| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.9 | Very low | 65.8 | Low | 235 Ų | 235 | 95.4 Ų | 95.4 | 100% | 1.158 | 51% | 0.512 | S | S | * | . | 0 | 113.1 | 0 | -62.7 | -160.5 | -148 | 0 | 0 | 106.7 | L3 | M1-L3 PolarHBondContact O-N 3.3Å; M1-L3 VanDerWaalsContact O-N 3.11Å | |||
| 2 | G | 35.6 | Very low | 67.8 | Low | 71 Ų | 71 | 92.7 Ų | 92.7 | 73% | 0.732 | 50% | 0.497 | S | S | * | . | trans | -61.7 | 117.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | T4 | G2-T4 PolarHBondContact O-N 3.46Š| ||
| 3 | L | 38.9 | Very low | 69.4 | Low | 151 Ų | 151 | 89.4 Ų | 89.4 | 79% | 0.791 | 49% | 0.49 | S | S | * | . | trans | -57.9 | 92.3 | 163.3 | -98.2 | 84.3 | 0 | 0 | 0 | 105.3 | M1 K5 | M1-L3 PolarHBondContact O-N 3.3Å; M1-L3 VanDerWaalsContact O-N 3.11Å; L3-K5 PolarHBondContact O-N 3.16Å | ||
| 4 | T | 48.2 | Very low | 70.7 | Confident | 94 Ų | 94 | 84.3 Ų | 84.3 | 58% | 0.577 | 47% | 0.468 | S | S | * | . | trans | -56.7 | 111.4 | 160.9 | 44 | 0 | 0 | 0 | 0 | 103.6 | G2 N6 | G2-T4 PolarHBondContact O-N 3.46Å; T4-N6 WeakPolarHBondContact CB-OD1 3.45Å; T4-N6 PolarHBondContact O-N 3.16Å; T4-N6 PolarHBondContact O-OD1 3.27Å; T4-N6 VanDerWaalsContact OG1-CG 3.24Å; T4-N6 PolarHBondContact OG1-ND2 3.27Å; T4-N6 PolarHBondContact OG1-OD1 3.39Å; T4-N6 VanDerWaalsContact OG1-OD1 3.08Å | ||
| 5 | K | 53.2 | Low | 72 | Confident | 205 Ų | 205 | 81.6 Ų | 81.6 | 89% | 0.891 | 45% | 0.448 | S | S | * | . | trans | -59.6 | 78.8 | 173.5 | -70.3 | -179.4 | 175.3 | -176.5 | 0 | 107.2 | L3 Y7 | L3-K5 PolarHBondContact O-N 3.16Å; K5-Y7 PolarHBondContact O-N 3.29Å | ||
| 6 | N | 68 | Low | 73 | Confident | 67 Ų | 67 | 76.8 Ų | 76.8 | 36% | 0.358 | 42% | 0.422 | S | S | . | . | trans | -87.5 | 104.8 | -173.3 | -72.7 | -19 | 0 | 0 | 0 | 105.2 | T4 L684 | T4-N6 WeakPolarHBondContact CB-OD1 3.45Å; T4-N6 PolarHBondContact O-N 3.16Å; T4-N6 PolarHBondContact O-OD1 3.27Å; T4-N6 VanDerWaalsContact OG1-CG 3.24Å; T4-N6 PolarHBondContact OG1-ND2 3.27Å; T4-N6 PolarHBondContact OG1-OD1 3.39Å; T4-N6 VanDerWaalsContact OG1-OD1 3.08Å; N6-L684 WeakPolarHBondContact O-CD2 3.44Å | ||
| 7 | Y | 83.8 | Confident | 73.9 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 11% | 0.106 | 40% | 0.4 | C | S | . | . | trans | 39 | 114.9 | 161.6 | -48 | -67.2 | 0 | 0 | 0 | 117.1 | K5 L623 C637 K640 I644 L685 L687 | K5-Y7 PolarHBondContact O-N 3.29Å; Y7-L623 HydrophobicContact CD1-CD2 4.35Å; Y7-L623 HydrophobicContact CE1-CD2 4.03Å; Y7-C637 HydrophobicContact CE1-CB 4.17Å; Y7-K640 WeakPolarHBondContact OH-CD 3.29Å; Y7-K640 PolarHBondContact OH-NZ 2.91Å; Y7-K640 VanDerWaalsContact OH-NZ 3.12Å; Y7-I644 HydrophobicContact CD1-CD1 3.38Å; Y7-I644 HydrophobicContact CD1-CG1 3.72Å; Y7-I644 HydrophobicContact CD1-CG2 3.98Å; Y7-I644 HydrophobicContact CE1-CD1 3.51Å; Y7-I644 HydrophobicContact CE1-CG1 3.85Å; Y7-I644 HydrophobicContact CG-CD1 4.28Å; Y7-I644 HydrophobicContact CG-CG1 4.19Å; Y7-I644 HydrophobicContact CG-CG2 3.82Å; Y7-L685 WeakPolarHBondContact O-CB 3.44Å; Y7-L685 PolarHBondContact O-N 2.99Å; Y7-L687 HydrophobicContact CD2-CD1 4.02Å; Y7-L687 HydrophobicContact CD2-CD2 3.92Å; Y7-L687 HydrophobicