | Very high | 93 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 147 | -175.1 | -65.2 | -62.8 | 0 | 0 | 0 | 111.1 | T784 I785 V830 Q831 T832 | T784-H795 CarbonylContact C-O 3.17Å; T784-H795 WeakPolarHBondContact CA-O 3.14Å; T784-H795 WeakPolarHBondContact CG2-O 3.21Å; I785-H795 HydrophobicContact CB-CB 4.31Å; I785-H795 HydrophobicContact CD1-CB 4.1Å; I785-H795 HydrophobicContact CG1-CB 4.26Å; I785-H795 PolarHBondContact N-O 2.85Å; I785-H795 PolarHBondContact O-N 3.16Å; H795-V830 PolarHBondContact CD2-O 2.94Å; H795-Q831 PolarHBondContact NE2-O 3.38Å; H795-T832 VanDerWaalsContact CE1-C 3.47Å; H795-T832 PolarHBondContact CE1-O 3.17Å |
| 796 | Q | 95.4 | Very high | 92.9 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 120.5 | 174 | -177.1 | 178.3 | 7.8 | 0 | 0 | 108.9 | T782 T784 Q793 | T782-Q796 HydrophobicContact CG2-CG 3.52Å; T784-Q796 HydrophobicContact CG2-CB 4.27Å; Q793-Q796 VanDerWaalsContact NE2-OE1 3.13Å |
| 797 | V | 94.4 | Very high | 93 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 109.2 | -167 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | V783 C799 I828 G833 | V783-V797 PolarHBondContact N-O 3.48Å; V783-V797 PolarHBondContact O-N 2.75Å; V797-C799 HydrophobicContact CG1-CB 4.14Å; V797-C799 PolarHBondContact O-N 2.89Å; V797-C799 VanDerWaalsContact O-N 3.12Å; V797-I828 HydrophobicContact CB-CD1 4.25Å; V797-I828 HydrophobicContact CG1-CD1 4.24Å; V797-I828 HydrophobicContact CG2-CG2 4.4Å; V797-G833 WeakPolarHBondContact CG2-O 3.38Å |
| 798 | H | 95.6 | Very high | 93.3 | Very high | 124 Ų | 124 | 46.8 Ų | 46.8 | 57% | 0.574 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 97.4 | 170.9 | -168.7 | 80.7 | 0 | 0 | 0 | 109.2 | D780 T782 | D780-H798 PolarHBondContact O-CE1 3.06Å; T782-H798 PolarHBondContact OG1-ND1 3.4Å |
| 799 | C | 92.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | trans | -114.7 | -27.9 | -167.3 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | G781 V783 V797 K826 I828 M835 | G781-C799 PolarHBondContact O-N 3.23Å; V783-C799 WeakPolarHBondContact CG2-SG 3.25Å; V797-C799 HydrophobicContact CG1-CB 4.14Å; V797-C799 PolarHBondContact O-N 2.89Å; V797-C799 VanDerWaalsContact O-N 3.12Å; C799-K826 HydrophobicContact CB-CD 3.98Å; C799-K826 WeakPolarHBondContact O-CD 3.13Å; C799-K826 WeakPolarHBondContact O-CE 3.35Å; C799-K826 PolarHBondContact O-NZ 3.11Å; C799-I828 HydrophobicContact CB-CD1 4.31Å; C799-M835 HydrophobicContact CB-CE 3.34Å | ||
| 800 | H | 95.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | trans | -109.7 | 151.1 | 177.2 | -68.7 | -88.1 | 0 | 0 | 0 | 110.7 | G781 G802 I804 S818 D822 C824 | G781-H800 WeakPolarHBondContact CA-O 3.41Å; G781-H800 PolarHBondContact O-N 2.8Å; H800-G802 PolarHBondContact O-N 2.88Å; H800-I804 HydrophobicContact CB-CG1 4.23Å; H800-S818 PolarHBondContact NE2-OG 2.9Å; H800-D822 WeakPolarHBondContact CA-OD2 3.41Å; H800-D822 IonicContact CE1-OD1 2.81Å; H800-D822 IonicContact CG-OD1 3.91Å; H800-D822 IonicContact CG-OD2 3.35Å; H800-D822 IonicContact ND1-OD1 3.34Å; H800-D822 PolarHBondContact ND1-OD1 3.43Å; H800-D822 IonicContact ND1-OD2 3.07Å; H800-D822 PolarHBondContact ND1-OD2 3.01Å; H800-C824 PolarHBondContact CE1-O 2.87Å | ||
| 801 | S | 92.5 | Very high | 93.8 | Very high | 104 Ų | 104 | 42.4 Ų | 42.4 | 73% | 0.727 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -83.2 | 5.9 | 175.3 | 66.6 | 0 | 0 | 0 | 0 | 113.8 | D822 | S801-D822 WeakPolarHBondContact OG-CB 3.38Š|
| 802 | G | 94.1 | Very high | 93.4 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -162.3 | -170.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G781 H800 I804 | G781-G802 WeakPolarHBondContact CA-O 3.08Å; G781-G802 PolarHBondContact N-O 2.9Å; H800-G802 PolarHBondContact O-N 2.88Å; G802-I804 PolarHBondContact O-N 3.4Å |
| 803 | K | 97.1 | Very high | 93.3 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 19% | 0.191 | 23% | 0.228 | C | C | . | . | trans | -59.5 | 132.1 | -172.3 | 178.8 | -175.1 | 175.6 | 179.8 | 0 | 111.9 | N763 K779 G820 E821 | N763-K803 HydrophobicContact CB-CG 4.34Å; N763-K803 VanDerWaalsContact ND2-CE 3.26Å; N763-K803 WeakPolarHBondContact ND2-CE 3Å; N763-K803 WeakPolarHBondContact OD1-CE 3.42Å; N763-K803 PolarHBondContact OD1-NZ 3.2Å; K779-K803 HydrophobicContact CG-CG 4.4Å; K779-K803 VanDerWaalsContact O-CA 3.25Å; K779-K803 WeakPolarHBondContact O-CA 3.42Å; K779-K803 PolarHBondContact O-N 2.94Å; K803-G820 VanDerWaalsContact O-CA 3.27Å; K803-G820 WeakPolarHBondContact O-CA 3.24Å; K803-E821 HydrophobicContact CB-CG 3.9Å; K803-E821 VanDerWaalsContact CB-OE1 3.27Å; K803-E821 WeakPolarHBondContact CB-OE1 3.46Å; K803-E821 WeakPolarHBondContact CB-OE2 3.37Å; K803-E821 WeakPolarHBondContact CD-OE1 3.3Å; K803-E821 PolarHBondContact N-OE2 2.81Å; K803-E821 PolarHBondContact O-N 3.26Å | ||
| 804 | I | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.6 | 169.8 | -67 | 155 | 0 | 0 | 0 | 109 | N763 T764 T778 G781 T782 V783 H800 G802 V807 | N763-I804 WeakPolarHBondContact CB-O 3.45Å; N763-I804 PolarHBondContact ND2-O 2.83Å; T764-I804 HydrophobicContact CG2-CG2 3.91Å; T778-I804 PolarHBondContact O-N 3.46Å; T778-I804 VanDerWaalsContact O-N 3.09Å; G781-I804 VanDerWaalsContact C-CD1 3.4Å; T782-I804 VanDerWaalsContact C-CD1 3.42Å; T782-I804 WeakPolarHBondContact O-CD1 3.49Å; V783-I804 HydrophobicContact CG2-CD1 3.6Å; H800-I804 HydrophobicContact CB-CG1 4.23Å; G802-I804 PolarHBondContact O-N 3.4Å; I804-V807 HydrophobicContact CG2-CG1 3.54Å |
| 805 | H | 97.6 | Very high | 93 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 6% | 0.06 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -45.3 | -179.2 | -68 | -27.9 | 0 | 0 | 0 | 112.6 | N763 V819 E821 E844 Q845 R846 | N763-H805 PolarHBondContact ND2-O 2.78Å; H805-V819 HydrophobicContact CB-CG2 4.3Å; H805-V819 PolarHBondContact N-O 3.24Å; H805-E821 WeakPolarHBondContact CE1-CG 3.39Å; H805-E821 IonicContact CE1-OE1 3.02Å; H805-E844 IonicContact NE2-OE2 3.79Å; H805-Q845 PolarHBondContact CD2-O 2.76Å; H805-R846 PolarHBondContact CE1-NH1 3.46Å; H805-R846 VanDerWaalsContact CG-NH1 3.34Å; H805-R846 PolarHBondContact ND1-NH1 3Å; H805-R846 PolarHBondContact NE2-NH1 3.16Å |
| 806 | D | 97.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.1 | -179.4 | -145.2 | 15.3 | 0 | 0 | 0 | 111.6 | K715 T764 S818 V819 C847 F848 | K715-D806 IonicContact NZ-OD1 3.2Å; K715-D806 PolarHBondContact NZ-OD1 2.92Å; T764-D806 PolarHBondContact OG1-OD1 3.36Å; D806-S818 WeakPolarHBondContact O-CA 3.49Å; D806-V819 HydrophobicContact CB-CG2 3.9Å; D806-V819 PolarHBondContact N-O 2.93Å; D806-V819 PolarHBondContact O-N 3.14Å; D806-C847 WeakPolarHBondContact OD2-CA 3.23Å; D806-F848 HydrophobicContact CB-CD1 4Å; D806-F848 HydrophobicContact CB-CE1 3.91Å; D806-F848 PolarHBondContact OD2-N 2.6Å |
| 807 | V | 98 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 144.9 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | T764 N766 V775 V783 I804 L817 | T764-V807 HydrophobicContact CG2-CB 4.25Å; T764-V807 HydrophobicContact CG2-CG1 3.9Å; T764-V807 HydrophobicContact CG2-CG2 3.67Å; N766-V807 HydrophobicContact CB-CG2 4.26Å; N766-V807 VanDerWaalsContact CB-O 3.28Å; N766-V807 WeakPolarHBondContact CB-O 3.34Å; V775-V807 HydrophobicContact CG1-CB 4.18Å; V775-V807 HydrophobicContact CG1-CG2 3.82Å; V775-V807 HydrophobicContact CG2-CB 4.39Å; V775-V807 HydrophobicContact CG2-CG2 4.38Å; V783-V807 HydrophobicContact CG2-CG1 4.35Å; I804-V807 HydrophobicContact CG2-CG1 3.54Å; V807-L817 VanDerWaalsContact CA-O 3.28Å; V807-L817 WeakPolarHBondContact CA-O 3.28Å |
| 808 | A | 97.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 36 Ų | 36 | 13% | 0.132 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 146 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | I816 L817 F848 | A808-I816 WeakPolarHBondContact O-CA 3.11Å; A808-L817 PolarHBondContact N-O 3.43Å; A808-L817 PolarHBondContact O-N 3.32Å; A808-F848 HydrophobicContact CB-CE2 3.7Å; A808-F848 HydrophobicContact CB-CZ 3.71Å |
| 809 | F | 96.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 6% | 0.057 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 151.9 | 168 | -74.1 | -85.7 | 0 | 0 | 0 | 111.1 | N766 N768 L773 V775 H815 I816 V830 W850 | N766-F809 PolarHBondContact OD1-N 3.27Å; N768-F809 HydrophobicContact CB-CB 4.22Å; N768-F809 HydrophobicContact CB-CD1 4.07Å; N768-F809 HydrophobicContact CB-CD2 3.83Å; N768-F809 HydrophobicContact CB-CE1 4.38Å; N768-F809 HydrophobicContact CB-CE2 4.14Å; N768-F809 HydrophobicContact CB-CG 3.78Å; N768-F809 HydrophobicContact CB-CZ 4.41Å; N768-F809 VanDerWaalsContact N-CD2 3.26Å; L773-F809 HydrophobicContact CB-CE1 4.15Å; L773-F809 HydrophobicContact CB-CE2 4.39Å; L773-F809 HydrophobicContact CB-CZ 3.7Å; L773-F809 HydrophobicContact CD1-CE1 4.34Å; V775-F809 HydrophobicContact CB-CD2 4.46Å; V775-F809 HydrophobicContact CB-CE2 3.7Å; V775-F809 HydrophobicContact CB-CZ 3.84Å; V775-F809 HydrophobicContact CG1-CD2 3.81Å; V775-F809 HydrophobicContact CG1-CE2 3.48Å; V775-F809 VanDerWaalsContact CG1-CE2 3.48Å; V775-F809 HydrophobicContact CG1-CZ 4.1Å; F809-H815 CarbonylContact C-O 3.57Å; F809-H815 WeakPolarHBondContact CA-O 3.45Å; F809-I816 HydrophobicContact CD1-CD1 4.26Å; F809-I816 HydrophobicContact CD1-CG1 3.65Å; F809-I816 HydrophobicContact CE1-CD1 3.72Å; F809-I816 HydrophobicContact CE1-CG1 3.64Å; F809-I816 HydrophobicContact CG-CG1 4.24Å; F809-I816 HydrophobicContact CZ-CD1 4.09Å; F809-I816 HydrophobicContact CZ-CG1 4.23Å; F809-V830 HydrophobicContact CD1-CG2 3.81Å; F809-V830 HydrophobicContact CE1-CG1 4.11Å; F809-V830 HydrophobicContact CE1-CG2 3.66Å; F809-W850 PolarHBondContact O-NE1 3.35Å |
| 810 | S | 90.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | trans | -68.8 | 156.2 | 164.4 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | D812 S813 R814 H815 W850 | S810-D812 VanDerWaalsContact CB-OD1 3.29Å; S810-D812 WeakPolarHBondContact CB-OD1 3.31Å; S810-D812 PolarHBondContact O-N 3.05Å; S810-D812 VanDerWaalsContact O-N 3.17Å; S810-D812 PolarHBondContact OG-OD1 3.33Å; S810-S813 WeakPolarHBondContact O-CA 3.42Å; S810-S813 PolarHBondContact O-N 3.02Å; S810-R814 PolarHBondContact OG-N 3.07Å; S810-H815 PolarHBondContact N-O 3.42Å; S810-H815 PolarHBondContact OG-N 3.1Å; S810-H815 PolarHBondContact OG-O 2.98Å; S810-W850 VanDerWaalsContact N-CZ2 3.29Å | ||
| 811 | P | 85.8 | Confident | 93.7 | Very high | 79 Ų | 79 | 33.9 Ų | 33.9 | 51% | 0.513 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -31.6 | 179.1 | -26.4 | 35.2 | 0 | 0 | 0 | 114 | S813 D851 | P811-S813 VanDerWaalsContact C-N 3.28Å; P811-S813 PolarHBondContact O-N 3.17Å; P811-D851 WeakPolarHBondContact CD-O 3.38Å |
| 812 | D | 81.1 | Confident | 93.8 | Very high | 85 Ų | 85 | 30.2 Ų | 30.2 | 46% | 0.455 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -0.1 | 176.6 | 68.6 | -3.8 | 0 | 0 | 0 | 114 | S810 R814 | S810-D812 VanDerWaalsContact CB-OD1 3.29Å; S810-D812 WeakPolarHBondContact CB-OD1 3.31Å; S810-D812 PolarHBondContact O-N 3.05Å; S810-D812 VanDerWaalsContact O-N 3.17Å; S810-D812 PolarHBondContact OG-OD1 3.33Å; D812-R814 HydrophobicContact CB-CG 4.34Å; D812-R814 PolarHBondContact O-N 2.88Å; D812-R814 VanDerWaalsContact O-N 3.17Å; D812-R814 PolarHBondContact OD1-N 3.2Å; D812-R814 WeakPolarHBondContact OD2-CD 3.38Å |
| 813 | S | 85.8 | Confident | 93.8 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 20% | 0.196 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 60.4 | 12.7 | -176.6 | -48.5 | 0 | 0 | 0 | 0 | 115.8 | P769 S810 P811 V830 | P769-S813 WeakPolarHBondContact CD-OG 3.47Å; S810-S813 WeakPolarHBondContact O-CA 3.42Å; S810-S813 PolarHBondContact O-N 3.02Å; P811-S813 VanDerWaalsContact C-N 3.28Å; P811-S813 PolarHBondContact O-N 3.17Å; S813-V830 WeakPolarHBondContact O-CG2 3.32Å |
| 814 | R | 83.6 | Confident | 93.6 | Very high | 160 Ų | 160 | 29.1 Ų | 29.1 | 60% | 0.604 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -85.4 | -24.6 | -178.5 | -63.5 | -173.5 | -177.6 | -165.5 | 0.6 | 113.2 | S810 D812 V830 | S810-R814 PolarHBondContact OG-N 3.07Å; D812-R814 HydrophobicContact CB-CG 4.34Å; D812-R814 PolarHBondContact O-N 2.88Å; D812-R814 VanDerWaalsContact O-N 3.17Å; D812-R814 PolarHBondContact OD1-N 3.2Å; D812-R814 WeakPolarHBondContact OD2-CD 3.38Å; R814-V830 WeakPolarHBondContact O-CB 3.28Å; R814-V830 WeakPolarHBondContact O-CG2 3.46Å; R814-V830 PolarHBondContact O-N 3.11Å |
| 815 | H | 92.4 | Very high | 93.4 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 23% | 0.231 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.3 | -173 | -49 | 111 | 0 | 0 | 0 | 111.5 | F809 S810 V827 I828 I836 W850 | F809-H815 CarbonylContact C-O 3.57Å; F809-H815 WeakPolarHBondContact CA-O 3.45Å; S810-H815 PolarHBondContact N-O 3.42Å; S810-H815 PolarHBondContact OG-N 3.1Å; S810-H815 PolarHBondContact OG-O 2.98Å; H815-V827 HydrophobicContact CB-CG1 4.02Å; H815-I828 CarbonylContact C-O 3.58Å; H815-I828 WeakPolarHBondContact CA-O 3.26Å; H815-I836 WeakPolarHBondContact CD2-CD1 3.19Å; H815-W850 HydrophobicContact CB-CH2 3.76Å; H815-W850 HydrophobicContact CB-CZ2 4.43Å |
| 816 | I | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.6 | 169.5 | -73.5 | 156.1 | 0 | 0 | 0 | 107.6 | V775 V783 I785 A808 F809 V827 I828 V830 | V775-I816 HydrophobicContact CB-CD1 3.97Å; V775-I816 HydrophobicContact CB-CG1 4.34Å; V775-I816 HydrophobicContact CG2-CD1 3.76Å; V775-I816 HydrophobicContact CG2-CG1 4.25Å; V775-I816 HydrophobicContact CG2-CG2 3.93Å; V783-I816 HydrophobicContact CG1-CG2 4.41Å; I785-I816 HydrophobicContact CD1-CD1 3.39Å; I785-I816 HydrophobicContact CG1-CD1 3.56Å; A808-I816 WeakPolarHBondContact O-CA 3.11Å; F809-I816 HydrophobicContact CD1-CD1 4.26Å; F809-I816 HydrophobicContact CD1-CG1 3.65Å; F809-I816 HydrophobicContact CE1-CD1 3.72Å; F809-I816 HydrophobicContact CE1-CG1 3.64Å; F809-I816 HydrophobicContact CG-CG1 4.24Å; F809-I816 HydrophobicContact CZ-CD1 4.09Å; F809-I816 HydrophobicContact CZ-CG1 4.23Å; I816-V827 CarbonylContact O-C 3.54Å; I816-V827 WeakPolarHBondContact O-CA 3.45Å; I816-I828 HydrophobicContact CB-CB 4.41Å; I816-I828 PolarHBondContact N-O 2.61Å; I816-I828 PolarHBondContact O-N 3.45Å; I816-V830 HydrophobicContact CD1-CG2 3.79Å; I816-V830 HydrophobicContact CG1-CG2 3.77Å |
| 817 | L | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.6 | 166 | -178 | 63.2 | 0 | 0 | 0 | 109 | V807 A808 L825 K826 V827 F848 W850 V855 | V807-L817 VanDerWaalsContact CA-O 3.28Å; V807-L817 WeakPolarHBondContact CA-O 3.28Å; A808-L817 PolarHBondContact N-O 3.43Å; A808-L817 PolarHBondContact O-N 3.32Å; L817-L825 HydrophobicContact CD1-CB 4.13Å; L817-K826 CarbonylContact C-O 3.44Å; L817-K826 WeakPolarHBondContact CA-O 3.37Å; L817-V827 HydrophobicContact CD1-CG2 3.78Å; L817-F848 HydrophobicContact CB-CE2 3.82Å; L817-F848 HydrophobicContact CB-CZ 3.71Å; L817-F848 HydrophobicContact CD2-CD2 3.67Å; L817-F848 HydrophobicContact CD2-CE1 4.47Å; L817-F848 HydrophobicContact CD2-CE2 3.48Å; L817-F848 VanDerWaalsContact CD2-CE2 3.48Å; L817-F848 HydrophobicContact CD2-CG 4.28Å; L817-F848 HydrophobicContact CD2-CZ 3.92Å; L817-F848 HydrophobicContact CG-CD2 4.41Å; L817-F848 HydrophobicContact CG-CE1 4.26Å; L817-F848 HydrophobicContact CG-CE2 3.83Å; L817-F848 HydrophobicContact CG-CZ 3.74Å; L817-F848 VanDerWaalsContact O-CZ 3.32Å; L817-F848 WeakPolarHBondContact O-CZ 3.34Å; L817-W850 HydrophobicContact CB-CD2 3.8Å; L817-W850 HydrophobicContact CB-CE3 3.9Å; L817-W850 HydrophobicContact CB-CH2 3.66Å; L817-W850 HydrophobicContact CB-CZ2 3.55Å; L817-W850 HydrophobicContact CB-CZ3 3.84Å; L817-W850 HydrophobicContact CD2-CB 4.27Å; L817-W850 HydrophobicContact CD2-CD2 3.82Å; L817-W850 HydrophobicContact CD2-CE3 3.78Å; L817-W850 HydrophobicContact CD2-CG 4.07Å; L817-W850 HydrophobicContact CD2-CZ3 4.39Å; L817-W850 HydrophobicContact CG-CD2 4.46Å; L817-W850 HydrophobicContact CG-CE3 4.39Å; L817-V855 HydrophobicContact CD2-CB 4.29Å; L817-V855 HydrophobicContact CD2-CG1 3.81Å; L817-V855 HydrophobicContact CD2-CG2 3.42Å; L817-V855 VanDerWaalsContact CD2-CG2 3.42Å |
| 818 | S | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.9 | 172.2 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | H800 D806 L825 K826 | H800-S818 PolarHBondContact NE2-OG 2.9Å; D806-S818 WeakPolarHBondContact O-CA 3.49Å; S818-L825 CarbonylContact O-C 3.52Å; S818-L825 WeakPolarHBondContact O-CA 3.34Å; S818-K826 PolarHBondContact N-O 2.88Å; S818-K826 PolarHBondContact O-N 3.06Å; S818-K826 PolarHBondContact OG-O 3.1Å |
| 819 | V | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.8 | 174.8 | -57 | 0 | 0 | 0 | 0 | 110.3 | H805 D806 C824 L825 Q845 F848 | H805-V819 HydrophobicContact CB-CG2 4.3Å; H805-V819 PolarHBondContact N-O 3.24Å; D806-V819 HydrophobicContact CB-CG2 3.9Å; D806-V819 PolarHBondContact N-O 2.93Å; D806-V819 PolarHBondContact O-N 3.14Å; V819-C824 WeakPolarHBondContact CA-O 3.42Å; V819-L825 HydrophobicContact CG1-CB 4.23Å; V819-L825 HydrophobicContact CG1-CD2 4.03Å; V819-L825 HydrophobicContact CG1-CG 3.7Å; V819-Q845 HydrophobicContact CB-CB 4.06Å; V819-Q845 HydrophobicContact CG1-CB 4.19Å; V819-Q845 HydrophobicContact CG2-CB 4.35Å; V819-Q845 VanDerWaalsContact CG2-O 3.31Å; V819-Q845 WeakPolarHBondContact CG2-O 3.25Å; V819-F848 HydrophobicContact CB-CD1 4.46Å; V819-F848 HydrophobicContact CG1-CD1 3.75Å; V819-F848 HydrophobicContact CG1-CE1 4Å; V819-F848 HydrophobicContact CG2-CD1 3.8Å; V819-F848 HydrophobicContact CG2-CE1 4.08Å |
| 820 | G | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 176.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | K803 D822 S823 C824 | K803-G820 VanDerWaalsContact O-CA 3.27Å; K803-G820 WeakPolarHBondContact O-CA 3.24Å; G820-D822 PolarHBondContact O-N 2.86Å; G820-D822 VanDerWaalsContact O-N 3.16Å; G820-S823 PolarHBondContact O-N 2.91Å; G820-C824 PolarHBondContact N-O 2.91Å |
| 821 | E | 96.1 | Very high | 90.7 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 41% | 0.407 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -19.6 | 178.2 | -74.9 | 176.3 | 174 | 0 | 0 | 113.5 | K803 H805 S823 | K803-E821 HydrophobicContact CB-CG 3.9Å; K803-E821 VanDerWaalsContact CB-OE1 3.27Å; K803-E821 WeakPolarHBondContact CB-OE1 3.46Å; K803-E821 WeakPolarHBondContact CB-OE2 3.37Å; K803-E821 WeakPolarHBondContact CD-OE1 3.3Å; K803-E821 PolarHBondContact N-OE2 2.81Å; K803-E821 PolarHBondContact O-N 3.26Å; H805-E821 WeakPolarHBondContact CE1-CG 3.39Å; H805-E821 IonicContact CE1-OE1 3.02Å; E821-S823 PolarHBondContact O-N 2.84Å; E821-S823 VanDerWaalsContact O-N 3.15Å |
| 822 | D | 94.4 | Very high | 89.9 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 15% | 0.15 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 5.8 | 174.2 | 65.9 | -5.1 | 0 | 0 | 0 | 113.5 | H800 S801 G820 C824 Q840 | H800-D822 WeakPolarHBondContact CA-OD2 3.41Å; H800-D822 IonicContact CE1-OD1 2.81Å; H800-D822 IonicContact CG-OD1 3.91Å; H800-D822 IonicContact CG-OD2 3.35Å; H800-D822 IonicContact ND1-OD1 3.34Å; H800-D822 PolarHBondContact ND1-OD1 3.43Å; H800-D822 IonicContact ND1-OD2 3.07Å; H800-D822 PolarHBondContact ND1-OD2 3.01Å; S801-D822 WeakPolarHBondContact OG-CB 3.38Å; G820-D822 PolarHBondContact O-N 2.86Å; G820-D822 VanDerWaalsContact O-N 3.16Å; D822-C824 PolarHBondContact O-N 3.35Å; D822-C824 VanDerWaalsContact O-N 3.13Å; D822-C824 WeakPolarHBondContact OD1-CB 2.85Å; D822-C824 PolarHBondContact OD1-N 2.85Å; D822-Q840 PolarHBondContact O-NE2 2.67Å; D822-Q840 VanDerWaalsContact O-NE2 3.11Å |
| 823 | S | 93.8 | Very high | 89.7 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 16% | 0.161 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 57 | 24 | -176.4 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | G820 E821 Q840 A841 E844 | G820-S823 PolarHBondContact O-N 2.91Å; E821-S823 PolarHBondContact O-N 2.84Å; E821-S823 VanDerWaalsContact O-N 3.15Å; S823-Q840 PolarHBondContact O-NE2 3.38Å; S823-A841 WeakPolarHBondContact O-CB 3.47Å; S823-A841 PolarHBondContact O-N 2.84Å; S823-E844 WeakPolarHBondContact OG-CG 3.31Å; S823-E844 PolarHBondContact OG-N 2.55Å; S823-E844 VanDerWaalsContact OG-N 3.16Å |
| 824 | C | 92.1 | Very high | 89.2 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 148 | 174.8 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | H800 V819 G820 D822 K826 V839 Q840 | H800-C824 PolarHBondContact CE1-O 2.87Å; V819-C824 WeakPolarHBondContact CA-O 3.42Å; G820-C824 PolarHBondContact N-O 2.91Å; D822-C824 PolarHBondContact O-N 3.35Å; D822-C824 VanDerWaalsContact O-N 3.13Å; D822-C824 WeakPolarHBondContact OD1-CB 2.85Å; D822-C824 PolarHBondContact OD1-N 2.85Å; C824-K826 HydrophobicContact CB-CD 4.47Å; C824-K826 HydrophobicContact CB-CG 4.15Å; C824-V839 CarbonylContact C-O 3.52Å; C824-V839 WeakPolarHBondContact CA-O 3.42Å; C824-Q840 PolarHBondContact SG-OE1 2.87Å |
| 825 | L | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.8 | 161.9 | -60.7 | 84.7 | 0 | 0 | 0 | 107.9 | L817 S818 V819 S838 V839 A841 Q845 V855 L867 | L817-L825 HydrophobicContact CD1-CB 4.13Å; S818-L825 CarbonylContact O-C 3.52Å; S818-L825 WeakPolarHBondContact O-CA 3.34Å; V819-L825 HydrophobicContact CG1-CB 4.23Å; V819-L825 HydrophobicContact CG1-CD2 4.03Å; V819-L825 HydrophobicContact CG1-CG 3.7Å; L825-S838 CarbonylContact O-C 3.58Å; L825-S838 WeakPolarHBondContact O-CA 3.18Å; L825-V839 HydrophobicContact CB-CB 4.37Å; L825-V839 PolarHBondContact N-O 3.48Å; L825-V839 PolarHBondContact O-N 3.25Å; L825-A841 HydrophobicContact CD1-CB 3.68Å; L825-Q845 HydrophobicContact CD1-CG 3.92Å; L825-Q845 HydrophobicContact CG-CG 4.35Å; L825-V855 HydrophobicContact CD2-CG1 4.12Å; L825-L867 HydrophobicContact CD1-CD2 4.18Å; L825-L867 HydrophobicContact CD2-CD1 4.33Å; L825-L867 HydrophobicContact CD2-CD2 4.28Å |
| 826 | K | 93.7 | Very high | 88.4 | Confident | 27 Ų | 27 | 29.3 Ų | 29.3 | 12% | 0.117 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.7 | -174.7 | -61.8 | -175.9 | 179.6 | -134.6 | 0 | 110.9 | C799 L817 S818 C824 M835 S837 | C799-K826 HydrophobicContact CB-CD 3.98Å; C799-K826 WeakPolarHBondContact O-CD 3.13Å; C799-K826 WeakPolarHBondContact O-CE 3.35Å; C799-K826 PolarHBondContact O-NZ 3.11Å; L817-K826 CarbonylContact C-O 3.44Å; L817-K826 WeakPolarHBondContact CA-O 3.37Å; S818-K826 PolarHBondContact N-O 2.88Å; S818-K826 PolarHBondContact O-N 3.06Å; S818-K826 PolarHBondContact OG-O 3.1Å; C824-K826 HydrophobicContact CB-CD 4.47Å; C824-K826 HydrophobicContact CB-CG 4.15Å; K826-M835 HydrophobicContact CB-SD 4.48Å; K826-M835 HydrophobicContact CD-CE 3.77Å; K826-M835 HydrophobicContact CD-SD 3.87Å; K826-M835 HydrophobicContact CG-SD 4.29Å; K826-S837 CarbonylContact C-O 3.57Å; K826-S837 VanDerWaalsContact CA-O 3.25Å; K826-S837 WeakPolarHBondContact CA-O 3.41Å |
| 827 | V | 93.1 | Very high | 87.6 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | H815 I816 L817 M835 I836 S837 W850 L869 | H815-V827 HydrophobicContact CB-CG1 4.02Å; I816-V827 CarbonylContact O-C 3.54Å; I816-V827 WeakPolarHBondContact O-CA 3.45Å; L817-V827 HydrophobicContact CD1-CG2 3.78Å; V827-M835 CarbonylContact O-C 3.6Å; V827-I836 HydrophobicContact CB-CB 4.31Å; V827-I836 HydrophobicContact CG1-CB 4.19Å; V827-I836 HydrophobicContact CG1-CD1 4.08Å; V827-I836 WeakPolarHBondContact O-CA 3.33Å; V827-I836 PolarHBondContact O-N 3.45Å; V827-S837 PolarHBondContact N-O 3.19Å; V827-S837 PolarHBondContact O-N 3.06Å; V827-W850 HydrophobicContact CG1-CH2 4.32Å; V827-W850 HydrophobicContact CG2-CZ3 4.39Å; V827-L869 HydrophobicContact CG2-CD1 3.97Å; V827-L869 HydrophobicContact CG2-CD2 4.33Å |
| 828 | I | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136 | 179.8 | -60.7 | 169.3 | 0 | 0 | 0 | 108.8 | V783 V797 C799 H815 I816 M834 | V783-I828 HydrophobicContact CB-CD1 3.92Å; V783-I828 HydrophobicContact CG1-CD1 3.95Å; V783-I828 HydrophobicContact CG2-CD1 4.14Å; V797-I828 HydrophobicContact CB-CD1 4.25Å; V797-I828 HydrophobicContact CG1-CD1 4.24Å; V797-I828 HydrophobicContact CG2-CG2 4.4Å; C799-I828 HydrophobicContact CB-CD1 4.31Å; H815-I828 CarbonylContact C-O 3.58Å; H815-I828 WeakPolarHBondContact CA-O 3.26Å; I816-I828 HydrophobicContact CB-CB 4.41Å; I816-I828 PolarHBondContact N-O 2.61Å; I816-I828 PolarHBondContact O-N 3.45Å; I828-M834 CarbonylContact C-O 3.51Å; I828-M834 WeakPolarHBondContact CA-O 3.39Å |
| 829 | D | 85.4 | Confident | 86.7 | Confident | 31 Ų | 31 | 33 Ų | 33 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.6 | 172.1 | -176.7 | -101.6 | 0 | 0 | 0 | 110.4 | Q831 T832 G833 M834 I836 | D829-Q831 PolarHBondContact OD1-N 3.2Å; D829-Q831 VanDerWaalsContact OD1-N 3.1Å; D829-T832 VanDerWaalsContact CB-OG1 3.3Å; D829-T832 WeakPolarHBondContact CB-OG1 3.39Å; D829-T832 WeakPolarHBondContact OD1-CB 3.04Å; D829-T832 WeakPolarHBondContact OD1-CG2 3.31Å; D829-T832 PolarHBondContact OD1-N 3.34Å; D829-T832 PolarHBondContact OD1-OG1 2.69Å; D829-G833 WeakPolarHBondContact O-CA 3.5Å; D829-G833 PolarHBondContact O-N 2.6Å; D829-M834 PolarHBondContact N-O 2.65Å; D829-I836 HydrophobicContact CB-CD1 3.65Å; D829-I836 HydrophobicContact CB-CG1 3.91Å |
| 830 | V | 80.5 | Confident | 86.3 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -35.1 | -174.9 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | L773 I785 H795 F809 S813 R814 I816 | L773-V830 HydrophobicContact CD1-CG1 3.52Å; I785-V830 HydrophobicContact CG2-CG1 4.48Å; H795-V830 PolarHBondContact CD2-O 2.94Å; F809-V830 HydrophobicContact CD1-CG2 3.81Å; F809-V830 HydrophobicContact CE1-CG1 4.11Å; F809-V830 HydrophobicContact CE1-CG2 3.66Å; S813-V830 WeakPolarHBondContact O-CG2 3.32Å; R814-V830 WeakPolarHBondContact O-CB 3.28Å; R814-V830 WeakPolarHBondContact O-CG2 3.46Å; R814-V830 PolarHBondContact O-N 3.11Å; I816-V830 HydrophobicContact CD1-CG2 3.79Å; I816-V830 HydrophobicContact CG1-CG2 3.77Å |
| 831 | Q | 78.4 | Confident | 85.8 | Confident | 139 Ų | 139 | 39.3 Ų | 39.3 | 65% | 0.65 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -39.9 | -174.4 | -174.2 | 175.2 | -4.7 | 0 | 0 | 111.9 | H795 D829 | H795-Q831 PolarHBondContact NE2-O 3.38Å; D829-Q831 PolarHBondContact OD1-N 3.2Å; D829-Q831 VanDerWaalsContact OD1-N 3.1Å |
| 832 | T | 68.7 | Low | 85.4 | Confident | 59 Ų | 59 | 40.9 Ų | 40.9 | 36% | 0.362 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -17 | -173.3 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | H795 D829 M834 | H795-T832 VanDerWaalsContact CE1-C 3.47Å; H795-T832 PolarHBondContact CE1-O 3.17Å; D829-T832 VanDerWaalsContact CB-OG1 3.3Å; D829-T832 WeakPolarHBondContact CB-OG1 3.39Å; D829-T832 WeakPolarHBondContact OD1-CB 3.04Å; D829-T832 WeakPolarHBondContact OD1-CG2 3.31Å; D829-T832 PolarHBondContact OD1-N 3.34Å; D829-T832 PolarHBondContact OD1-OG1 2.69Å; T832-M834 HydrophobicContact CG2-CE 4.41Å; T832-M834 PolarHBondContact O-N 3.12Å; T832-M834 PolarHBondContact OG1-N 3.31Å |
| 833 | G | 76.8 | Confident | 85.3 | Confident | 11 Ų | 11 | 41 Ų | 41 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | trans | 71.5 | 11.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V797 D829 | V797-G833 WeakPolarHBondContact CG2-O 3.38Å; D829-G833 WeakPolarHBondContact O-CA 3.5Å; D829-G833 PolarHBondContact O-N 2.6Å | ||
| 834 | M | 74.2 | Confident | 85.3 | Confident | 79 Ų | 79 | 43 Ų | 43 | 39% | 0.389 | 23% | 0.226 | S | C | . | . | trans | -89 | 143.4 | -178.1 | -68.1 | -163.5 | -67.6 | 0 | 0 | 112.1 | E290 M293 I828 D829 T832 I836 | E290-M834 HydrophobicContact CB-CE 4.12Å; E290-M834 HydrophobicContact CB-SD 4.34Å; E290-M834 HydrophobicContact CG-CE 4.17Å; E290-M834 HydrophobicContact CG-SD 4.46Å; M293-M834 HydrophobicContact CE-CE 4.38Å; I828-M834 CarbonylContact C-O 3.51Å; I828-M834 WeakPolarHBondContact CA-O 3.39Å; D829-M834 PolarHBondContact N-O 2.65Å; T832-M834 HydrophobicContact CG2-CE 4.41Å; T832-M834 PolarHBondContact O-N 3.12Å; T832-M834 PolarHBondContact OG1-N 3.31Å; M834-I836 PolarHBondContact O-N 2.8Å | ||
| 835 | M | 84.4 | Confident | 85.5 | Confident | 65 Ų | 65 | 42.6 Ų | 42.6 | 32% | 0.32 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 110.7 | 171.5 | -171.8 | -178.3 | -53.9 | 0 | 0 | 109.8 | C799 K826 V827 | C799-M835 HydrophobicContact CB-CE 3.34Å; K826-M835 HydrophobicContact CB-SD 4.48Å; K826-M835 HydrophobicContact CD-CE 3.77Å; K826-M835 HydrophobicContact CD-SD 3.87Å; K826-M835 HydrophobicContact CG-SD 4.29Å; V827-M835 CarbonylContact O-C 3.6Å |
| 836 | I | 76.3 | Confident | 85.6 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 17% | 0.169 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -60.1 | 176 | -61.5 | 166.2 | 0 | 0 | 0 | 108.8 | L294 R298 H815 V827 D829 M834 | L294-I836 HydrophobicContact CD1-CG2 4.04Å; R298-I836 PolarHBondContact NH1-O 2.91Å; R298-I836 PolarHBondContact NH2-O 3.34Å; H815-I836 WeakPolarHBondContact CD2-CD1 3.19Å; V827-I836 HydrophobicContact CB-CB 4.31Å; V827-I836 HydrophobicContact CG1-CB 4.19Å; V827-I836 HydrophobicContact CG1-CD1 4.08Å; V827-I836 WeakPolarHBondContact O-CA 3.33Å; V827-I836 PolarHBondContact O-N 3.45Å; D829-I836 HydrophobicContact CB-CD1 3.65Å; D829-I836 HydrophobicContact CB-CG1 3.91Å; M834-I836 PolarHBondContact O-N 2.8Å |
| 837 | S | 79.6 | Confident | 85.7 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.063 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.3 | -171.4 | -162.9 | 0 | 0 | 0 | 0 | 111.8 | K826 V827 | K826-S837 CarbonylContact C-O 3.57Å; K826-S837 VanDerWaalsContact CA-O 3.25Å; K826-S837 WeakPolarHBondContact CA-O 3.41Å; V827-S837 PolarHBondContact N-O 3.19Å; V827-S837 PolarHBondContact O-N 3.06Å |
| 838 | S | 88.4 | Confident | 85.8 | Confident | 58 Ų | 58 | 44.1 Ų | 44.1 | 41% | 0.406 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 110.3 | 170.8 | -175.1 | 0 | 0 | 0 | 0 | 108 | L825 | L825-S838 CarbonylContact O-C 3.58Å; L825-S838 WeakPolarHBondContact O-CA 3.18Å |
| 839 | V | 86.7 | Confident | 86 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 117.5 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | C824 L825 A841 L867 L869 N872 | C824-V839 CarbonylContact C-O 3.52Å; C824-V839 WeakPolarHBondContact CA-O 3.42Å; L825-V839 HydrophobicContact CB-CB 4.37Å; L825-V839 PolarHBondContact N-O 3.48Å; L825-V839 PolarHBondContact O-N 3.25Å; V839-A841 PolarHBondContact O-N 2.95Å; V839-L867 HydrophobicContact CG1-CD2 4.41Å; V839-L869 HydrophobicContact CG2-CD2 4.26Å; V839-N872 HydrophobicContact CG2-CB 4.44Å; V839-N872 VanDerWaalsContact CG2-OD1 3.24Å; V839-N872 WeakPolarHBondContact CG2-OD1 3.31Å |
| 840 | Q | 88.1 | Confident | 86.4 | Confident | 127 Ų | 127 | 44.7 Ų | 44.7 | 59% | 0.593 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.8 | 171.3 | -172.7 | 70.2 | 52.8 | 0 | 0 | 108.8 | D822 S823 C824 | D822-Q840 PolarHBondContact O-NE2 2.67Å; D822-Q840 VanDerWaalsContact O-NE2 3.11Å; S823-Q840 PolarHBondContact O-NE2 3.38Å; C824-Q840 PolarHBondContact SG-OE1 2.87Å |
| 841 | A | 86.8 | Confident | 86.7 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | trans | -88.1 | 160.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S823 L825 V839 E843 Q845 | S823-A841 WeakPolarHBondContact O-CB 3.47Å; S823-A841 PolarHBondContact O-N 2.84Å; L825-A841 HydrophobicContact CD1-CB 3.68Å; V839-A841 PolarHBondContact O-N 2.95Å; A841-E843 WeakPolarHBondContact CB-O 3.09Å; A841-E843 PolarHBondContact O-N 2.89Å; A841-Q845 HydrophobicContact CB-CG 4.16Å | ||
| 842 | D | 86.8 | Confident | 86.9 | Confident | 120 Ų | 120 | 40.3 Ų | 40.3 | 64% | 0.642 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -70.4 | -14.7 | 177.5 | -60.4 | -61 | 0 | 0 | 0 | 113.1 | R877 | D842-R877 VanDerWaalsContact CB-NH2 3.31Å; D842-R877 IonicContact OD2-CZ 3.83Å; D842-R877 IonicContact OD2-NH2 3.64Å; D842-R877 PolarHBondContact OD2-NH2 3.19Å |
| 843 | E | 92.1 | Very high | 87.7 | Confident | 31 Ų | 31 | 41.5 Ų | 41.5 | 15% | 0.145 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -154.4 | 164.2 | 179.9 | 67.8 | -176.8 | 160.4 | 0 | 0 | 111 | A841 Q845 S861 Q865 | A841-E843 WeakPolarHBondContact CB-O 3.09Å; A841-E843 PolarHBondContact O-N 2.89Å; E843-Q845 VanDerWaalsContact CG-NE2 3.33Å; E843-Q845 PolarHBondContact O-N 2.82Å; E843-Q845 PolarHBondContact O-NE2 3.08Å; E843-S861 PolarHBondContact OE1-OG 2.87Å; E843-S861 WeakPolarHBondContact OE2-CA 3.12Å; E843-S861 WeakPolarHBondContact OE2-CB 3.47Å; E843-S861 PolarHBondContact OE2-N 3.35Å; E843-S861 PolarHBondContact OE2-OG 3.14Å; E843-Q865 PolarHBondContact OE1-NE2 3.2Å |
| 844 | E | 94.4 | Very high | 88.3 | Confident | 64 Ų | 64 | 42 Ų | 42 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | trans | -59 | 128.1 | 174.6 | -65.9 | 172.8 | -144.6 | 0 | 0 | 111.1 | H805 S823 G859 Q860 | H805-E844 IonicContact NE2-OE2 3.79Å; S823-E844 WeakPolarHBondContact OG-CG 3.31Å; S823-E844 PolarHBondContact OG-N 2.55Å; S823-E844 VanDerWaalsContact OG-N 3.16Å; E844-G859 CarbonylContact O-C 3.58Å; E844-G859 WeakPolarHBondContact O-CA 3.15Å; E844-Q860 HydrophobicContact CB-CB 4.14Å; E844-Q860 PolarHBondContact O-N 3.5Å | ||
| 845 | Q | 95 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 128.9 | 172.9 | -55.8 | -53.4 | -60.8 | 0 | 0 | 109.1 | H805 V819 L825 A841 E843 S857 | H805-Q845 PolarHBondContact CD2-O 2.76Å; V819-Q845 HydrophobicContact CB-CB 4.06Å; V819-Q845 HydrophobicContact CG1-CB 4.19Å; V819-Q845 HydrophobicContact CG2-CB 4.35Å; V819-Q845 VanDerWaalsContact CG2-O 3.31Å; V819-Q845 WeakPolarHBondContact CG2-O 3.25Å; L825-Q845 HydrophobicContact CD1-CG 3.92Å; L825-Q845 HydrophobicContact CG-CG 4.35Å; A841-Q845 HydrophobicContact CB-CG 4.16Å; E843-Q845 VanDerWaalsContact CG-NE2 3.33Å; E843-Q845 PolarHBondContact O-N 2.82Å; E843-Q845 PolarHBondContact O-NE2 3.08Å; Q845-S857 VanDerWaalsContact OE1-CB 3.28Å; Q845-S857 PolarHBondContact OE1-OG 2.81Å |
| 846 | R | 96.1 | Very high | 89.8 | Confident | 55 Ų | 55 | 35.2 Ų | 35.2 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -30.4 | -165.8 | -62.2 | -72.7 | -79 | 131.2 | 2.9 | 113.1 | H805 G858 A884 V885 | H805-R846 PolarHBondContact CE1-NH1 3.46Å; H805-R846 VanDerWaalsContact CG-NH1 3.34Å; H805-R846 PolarHBondContact ND1-NH1 3Å; H805-R846 PolarHBondContact NE2-NH1 3.16Å; R846-G858 PolarHBondContact N-O 3.24Å; R846-A884 HydrophobicContact CG-CB 4.32Å; R846-V885 WeakPolarHBondContact CB-O 3.47Å |
| 847 | C | 95.7 | Very high | 90.7 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 159.8 | 173.5 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | D806 S857 G858 V885 M888 | D806-C847 WeakPolarHBondContact OD2-CA 3.23Å; C847-S857 WeakPolarHBondContact O-CA 3.48Å; C847-G858 PolarHBondContact O-N 3.19Å; C847-V885 PolarHBondContact SG-O 2.77Å; C847-M888 HydrophobicContact CB-CB 4.46Å |
| 848 | F | 96.8 | Very high | 91.5 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 167.5 | 177.4 | 69.2 | -89.5 | 0 | 0 | 0 | 113.4 | D806 A808 L817 V819 W850 V855 L856 | D806-F848 HydrophobicContact CB-CD1 4Å; D806-F848 HydrophobicContact CB-CE1 3.91Å; D806-F848 PolarHBondContact OD2-N 2.6Å; A808-F848 HydrophobicContact CB-CE2 3.7Å; A808-F848 HydrophobicContact CB-CZ 3.71Å; L817-F848 HydrophobicContact CB-CE2 3.82Å; L817-F848 HydrophobicContact CB-CZ 3.71Å; L817-F848 HydrophobicContact CD2-CD2 3.67Å; L817-F848 HydrophobicContact CD2-CE1 4.47Å; L817-F848 HydrophobicContact CD2-CE2 3.48Å; L817-F848 VanDerWaalsContact CD2-CE2 3.48Å; L817-F848 HydrophobicContact CD2-CG 4.28Å; L817-F848 HydrophobicContact CD2-CZ 3.92Å; L817-F848 HydrophobicContact CG-CD2 4.41Å; L817-F848 HydrophobicContact CG-CE1 4.26Å; L817-F848 HydrophobicContact CG-CE2 3.83Å; L817-F848 HydrophobicContact CG-CZ 3.74Å; L817-F848 VanDerWaalsContact O-CZ 3.32Å; L817-F848 WeakPolarHBondContact O-CZ 3.34Å; V819-F848 HydrophobicContact CB-CD1 4.46Å; V819-F848 HydrophobicContact CG1-CD1 3.75Å; V819-F848 HydrophobicContact CG1-CE1 4Å; V819-F848 HydrophobicContact CG2-CD1 3.8Å; V819-F848 HydrophobicContact CG2-CE1 4.08Å; F848-W850 HydrophobicContact CD2-CB 4.29Å; F848-W850 HydrophobicContact CD2-CG 4.3Å; F848-W850 HydrophobicContact CE2-CB 4.48Å; F848-W850 AromaticContact CE2-CD1 3.73Å; F848-W850 HydrophobicContact CE2-CG 4Å; F848-V855 HydrophobicContact CB-CG1 3.94Å; F848-V855 HydrophobicContact CD2-CG1 4.23Å; F848-V855 HydrophobicContact CG-CG1 4.31Å; F848-L856 CarbonylContact C-O 3.59Å; F848-L856 VanDerWaalsContact CA-O 3.24Å; F848-L856 WeakPolarHBondContact CA-O 3.18Å; F848-L856 WeakPolarHBondContact CB-O 3.32Å |
| 849 | C | 94.9 | Very high | 91.8 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 17% | 0.169 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.6 | 160.3 | -64.8 | 0 | 0 | 0 | 0 | 108.5 | W610 L856 M888 M890 | W610-C849 HydrophobicContact CH2-CB 4.2Å; W610-C849 WeakPolarHBondContact CH2-O 3.31Å; C849-L856 PolarHBondContact N-O 3.19Å; C849-L856 PolarHBondContact O-N 3.42Å; C849-M888 HydrophobicContact CB-SD 4.36Å; C849-M890 HydrophobicContact CB-CE 3.91Å |
| 850 | W | 93.9 | Very high | 92.2 | Very high | 18 Ų | 18 | 33.3 Ų | 33.3 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 160.1 | -179.2 | 75.9 | -36.4 | 0 | 0 | 0 | 113 | W610 F809 S810 H815 L817 V827 F848 T854 V855 L869 | W610-W850 VanDerWaalsContact CH2-CA 3.46Å; F809-W850 PolarHBondContact O-NE1 3.35Å; S810-W850 VanDerWaalsContact N-CZ2 3.29Å; H815-W850 HydrophobicContact CB-CH2 3.76Å; H815-W850 HydrophobicContact CB-CZ2 4.43Å; L817-W850 HydrophobicContact CB-CD2 3.8Å; L817-W850 HydrophobicContact CB-CE3 3.9Å; L817-W850 HydrophobicContact CB-CH2 3.66Å; L817-W850 HydrophobicContact CB-CZ2 3.55Å; L817-W850 HydrophobicContact CB-CZ3 3.84Å; L817-W850 HydrophobicContact CD2-CB 4.27Å; L817-W850 HydrophobicContact CD2-CD2 3.82Å; L817-W850 HydrophobicContact CD2-CE3 3.78Å; L817-W850 HydrophobicContact CD2-CG 4.07Å; L817-W850 HydrophobicContact CD2-CZ3 4.39Å; L817-W850 HydrophobicContact CG-CD2 4.46Å; L817-W850 HydrophobicContact CG-CE3 4.39Å; V827-W850 HydrophobicContact CG1-CH2 4.32Å; V827-W850 HydrophobicContact CG2-CZ3 4.39Å; F848-W850 HydrophobicContact CD2-CB 4.29Å; F848-W850 HydrophobicContact CD2-CG 4.3Å; F848-W850 HydrophobicContact CE2-CB 4.48Å; F848-W850 AromaticContact CE2-CD1 3.73Å; F848-W850 HydrophobicContact CE2-CG 4Å; W850-T854 VanDerWaalsContact CA-O 3.24Å; W850-T854 WeakPolarHBondContact CA-O 3.49Å; W850-T854 WeakPolarHBondContact CB-O 3.29Å; W850-V855 HydrophobicContact CB-CB 4.4Å; W850-V855 HydrophobicContact CB-CG1 4.49Å; W850-V855 HydrophobicContact CB-CG2 3.96Å; W850-V855 HydrophobicContact CE3-CG2 4.36Å; W850-L869 HydrophobicContact CE3-CD1 3.61Å; W850-L869 HydrophobicContact CZ3-CD1 3.62Å |
| 851 | D | 86.8 | Confident | 92.4 | Very high | 45 Ų | 45 | 29.6 Ų | 29.6 | 24% | 0.241 | 16% | 0.158 | C | C | . | . | trans | -108.1 | 5 | 175.7 | 73.7 | -12.9 | 0 | 0 | 0 | 114.1 | W610 P811 N853 T854 | W610-D851 HydrophobicContact CD2-CB 3.9Å; W610-D851 HydrophobicContact CG-CB 3.89Å; W610-D851 HydrophobicContact CZ2-CB 4.26Å; P811-D851 WeakPolarHBondContact CD-O 3.38Å; D851-N853 PolarHBondContact OD1-N 3.4Å; D851-T854 PolarHBondContact N-O 3.14Å; D851-T854 PolarHBondContact OD1-N 3.42Å | ||
| 852 | G | 83.3 | Confident | 92.8 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 101.2 | -23.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 853 | N | 84.2 | Confident | 93.1 | Very high | 85 Ų | 85 | 26.7 Ų | 26.7 | 46% | 0.455 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -118 | -44.2 | 179.4 | -68.5 | -10.6 | 0 | 0 | 0 | 112.2 | D851 L869 | D851-N853 PolarHBondContact OD1-N 3.4Å; N853-L869 WeakPolarHBondContact O-CB 3.45Å; N853-L869 WeakPolarHBondContact O-CG 3.26Å; N853-L869 PolarHBondContact O-N 3.42Å |
| 854 | T | 89.5 | Confident | 93.2 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 14% | 0.135 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.3 | -178.2 | -49.9 | 0 | 0 | 0 | 0 | 109.9 | W610 I613 W850 D851 V866 L867 | W610-T854 HydrophobicContact CE3-CG2 4.08Å; W610-T854 HydrophobicContact CZ3-CG2 4.37Å; I613-T854 HydrophobicContact CG2-CG2 3.99Å; W850-T854 VanDerWaalsContact CA-O 3.24Å; W850-T854 WeakPolarHBondContact CA-O 3.49Å; W850-T854 WeakPolarHBondContact CB-O 3.29Å; D851-T854 PolarHBondContact N-O 3.14Å; D851-T854 PolarHBondContact OD1-N 3.42Å; T854-V866 HydrophobicContact CG2-CG1 3.79Å; T854-L867 CarbonylContact C-O 3.59Å; T854-L867 WeakPolarHBondContact CA-O 3.42Å |
| 855 | V | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.3 | 178.9 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | L817 L825 F848 W850 V866 L867 L869 | L817-V855 HydrophobicContact CD2-CB 4.29Å; L817-V855 HydrophobicContact CD2-CG1 3.81Å; L817-V855 HydrophobicContact CD2-CG2 3.42Å; L817-V855 VanDerWaalsContact CD2-CG2 3.42Å; L825-V855 HydrophobicContact CD2-CG1 4.12Å; F848-V855 HydrophobicContact CB-CG1 3.94Å; F848-V855 HydrophobicContact CD2-CG1 4.23Å; F848-V855 HydrophobicContact CG-CG1 4.31Å; W850-V855 HydrophobicContact CB-CB 4.4Å; W850-V855 HydrophobicContact CB-CG1 4.49Å; W850-V855 HydrophobicContact CB-CG2 3.96Å; W850-V855 HydrophobicContact CE3-CG2 4.36Å; V855-V866 CarbonylContact O-C 3.56Å; V855-V866 WeakPolarHBondContact O-CA 3.23Å; V855-L867 HydrophobicContact CB-CB 4.35Å; V855-L867 PolarHBondContact N-O 2.92Å; V855-L867 PolarHBondContact O-N 2.75Å; V855-L869 HydrophobicContact CG2-CD1 3.66Å; V855-L869 HydrophobicContact CG2-CD2 3.93Å; V855-L869 HydrophobicContact CG2-CG 3.74Å |
| 856 | L | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 106.6 | 163.1 | 178.1 | 68 | 0 | 0 | 0 | 107.8 | W610 I613 L616 F848 C849 L864 Q865 V866 M888 V897 | W610-L856 HydrophobicContact CH2-CB 4.34Å; W610-L856 HydrophobicContact CZ3-CB 4.11Å; I613-L856 HydrophobicContact CD1-CD2 4.38Å; I613-L856 HydrophobicContact CG1-CB 4.44Å; I613-L856 HydrophobicContact CG1-CD2 4.25Å; L616-L856 HydrophobicContact CD1-CD1 4.03Å; L616-L856 HydrophobicContact CD1-CD2 3.63Å; F848-L856 CarbonylContact C-O 3.59Å; F848-L856 VanDerWaalsContact CA-O 3.24Å; F848-L856 WeakPolarHBondContact CA-O 3.18Å; F848-L856 WeakPolarHBondContact CB-O 3.32Å; C849-L856 PolarHBondContact N-O 3.19Å; C849-L856 PolarHBondContact O-N 3.42Å; L856-L864 HydrophobicContact CD1-CB 4.2Å; L856-Q865 WeakPolarHBondContact CA-O 3.3Å; L856-V866 HydrophobicContact CD1-CG2 3.92Å; L856-M888 HydrophobicContact CD2-SD 4.02Å; L856-M888 HydrophobicContact CG-CE 4.44Å; L856-M888 HydrophobicContact CG-SD 4.08Å; L856-V897 HydrophobicContact CD2-CG1 4.14Å; L856-V897 HydrophobicContact CD2-CG2 3.93Å |
| 857 | S | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 151.3 | -178.6 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | Q845 C847 L864 Q865 L867 | Q845-S857 VanDerWaalsContact OE1-CB 3.28Å; Q845-S857 PolarHBondContact OE1-OG 2.81Å; C847-S857 WeakPolarHBondContact O-CA 3.48Å; S857-L864 CarbonylContact O-C 3.56Å; S857-L864 VanDerWaalsContact O-CA 3.28Å; S857-L864 WeakPolarHBondContact O-CA 3.3Å; S857-Q865 PolarHBondContact N-O 3.47Å; S857-Q865 PolarHBondContact O-N 2.81Å; S857-L867 VanDerWaalsContact OG-CD1 3.23Å; S857-L867 WeakPolarHBondContact OG-CD1 3.44Å |
| 858 | G | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | R846 C847 | R846-G858 PolarHBondContact N-O 3.24Å; C847-G858 PolarHBondContact O-N 3.19Å |
| 859 | G | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 167 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E844 S861 G862 H863 V885 | E844-G859 CarbonylContact O-C 3.58Å; E844-G859 WeakPolarHBondContact O-CA 3.15Å; G859-S861 VanDerWaalsContact C-N 3.3Å; G859-S861 PolarHBondContact O-N 3.41Å; G859-G862 PolarHBondContact O-N 3.49Å; G859-G862 VanDerWaalsContact O-N 3.14Å; G859-H863 PolarHBondContact N-O 3.11Å; G859-V885 PolarHBondContact O-N 3.35Å |
| 860 | Q | 95.2 | Very high | 89.7 | Confident | 72 Ų | 72 | 25.9 Ų | 25.9 | 34% | 0.336 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31.3 | 177 | -175.6 | 61.9 | 16.2 | 0 | 0 | 113.5 | E844 G862 A884 | E844-Q860 HydrophobicContact CB-CB 4.14Å; E844-Q860 PolarHBondContact O-N 3.5Å; Q860-G862 PolarHBondContact O-N 3.44Å; Q860-A884 VanDerWaalsContact O-CA 3.24Å; Q860-A884 WeakPolarHBondContact O-CA 3.42Å; Q860-A884 PolarHBondContact O-N 2.84Å |
| 861 | S | 93.5 | Very high | 88.3 | Confident | 49 Ų | 49 | 27.6 Ų | 27.6 | 34% | 0.343 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -9.9 | 174.7 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | E843 G859 H863 | E843-S861 PolarHBondContact OE1-OG 2.87Å; E843-S861 WeakPolarHBondContact OE2-CA 3.12Å; E843-S861 WeakPolarHBondContact OE2-CB 3.47Å; E843-S861 PolarHBondContact OE2-N 3.35Å; E843-S861 PolarHBondContact OE2-OG 3.14Å; G859-S861 VanDerWaalsContact C-N 3.3Å; G859-S861 PolarHBondContact O-N 3.41Å; S861-H863 PolarHBondContact OG-CD2 2.62Å |
| 862 | G | 93.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 91.8 | 1.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | G859 Q860 H881 G883 | G859-G862 PolarHBondContact O-N 3.49Å; G859-G862 VanDerWaalsContact O-N 3.14Å; Q860-G862 PolarHBondContact O-N 3.44Å; G862-H881 PolarHBondContact O-N 2.84Å; G862-G883 WeakPolarHBondContact CA-O 3.45Å |
| 863 | H | 94 | Very high | 87 | Confident | 64 Ų | 64 | 35.6 Ų | 35.6 | 30% | 0.296 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 144.5 | 172 | -62.5 | -41.9 | 0 | 0 | 0 | 111.8 | G859 S861 P879 | G859-H863 PolarHBondContact N-O 3.11Å; S861-H863 PolarHBondContact OG-CD2 2.62Å; H863-P879 WeakPolarHBondContact ND1-CA 3.29Å |
| 864 | L | 94.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 139.1 | 163 | -53.7 | -179.6 | 0 | 0 | 0 | 108.9 | L856 S857 R877 I878 V885 M888 T899 W909 | L856-L864 HydrophobicContact CD1-CB 4.2Å; S857-L864 CarbonylContact O-C 3.56Å; S857-L864 VanDerWaalsContact O-CA 3.28Å; S857-L864 WeakPolarHBondContact O-CA 3.3Å; L864-R877 CarbonylContact O-C 3.58Å; L864-R877 WeakPolarHBondContact O-CA 3.36Å; L864-I878 HydrophobicContact CB-CB 4.25Å; L864-I878 PolarHBondContact N-O 2.99Å; L864-I878 PolarHBondContact O-N 2.96Å; L864-V885 HydrophobicContact CD2-CG1 4.17Å; L864-V885 HydrophobicContact CD2-CG2 4.07Å; L864-M888 HydrophobicContact CD2-CE 3.92Å; L864-T899 HydrophobicContact CD1-CG2 4.18Å; L864-T899 HydrophobicContact CD2-CG2 4.02Å; L864-W909 HydrophobicContact CD1-CD2 4.08Å; L864-W909 HydrophobicContact CD1-CH2 4.22Å; L864-W909 HydrophobicContact CD1-CZ2 3.75Å; L864-W909 HydrophobicContact CG-CZ2 4.38Å |
| 865 | Q | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.3 | 179.3 | -54.8 | -168.6 | 2.9 | 0 | 0 | 109.3 | E843 L856 S857 L867 V874 R877 | E843-Q865 PolarHBondContact OE1-NE2 3.2Å; L856-Q865 WeakPolarHBondContact CA-O 3.3Å; S857-Q865 PolarHBondContact N-O 3.47Å; S857-Q865 PolarHBondContact O-N 2.81Å; Q865-L867 HydrophobicContact CB-CD1 3.83Å; Q865-V874 HydrophobicContact CB-CG1 4.47Å; Q865-R877 HydrophobicContact CG-CG 4.31Å |
| 866 | V | 91.9 | Very high | 85.6 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 120.8 | 168.8 | -178 | 0 | 0 | 0 | 0 | 107 | I613 T854 V855 L856 T875 T876 I878 | I613-V866 HydrophobicContact CG2-CB 4.38Å; I613-V866 HydrophobicContact CG2-CG1 3.49Å; I613-V866 VanDerWaalsContact CG2-CG1 3.49Å; I613-V866 HydrophobicContact CG2-CG2 3.92Å; T854-V866 HydrophobicContact CG2-CG1 3.79Å; V855-V866 CarbonylContact O-C 3.56Å; V855-V866 WeakPolarHBondContact O-CA 3.23Å; L856-V866 HydrophobicContact CD1-CG2 3.92Å; V866-T875 PolarHBondContact O-N 3.39Å; V866-T875 PolarHBondContact O-OG1 3.06Å; V866-T875 VanDerWaalsContact O-OG1 3.06Å; V866-T876 PolarHBondContact N-O 3.3Å; V866-T876 PolarHBondContact O-N 3.15Å; V866-I878 HydrophobicContact CG2-CD1 4.38Å |
| 867 | L | 87.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137.3 | 179.1 | -57.3 | 95.6 | 0 | 0 | 0 | 109.7 | L825 V839 T854 V855 S857 Q865 V874 | L825-L867 HydrophobicContact CD1-CD2 4.18Å; L825-L867 HydrophobicContact CD2-CD1 4.33Å; L825-L867 HydrophobicContact CD2-CD2 4.28Å; V839-L867 HydrophobicContact CG1-CD2 4.41Å; T854-L867 CarbonylContact C-O 3.59Å; T854-L867 WeakPolarHBondContact CA-O 3.42Å; V855-L867 HydrophobicContact CB-CB 4.35Å; V855-L867 PolarHBondContact N-O 2.92Å; V855-L867 PolarHBondContact O-N 2.75Å; S857-L867 VanDerWaalsContact OG-CD1 3.23Å; S857-L867 WeakPolarHBondContact OG-CD1 3.44Å; Q865-L867 HydrophobicContact CB-CD1 3.83Å; L867-V874 HydrophobicContact CD2-CG2 3.86Å; L867-V874 HydrophobicContact CG-CG2 4.15Å |
| 868 | D | 82.1 | Confident | 85.2 | Confident | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.5 | 168.5 | 167.7 | 22.1 | 0 | 0 | 0 | 108.6 | L870 S871 N872 K873 | D868-L870 VanDerWaalsContact C-N 3.27Å; D868-L870 PolarHBondContact O-N 3.35Å; D868-L870 WeakPolarHBondContact OD1-CB 3.24Å; D868-L870 PolarHBondContact OD1-N 3.05Å; D868-S871 WeakPolarHBondContact CB-OG 3.37Å; D868-S871 VanDerWaalsContact CG-OG 3.26Å; D868-S871 PolarHBondContact O-N 2.76Å; D868-S871 VanDerWaalsContact OD2-CB 3.3Å; D868-S871 WeakPolarHBondContact OD2-CB 3.34Å; D868-S871 PolarHBondContact OD2-N 3.23Å; D868-S871 PolarHBondContact OD2-OG 2.86Å; D868-N872 PolarHBondContact O-N 2.8Å; D868-K873 PolarHBondContact N-O 3.5Å |
| 869 | L | 76.4 | Confident | 84.9 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 10% | 0.099 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -18.9 | -177.6 | -64.1 | 174.1 | 0 | 0 | 0 | 112.7 | V827 V839 W850 N853 V855 N872 | V827-L869 HydrophobicContact CG2-CD1 3.97Å; V827-L869 HydrophobicContact CG2-CD2 4.33Å; V839-L869 HydrophobicContact CG2-CD2 4.26Å; W850-L869 HydrophobicContact CE3-CD1 3.61Å; W850-L869 HydrophobicContact CZ3-CD1 3.62Å; N853-L869 WeakPolarHBondContact O-CB 3.45Å; N853-L869 WeakPolarHBondContact O-CG 3.26Å; N853-L869 PolarHBondContact O-N 3.42Å; V855-L869 HydrophobicContact CG2-CD1 3.66Å; V855-L869 HydrophobicContact CG2-CD2 3.93Å; V855-L869 HydrophobicContact CG2-CG 3.74Å; L869-N872 PolarHBondContact O-OD1 2.57Å |
| 870 | L | 67.7 | Low | 84.7 | Confident | 108 Ų | 108 | 51.6 Ų | 51.6 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -40.1 | 175.8 | -65.4 | 173.3 | 0 | 0 | 0 | 111.4 | I567 D868 | I567-L870 HydrophobicContact CG2-CD2 4.31Å; D868-L870 VanDerWaalsContact C-N 3.27Å; D868-L870 PolarHBondContact O-N 3.35Å; D868-L870 WeakPolarHBondContact OD1-CB 3.24Å; D868-L870 PolarHBondContact OD1-N 3.05Å |
| 871 | S | 65.8 | Low | 84.7 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -6.5 | -178.9 | 61.4 | 0 | 0 | 0 | 0 | 114.1 | D868 K873 | D868-S871 WeakPolarHBondContact CB-OG 3.37Å; D868-S871 VanDerWaalsContact CG-OG 3.26Å; D868-S871 PolarHBondContact O-N 2.76Å; D868-S871 VanDerWaalsContact OD2-CB 3.3Å; D868-S871 WeakPolarHBondContact OD2-CB 3.34Å; D868-S871 PolarHBondContact OD2-N 3.23Å; D868-S871 PolarHBondContact OD2-OG 2.86Å; S871-K873 WeakPolarHBondContact O-CG 3.17Å; S871-K873 PolarHBondContact O-N 3.04Å |
| 872 | N | 69.6 | Low | 84.7 | Confident | 85 Ų | 85 | 51 Ų | 51 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 37.1 | -174.3 | -71.9 | -21.8 | 0 | 0 | 0 | 112.7 | V839 D868 L869 | V839-N872 HydrophobicContact CG2-CB 4.44Å; V839-N872 VanDerWaalsContact CG2-OD1 3.24Å; V839-N872 WeakPolarHBondContact CG2-OD1 3.31Å; D868-N872 PolarHBondContact O-N 2.8Å; L869-N872 PolarHBondContact O-OD1 2.57Å |
| 873 | K | 72.2 | Confident | 84.7 | Confident | 144 Ų | 144 | 51.7 Ų | 51.7 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.9 | -177.4 | -76.3 | 178.9 | -177 | -179.6 | 0 | 111.6 | D868 S871 T875 | D868-K873 PolarHBondContact N-O 3.5Å; S871-K873 WeakPolarHBondContact O-CG 3.17Å; S871-K873 PolarHBondContact O-N 3.04Å; K873-T875 PolarHBondContact O-N 3.29Å |
| 874 | V | 75.4 | Confident | 84.8 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 112.6 | 164 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | Q865 L867 R877 | Q865-V874 HydrophobicContact CB-CG1 4.47Å; L867-V874 HydrophobicContact CD2-CG2 3.86Å; L867-V874 HydrophobicContact CG-CG2 4.15Å; V874-R877 HydrophobicContact CG1-CG 4.03Å |
| 875 | T | 77.8 | Confident | 84.9 | Confident | 83 Ų | 83 | 48.7 Ų | 48.7 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -37 | -178.8 | 8.7 | 0 | 0 | 0 | 0 | 111 | V866 K873 | V866-T875 PolarHBondContact O-N 3.39Å; V866-T875 PolarHBondContact O-OG1 3.06Å; V866-T875 VanDerWaalsContact O-OG1 3.06Å; K873-T875 PolarHBondContact O-N 3.29Å |
| 876 | T | 85.3 | Confident | 85.1 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 143.5 | -175.5 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | A614 V866 I878 | A614-T876 HydrophobicContact CB-CG2 4.26Å; A614-T876 WeakPolarHBondContact CB-OG1 3.33Å; V866-T876 PolarHBondContact N-O 3.3Å; V866-T876 PolarHBondContact O-N 3.15Å; T876-I878 HydrophobicContact CG2-CG1 4.1Å |
| 877 | R | 90.1 | Very high | 85.3 | Confident | 119 Ų | 119 | 50.3 Ų | 50.3 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.3 | 168.7 | -66 | -171.8 | 179.6 | -175.1 | 2.1 | 109.8 | D842 L864 Q865 V874 | D842-R877 VanDerWaalsContact CB-NH2 3.31Å; D842-R877 IonicContact OD2-CZ 3.83Å; D842-R877 IonicContact OD2-NH2 3.64Å; D842-R877 PolarHBondContact OD2-NH2 3.19Å; L864-R877 CarbonylContact O-C 3.58Å; L864-R877 WeakPolarHBondContact O-CA 3.36Å; Q865-R877 HydrophobicContact CG-CG 4.31Å; V874-R877 HydrophobicContact CG1-CG 4.03Å |
| 878 | I | 92.1 | Very high | 85.7 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 9% | 0.087 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 113 | -177.7 | -55.3 | 166.5 | 0 | 0 | 0 | 107.8 | L616 L864 V866 T876 W909 | L616-I878 HydrophobicContact CB-CD1 3.92Å; L616-I878 HydrophobicContact CD1-CD1 4.48Å; L864-I878 HydrophobicContact CB-CB 4.25Å; L864-I878 PolarHBondContact N-O 2.99Å; L864-I878 PolarHBondContact O-N 2.96Å; V866-I878 HydrophobicContact CG2-CD1 4.38Å; T876-I878 HydrophobicContact CG2-CG1 4.1Å; I878-W909 HydrophobicContact CG2-CE3 4.39Å; I878-W909 HydrophobicContact CG2-CH2 4.13Å; I878-W909 HydrophobicContact CG2-CZ3 3.62Å |
| 879 | P | 91.6 | Very high | 86.4 | Confident | 96 Ų | 96 | 52.9 Ų | 52.9 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 137.1 | 178.5 | 29.5 | -33.3 | 0 | 0 | 0 | 111.3 | H863 | H863-P879 WeakPolarHBondContact ND1-CA 3.29Å |
| 880 | G | 90.1 | Very high | 87.2 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | trans | -147.5 | -80.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 881 | H | 95.4 | Very high | 88.2 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | trans | -82.5 | 158.2 | -177.7 | -71.6 | -89.1 | 0 | 0 | 0 | 111.7 | G862 G883 V885 T899 G901 D903 Q905 | G862-H881 PolarHBondContact O-N 2.84Å; H881-G883 VanDerWaalsContact CB-O 3.3Å; H881-G883 WeakPolarHBondContact CB-O 3.47Å; H881-V885 HydrophobicContact CB-CG2 4.33Å; H881-T899 PolarHBondContact NE2-OG1 2.87Å; H881-G901 PolarHBondContact CE1-N 3.35Å; H881-D903 VanDerWaalsContact CA-OD2 3.31Å; H881-D903 WeakPolarHBondContact CA-OD2 3.48Å; H881-D903 WeakPolarHBondContact CB-OD2 3.42Å; H881-D903 IonicContact CE1-OD1 3.52Å; H881-D903 IonicContact CG-OD1 2.89Å; H881-D903 IonicContact CG-OD2 3.69Å; H881-D903 VanDerWaalsContact ND1-CG 3.32Å; H881-D903 IonicContact ND1-OD1 2.84Å; H881-D903 PolarHBondContact ND1-OD1 3.35Å; H881-D903 IonicContact ND1-OD2 3.94Å; H881-D903 PolarHBondContact ND1-OD2 3.19Å; H881-Q905 PolarHBondContact CE1-O 3.32Å | ||
| 882 | S | 93 | Very high | 89.1 | Confident | 100 Ų | 100 | 54.3 Ų | 54.3 | 70% | 0.699 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -95.9 | 10.7 | 173.2 | 70 | 0 | 0 | 0 | 0 | 113.6 | D903 | S882-D903 PolarHBondContact N-OD2 3.33Å; S882-D903 VanDerWaalsContact OG-CB 3.28Å; S882-D903 WeakPolarHBondContact OG-CB 3.5Å |
| 883 | G | 93.3 | Very high | 89.8 | Confident | 15 Ų | 15 | 55 Ų | 55 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -162.2 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G862 H881 V885 | G862-G883 WeakPolarHBondContact CA-O 3.45Å; H881-G883 VanDerWaalsContact CB-O 3.3Å; H881-G883 WeakPolarHBondContact CB-O 3.47Å; G883-V885 PolarHBondContact O-N 3.31Å |
| 884 | A | 96.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -53.2 | 137.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R846 Q860 T886 G901 E902 | R846-A884 HydrophobicContact CG-CB 4.32Å; Q860-A884 VanDerWaalsContact O-CA 3.24Å; Q860-A884 WeakPolarHBondContact O-CA 3.42Å; Q860-A884 PolarHBondContact O-N 2.84Å; A884-T886 PolarHBondContact O-N 2.93Å; A884-G901 CarbonylContact O-C 3.52Å; A884-G901 WeakPolarHBondContact O-CA 3.44Å; A884-E902 HydrophobicContact CB-CG 3.99Å; A884-E902 PolarHBondContact O-N 2.72Å | ||
| 885 | V | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 105.2 | 175.8 | -171.7 | 0 | 0 | 0 | 0 | 109.1 | R846 C847 G859 L864 H881 G883 T899 G900 | R846-V885 WeakPolarHBondContact CB-O 3.47Å; C847-V885 PolarHBondContact SG-O 2.77Å; G859-V885 PolarHBondContact O-N 3.35Å; L864-V885 HydrophobicContact CD2-CG1 4.17Å; L864-V885 HydrophobicContact CD2-CG2 4.07Å; H881-V885 HydrophobicContact CB-CG2 4.33Å; G883-V885 PolarHBondContact O-N 3.31Å; V885-T899 HydrophobicContact CG1-CG2 4.21Å; V885-G900 CarbonylContact C-O 3.57Å |
| 886 | T | 96.3 | Very high | 91.7 | Very high | 30 Ų | 30 | 44.7 Ų | 44.7 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -21.5 | -168.2 | 44.1 | 0 | 0 | 0 | 0 | 114 | V629 A884 G900 E902 | V629-T886 VanDerWaalsContact O-CB 3.28Å; V629-T886 WeakPolarHBondContact O-CB 3.4Å; V629-T886 PolarHBondContact O-OG1 2.89Å; A884-T886 PolarHBondContact O-N 2.93Å; T886-G900 PolarHBondContact N-O 3.07Å; T886-G900 PolarHBondContact OG1-O 3.45Å; T886-E902 HydrophobicContact CG2-CG 3.63Å |
| 887 | A | 95.7 | Very high | 92.2 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 143.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I632 T899 G900 | I632-A887 HydrophobicContact CD1-CB 3.9Å; I632-A887 HydrophobicContact CG1-CB 4.03Å; A887-T899 CarbonylContact O-C 3.55Å; A887-T899 WeakPolarHBondContact O-CA 3.48Å; A887-G900 PolarHBondContact N-O 3.13Å; A887-G900 PolarHBondContact O-N 3.25Å |
| 888 | M | 96.6 | Very high | 92.5 | Very high | 30 Ų | 30 | 37 Ų | 37 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.8 | 176.6 | -171.3 | 175.9 | -52.8 | 0 | 0 | 109.5 | C847 C849 L856 L864 V897 I898 T899 | C847-M888 HydrophobicContact CB-CB 4.46Å; C849-M888 HydrophobicContact CB-SD 4.36Å; L856-M888 HydrophobicContact CD2-SD 4.02Å; L856-M888 HydrophobicContact CG-CE 4.44Å; L856-M888 HydrophobicContact CG-SD 4.08Å; L864-M888 HydrophobicContact CD2-CE 3.92Å; M888-V897 HydrophobicContact CG-CG1 3.84Å; M888-V897 HydrophobicContact SD-CG1 4.19Å; M888-I898 WeakPolarHBondContact CA-O 3.48Å; M888-T899 HydrophobicContact CE-CG2 4.3Å; M888-T899 HydrophobicContact CG-CG2 4.13Å |
| 889 | W | 95.7 | Very high | 92.7 | Very high | 66 Ų | 66 | 36.1 Ų | 36.1 | 25% | 0.25 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.1 | 171 | 179.7 | 90.6 | 0 | 0 | 0 | 109.1 | I632 V634 N891 V897 I898 | I632-W889 HydrophobicContact CB-CB 4.13Å; I632-W889 HydrophobicContact CG2-CB 3.79Å; I632-W889 HydrophobicContact CG2-CG 4.39Å; V634-W889 HydrophobicContact CB-CD2 4.16Å; V634-W889 HydrophobicContact CB-CE3 4.38Å; V634-W889 HydrophobicContact CB-CH2 3.9Å; V634-W889 HydrophobicContact CB-CZ2 3.68Å; V634-W889 HydrophobicContact CB-CZ3 4.26Å; V634-W889 HydrophobicContact CG1-CH2 3.99Å; V634-W889 HydrophobicContact CG1-CZ2 4.23Å; V634-W889 HydrophobicContact CG1-CZ3 4.33Å; V634-W889 HydrophobicContact CG2-CD2 3.5Å; V634-W889 HydrophobicContact CG2-CE3 3.64Å; V634-W889 HydrophobicContact CG2-CG 4.03Å; V634-W889 HydrophobicContact CG2-CH2 4.06Å; V634-W889 HydrophobicContact CG2-CZ2 3.97Å; V634-W889 HydrophobicContact CG2-CZ3 3.91Å; W889-N891 HydrophobicContact CH2-CB 3.52Å; W889-N891 HydrophobicContact CZ2-CB 4.34Å; W889-N891 HydrophobicContact CZ3-CB 3.84Å; W889-V897 CarbonylContact O-C 3.56Å; W889-V897 WeakPolarHBondContact O-CA 3.31Å; W889-I898 HydrophobicContact CE3-CD1 4.01Å; W889-I898 HydrophobicContact CE3-CG1 4.13Å; W889-I898 HydrophobicContact CZ3-CD1 4.3Å; W889-I898 PolarHBondContact N-O 3.45Å; W889-I898 PolarHBondContact O-N 3.06Å |
| 890 | M | 92.9 | Very high | 93 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.4 | 176.4 | -177 | 171.6 | 66.7 | 0 | 0 | 109.8 | W610 C849 C894 V897 | W610-M890 HydrophobicContact CH2-CE 3.93Å; W610-M890 HydrophobicContact CH2-SD 4.37Å; W610-M890 HydrophobicContact CZ2-CE 3.21Å; W610-M890 HydrophobicContact CZ2-SD 4.02Å; C849-M890 HydrophobicContact CB-CE 3.91Å; M890-C894 HydrophobicContact CE-CB 4.16Å; M890-C894 HydrophobicContact CG-CB 4.49Å; M890-C894 HydrophobicContact SD-CB 3.82Å; M890-V897 HydrophobicContact CB-CG2 4.29Å; M890-V897 HydrophobicContact CG-CG2 3.97Å; M890-V897 HydrophobicContact SD-CG2 4.14Å |
| 891 | N | 89.4 | Confident | 93.3 | Very high | 21 Ų | 21 | 30.2 Ų | 30.2 | 11% | 0.112 | 17% | 0.165 | C | C | . | . | trans | -73.9 | 163.7 | 176.9 | 70.4 | -33.3 | 0 | 0 | 0 | 112.3 | W889 Q893 C894 S895 T896 | W889-N891 HydrophobicContact CH2-CB 3.52Å; W889-N891 HydrophobicContact CZ2-CB 4.34Å; W889-N891 HydrophobicContact CZ3-CB 3.84Å; N891-Q893 PolarHBondContact ND2-OE1 3.4Å; N891-Q893 PolarHBondContact O-N 3.34Å; N891-Q893 VanDerWaalsContact O-N 3.17Å; N891-C894 PolarHBondContact O-N 3.37Å; N891-C894 PolarHBondContact OD1-N 3.35Å; N891-S895 PolarHBondContact ND2-OG 3.3Å; N891-S895 PolarHBondContact OD1-N 3.44Å; N891-T896 PolarHBondContact N-O 3.08Å; N891-T896 VanDerWaalsContact N-O 3.16Å; N891-T896 PolarHBondContact OD1-N 3.2Å; N891-T896 PolarHBondContact OD1-O 2.75Å; N891-T896 VanDerWaalsContact OD1-O 3.11Å | ||
| 892 | E | 84.3 | Confident | 93.4 | Very high | 153 Ų | 153 | 33.5 Ų | 33.5 | 72% | 0.715 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.4 | -179.6 | -66.5 | -176.3 | 169 | 0 | 0 | 114 | R606 C894 | R606-E892 VanDerWaalsContact CD-O 3.28Å; R606-E892 WeakPolarHBondContact CD-O 3.38Å; R606-E892 WeakPolarHBondContact CG-O 3.33Å; E892-C894 VanDerWaalsContact C-N 3.29Å |
| 893 | Q | 84.1 | Confident | 93.5 | Very high | 99 Ų | 99 | 29.6 Ų | 29.6 | 46% | 0.463 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 1.1 | 176.4 | -56 | 83.1 | 14.4 | 0 | 0 | 113.5 | N891 S895 | N891-Q893 PolarHBondContact ND2-OE1 3.4Å; N891-Q893 PolarHBondContact O-N 3.34Å; N891-Q893 VanDerWaalsContact O-N 3.17Å; Q893-S895 PolarHBondContact O-N 3.16Å |
| 894 | C | 88.4 | Confident | 93.6 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 55.8 | 21.9 | -179.4 | -49.7 | 0 | 0 | 0 | 0 | 114.8 | A609 W610 M890 N891 E892 | A609-C894 HydrophobicContact CB-CB 3.82Å; W610-C894 PolarHBondContact NE1-SG 3.31Å; M890-C894 HydrophobicContact CE-CB 4.16Å; M890-C894 HydrophobicContact CG-CB 4.49Å; M890-C894 HydrophobicContact SD-CB 3.82Å; N891-C894 PolarHBondContact O-N 3.37Å; N891-C894 PolarHBondContact OD1-N 3.35Å; E892-C894 VanDerWaalsContact C-N 3.29Å |
| 895 | S | 87.3 | Confident | 93.6 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 22% | 0.217 | 17% | 0.166 | C | C | . | . | trans | -102 | -16.6 | -173.9 | 63 | 0 | 0 | 0 | 0 | 113.8 | N891 Q893 L911 | N891-S895 PolarHBondContact ND2-OG 3.3Å; N891-S895 PolarHBondContact OD1-N 3.44Å; Q893-S895 PolarHBondContact O-N 3.16Å; S895-L911 WeakPolarHBondContact O-CB 3.2Å; S895-L911 PolarHBondContact O-N 2.96Å | ||
| 896 | T | 91 | Very high | 93.5 | Very high | 22 Ų | 22 | 34 Ų | 34 | 14% | 0.135 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.2 | 179.7 | -56.9 | 0 | 0 | 0 | 0 | 109 | N891 W909 | N891-T896 PolarHBondContact N-O 3.08Å; N891-T896 VanDerWaalsContact N-O 3.16Å; N891-T896 PolarHBondContact OD1-N 3.2Å; N891-T896 PolarHBondContact OD1-O 2.75Å; N891-T896 VanDerWaalsContact OD1-O 3.11Å; T896-W909 WeakPolarHBondContact CA-O 3.46Å |
| 897 | V | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.9 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | L616 L856 M888 W889 M890 T899 W909 | L616-V897 HydrophobicContact CD1-CG2 4.31Å; L616-V897 HydrophobicContact CD2-CB 4.36Å; L616-V897 HydrophobicContact CD2-CG2 4.01Å; L856-V897 HydrophobicContact CD2-CG1 4.14Å; L856-V897 HydrophobicContact CD2-CG2 3.93Å; M888-V897 HydrophobicContact CG-CG1 3.84Å; M888-V897 HydrophobicContact SD-CG1 4.19Å; W889-V897 CarbonylContact O-C 3.56Å; W889-V897 WeakPolarHBondContact O-CA 3.31Å; M890-V897 HydrophobicContact CB-CG2 4.29Å; M890-V897 HydrophobicContact CG-CG2 3.97Å; M890-V897 HydrophobicContact SD-CG2 4.14Å; V897-T899 HydrophobicContact CG1-CG2 4.07Å; V897-W909 HydrophobicContact CB-CB 4.11Å; V897-W909 PolarHBondContact N-O 3.41Å; V897-W909 WeakPolarHBondContact O-CA 2.93Å; V897-W909 WeakPolarHBondContact O-CB 3.22Å; V897-W909 PolarHBondContact O-N 3.01Å |
| 898 | I | 96.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.6 | 173.4 | -53.7 | 177 | 0 | 0 | 0 | 107.4 | I632 V634 V641 M888 W889 I906 I907 F908 | I632-I898 HydrophobicContact CD1-CG2 4.16Å; I632-I898 HydrophobicContact CG2-CB 4.43Å; I632-I898 HydrophobicContact CG2-CG2 4.2Å; V634-I898 HydrophobicContact CG2-CD1 3.82Å; V641-I898 HydrophobicContact CG1-CD1 4.24Å; V641-I898 HydrophobicContact CG2-CD1 3.76Å; M888-I898 WeakPolarHBondContact CA-O 3.48Å; W889-I898 HydrophobicContact CE3-CD1 4.01Å; W889-I898 HydrophobicContact CE3-CG1 4.13Å; W889-I898 HydrophobicContact CZ3-CD1 4.3Å; W889-I898 PolarHBondContact N-O 3.45Å; W889-I898 PolarHBondContact O-N 3.06Å; I898-I906 HydrophobicContact CG2-CG2 3.55Å; I898-I907 WeakPolarHBondContact CA-O 3.17Å; I898-F908 HydrophobicContact CD1-CD1 3.9Å; I898-F908 HydrophobicContact CD1-CE1 3.55Å; I898-F908 HydrophobicContact CD1-CZ 4.41Å; I898-F908 HydrophobicContact CG1-CD1 3.83Å; I898-F908 HydrophobicContact CG1-CE1 3.99Å; I898-F908 HydrophobicContact CG2-CE1 4.45Å |
| 899 | T | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.3 | 179.4 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | L864 H881 V885 A887 M888 V897 I906 I907 W909 | L864-T899 HydrophobicContact CD1-CG2 4.18Å; L864-T899 HydrophobicContact CD2-CG2 4.02Å; H881-T899 PolarHBondContact NE2-OG1 2.87Å; V885-T899 HydrophobicContact CG1-CG2 4.21Å; A887-T899 CarbonylContact O-C 3.55Å; A887-T899 WeakPolarHBondContact O-CA 3.48Å; M888-T899 HydrophobicContact CE-CG2 4.3Å; M888-T899 HydrophobicContact CG-CG2 4.13Å; V897-T899 HydrophobicContact CG1-CG2 4.07Å; T899-I906 CarbonylContact O-C 3.54Å; T899-I906 VanDerWaalsContact O-CA 3.3Å; T899-I906 WeakPolarHBondContact O-CA 2.99Å; T899-I907 PolarHBondContact N-O 2.63Å; T899-I907 PolarHBondContact O-N 3.34Å; T899-W909 PolarHBondContact OG1-NE1 2.86Å |
| 900 | G | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | V885 T886 A887 Q905 | V885-G900 CarbonylContact C-O 3.57Å; T886-G900 PolarHBondContact N-O 3.07Å; T886-G900 PolarHBondContact OG1-O 3.45Å; A887-G900 PolarHBondContact N-O 3.13Å; A887-G900 PolarHBondContact O-N 3.25Å; G900-Q905 WeakPolarHBondContact CA-O 3.19Å |
| 901 | G | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V629 H881 A884 D903 K904 Q905 | V629-G901 PolarHBondContact N-O 2.96Å; H881-G901 PolarHBondContact CE1-N 3.35Å; A884-G901 CarbonylContact O-C 3.52Å; A884-G901 WeakPolarHBondContact O-CA 3.44Å; G901-D903 PolarHBondContact O-N 2.84Å; G901-K904 PolarHBondContact O-N 3.04Å; G901-K904 VanDerWaalsContact O-N 3.14Å; G901-Q905 PolarHBondContact N-O 2.53Å |
| 902 | E | 96.7 | Very high | 91.9 | Very high | 78 Ų | 78 | 34.1 Ų | 34.1 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -20 | 172 | -69.7 | -175.3 | 174.9 | 0 | 0 | 112.8 | A628 A884 T886 K904 | A628-E902 HydrophobicContact CB-CB 4.41Å; A628-E902 HydrophobicContact CB-CG 4.15Å; A884-E902 HydrophobicContact CB-CG 3.99Å; A884-E902 PolarHBondContact O-N 2.72Å; T886-E902 HydrophobicContact CG2-CG 3.63Å; E902-K904 PolarHBondContact O-N 2.89Å; E902-K904 VanDerWaalsContact O-N 3.11Å |
| 903 | D | 95.7 | Very high | 90.4 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 9% | 0.091 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 1.6 | 172.2 | 67.2 | -0.3 | 0 | 0 | 0 | 114.1 | H881 S882 G901 Q905 | H881-D903 VanDerWaalsContact CA-OD2 3.31Å; H881-D903 WeakPolarHBondContact CA-OD2 3.48Å; H881-D903 WeakPolarHBondContact CB-OD2 3.42Å; H881-D903 IonicContact CE1-OD1 3.52Å; H881-D903 IonicContact CG-OD1 2.89Å; H881-D903 IonicContact CG-OD2 3.69Å; H881-D903 VanDerWaalsContact ND1-CG 3.32Å; H881-D903 IonicContact ND1-OD1 2.84Å; H881-D903 PolarHBondContact ND1-OD1 3.35Å; H881-D903 IonicContact ND1-OD2 3.94Å; H881-D903 PolarHBondContact ND1-OD2 3.19Å; S882-D903 PolarHBondContact N-OD2 3.33Å; S882-D903 VanDerWaalsContact OG-CB 3.28Å; S882-D903 WeakPolarHBondContact OG-CB 3.5Å; G901-D903 PolarHBondContact O-N 2.84Å; D903-Q905 HydrophobicContact CB-CG 4.42Å; D903-Q905 WeakPolarHBondContact O-CG 3.46Å; D903-Q905 PolarHBondContact O-N 3.44Å; D903-Q905 WeakPolarHBondContact OD1-CB 3.24Å; D903-Q905 PolarHBondContact OD1-N 3.17Å; D903-Q905 VanDerWaalsContact OD1-N 3.11Å |
| 904 | K | 95.6 | Very high | 90.7 | Very high | 55 Ų | 55 | 31.6 Ų | 31.6 | 24% | 0.239 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 74.4 | 15.6 | 174.2 | -41.9 | 166.6 | 175.7 | -142.2 | 0 | 112.1 | K623 K626 E627 G901 E902 | K623-K904 HydrophobicContact CG-CB 4.46Å; K626-K904 WeakPolarHBondContact O-CD 3.39Å; K626-K904 VanDerWaalsContact O-CE 3.29Å; K626-K904 WeakPolarHBondContact O-CE 3.41Å; K626-K904 PolarHBondContact O-NZ 3.11Å; E627-K904 VanDerWaalsContact CD-NZ 3.27Å; E627-K904 IonicContact OE1-NZ 3.56Å; E627-K904 PolarHBondContact OE1-NZ 3.14Å; E627-K904 IonicContact OE2-NZ 3.77Å; E627-K904 PolarHBondContact OE2-NZ 3.02Å; G901-K904 PolarHBondContact O-N 3.04Å; G901-K904 VanDerWaalsContact O-N 3.14Å; E902-K904 PolarHBondContact O-N 2.89Å; E902-K904 VanDerWaalsContact O-N 3.11Å |
| 905 | Q | 94.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 32.7 Ų | 32.7 | 23% | 0.234 | 18% | 0.177 | C | C | . | . | trans | -108.1 | 155.2 | -175.5 | -52.4 | -174.8 | 48.3 | 0 | 0 | 111.3 | T621 H622 K623 H881 G900 G901 D903 | T621-Q905 HydrophobicContact CG2-CB 4.31Å; H622-Q905 WeakPolarHBondContact O-CA 3.17Å; K623-Q905 HydrophobicContact CB-CG 4.19Å; K623-Q905 HydrophobicContact CG-CG 4.3Å; H881-Q905 PolarHBondContact CE1-O 3.32Å; G900-Q905 WeakPolarHBondContact CA-O 3.19Å; G901-Q905 PolarHBondContact N-O 2.53Å; D903-Q905 HydrophobicContact CB-CG 4.42Å; D903-Q905 WeakPolarHBondContact O-CG 3.46Å; D903-Q905 PolarHBondContact O-N 3.44Å; D903-Q905 WeakPolarHBondContact OD1-CB 3.24Å; D903-Q905 PolarHBondContact OD1-N 3.17Å; D903-Q905 VanDerWaalsContact OD1-N 3.11Å | ||
| 906 | I | 95.8 | Very high | 91 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.3 | 167.1 | -57.2 | 160.9 | 0 | 0 | 0 | 106.8 | T621 H622 I624 V629 T643 I898 T899 F908 | T621-I906 WeakPolarHBondContact CA-O 3.21Å; H622-I906 PolarHBondContact N-O 3.33Å; H622-I906 PolarHBondContact O-N 3.2Å; I624-I906 HydrophobicContact CD1-CD1 3.34Å; I624-I906 HydrophobicContact CG1-CD1 3.6Å; V629-I906 HydrophobicContact CG2-CG1 4.08Å; T643-I906 HydrophobicContact CG2-CD1 3.41Å; T643-I906 VanDerWaalsContact CG2-CD1 3.41Å; T643-I906 HydrophobicContact CG2-CG1 4.09Å; I898-I906 HydrophobicContact CG2-CG2 3.55Å; T899-I906 CarbonylContact O-C 3.54Å; T899-I906 VanDerWaalsContact O-CA 3.3Å; T899-I906 WeakPolarHBondContact O-CA 2.99Å; I906-F908 HydrophobicContact CG2-CE2 4.07Å |
| 907 | I | 95.9 | Very high | 91 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.1 | 179.2 | -56.1 | 179.9 | 0 | 0 | 0 | 109.2 | L618 S620 T621 I898 T899 W909 | L618-I907 HydrophobicContact CD1-CD1 4.38Å; L618-I907 HydrophobicContact CD1-CG2 3.69Å; L618-I907 HydrophobicContact CG-CG2 3.71Å; S620-I907 WeakPolarHBondContact O-CA 3.29Å; T621-I907 HydrophobicContact CG2-CG1 4.03Å; I898-I907 WeakPolarHBondContact CA-O 3.17Å; T899-I907 PolarHBondContact N-O 2.63Å; T899-I907 PolarHBondContact O-N 3.34Å; I907-W909 HydrophobicContact CB-CZ2 4.11Å; I907-W909 HydrophobicContact CD1-CZ2 4.17Å; I907-W909 HydrophobicContact CG2-CD2 4.04Å; I907-W909 VanDerWaalsContact CG2-CE2 3.4Å; I907-W909 HydrophobicContact CG2-CH2 4.25Å; I907-W909 HydrophobicContact CG2-CZ2 3.54Å |
| 908 | F | 94.4 | Very high | 90.8 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.1 | 173.9 | -69.6 | -97.9 | 0 | 0 | 0 | 109.4 | M619 S620 H622 V641 F653 I898 I906 | M619-F908 HydrophobicContact CB-CB 4.18Å; M619-F908 WeakPolarHBondContact CB-O 3.39Å; M619-F908 PolarHBondContact N-O 3.28Å; S620-F908 PolarHBondContact O-N 3.32Å; S620-F908 WeakPolarHBondContact OG-CD2 3.46Å; H622-F908 AromaticContact CD2-CD2 3.82Å; H622-F908 AromaticContact CD2-CE2 3.7Å; V641-F908 HydrophobicContact CB-CZ 4.45Å; V641-F908 HydrophobicContact CG2-CE1 3.8Å; V641-F908 HydrophobicContact CG2-CZ 3.91Å; F653-F908 HydrophobicContact CD1-CE2 4.24Å; F653-F908 AromaticContact CD1-CZ 3.91Å; F653-F908 HydrophobicContact CD1-CZ 3.91Å; F653-F908 HydrophobicContact CE1-CE2 4.08Å; F653-F908 HydrophobicContact CE1-CZ 4.05Å; I898-F908 HydrophobicContact CD1-CD1 3.9Å; I898-F908 HydrophobicContact CD1-CE1 3.55Å; I898-F908 HydrophobicContact CD1-CZ 4.41Å; I898-F908 HydrophobicContact CG1-CD1 3.83Å; I898-F908 HydrophobicContact CG1-CE1 3.99Å; I898-F908 HydrophobicContact CG2-CE1 4.45Å; I906-F908 HydrophobicContact CG2-CE2 4.07Å |
| 909 | W | 94.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.011 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 142.4 | 179.7 | -49 | 86.1 | 0 | 0 | 0 | 110.1 | L616 K617 L618 L864 I878 T896 V897 T899 I907 | L616-W909 HydrophobicContact CD2-CB 3.77Å; K617-W909 CarbonylContact O-C 3.56Å; K617-W909 VanDerWaalsContact O-CA 3.28Å; K617-W909 WeakPolarHBondContact O-CA 3.41Å; L618-W909 HydrophobicContact CB-CE3 3.98Å; L618-W909 HydrophobicContact CB-CH2 4.35Å; L618-W909 HydrophobicContact CB-CZ3 3.73Å; L618-W909 HydrophobicContact CD1-CH2 4.1Å; L618-W909 HydrophobicContact CD1-CZ3 4.32Å; L618-W909 HydrophobicContact CG-CZ3 4.41Å; L864-W909 HydrophobicContact CD1-CD2 4.08Å; L864-W909 HydrophobicContact CD1-CH2 4.22Å; L864-W909 HydrophobicContact CD1-CZ2 3.75Å; L864-W909 HydrophobicContact CG-CZ2 4.38Å; I878-W909 HydrophobicContact CG2-CE3 4.39Å; I878-W909 HydrophobicContact CG2-CH2 4.13Å; I878-W909 HydrophobicContact CG2-CZ3 3.62Å; T896-W909 WeakPolarHBondContact CA-O 3.46Å; V897-W909 HydrophobicContact CB-CB 4.11Å; V897-W909 PolarHBondContact N-O 3.41Å; V897-W909 WeakPolarHBondContact O-CA 2.93Å; V897-W909 WeakPolarHBondContact O-CB 3.22Å; V897-W909 PolarHBondContact O-N 3.01Å; T899-W909 PolarHBondContact OG1-NE1 2.86Å; I907-W909 HydrophobicContact CB-CZ2 4.11Å; I907-W909 HydrophobicContact CD1-CZ2 4.17Å; I907-W909 HydrophobicContact CG2-CD2 4.04Å; I907-W909 VanDerWaalsContact CG2-CE2 3.4Å; I907-W909 HydrophobicContact CG2-CH2 4.25Å; I907-W909 HydrophobicContact CG2-CZ2 3.54Å |
| 910 | K | 91.8 | Very high | 89.9 | Confident | 98 Ų | 98 | 40.4 Ų | 40.4 | 43% | 0.426 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 138.9 | 175.7 | -167.5 | 180 | 179.2 | -170.5 | 0 | 110.3 | K617 M619 | K617-K910 PolarHBondContact N-O 3.43Å; K617-K910 PolarHBondContact O-N 2.68Å; M619-K910 HydrophobicContact CG-CB 3.5Å; M619-K910 HydrophobicContact SD-CB 3.77Å; M619-K910 HydrophobicContact SD-CD 4.21Å |
| 911 | L | 87.5 | Confident | 89.3 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 127.2 | 171.4 | -152.6 | 95.5 | 0 | 0 | 0 | 109.4 | A609 N612 I613 L616 S895 C913 | A609-L911 HydrophobicContact CB-CD2 4.01Å; N612-L911 HydrophobicContact CB-CD2 3.98Å; N612-L911 HydrophobicContact CB-CG 4.43Å; N612-L911 WeakPolarHBondContact O-CD1 3.36Å; I613-L911 HydrophobicContact CD1-CD1 3.94Å; L616-L911 HydrophobicContact CD2-CD1 4.41Å; L616-L911 HydrophobicContact CG-CD1 4.18Å; S895-L911 WeakPolarHBondContact O-CB 3.2Å; S895-L911 PolarHBondContact O-N 2.96Å; L911-C913 PolarHBondContact O-N 3.01Å |
| 912 | D | 69.4 | Low | 88.7 | Confident | 76 Ų | 76 | 47.1 Ų | 47.1 | 41% | 0.406 | 25% | 0.25 | S | C | . | . | trans | -78.1 | 105.1 | 165.9 | -92 | 0.2 | 0 | 0 | 0 | 108.1 | K617 | K617-D912 VanDerWaalsContact CD-OD2 3.27Å; K617-D912 WeakPolarHBondContact CD-OD2 3.33Å; K617-D912 WeakPolarHBondContact CE-OD2 3.43Å; K617-D912 IonicContact NZ-OD2 2.73Å; K617-D912 PolarHBondContact NZ-OD2 3.11Å | ||
| 913 | C | 52.3 | Low | 88 | Confident | 166 Ų | 166 | 44.3 Ų | 44.3 | 100% | 1.122 | 24% | 0.239 | S | C | * | . | trans | -72.6 | 0 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | L911 | L911-C913 PolarHBondContact O-N 3.01Š|
Retrieved 913 of 913 residues in 2872.9 ms
(Link to these results)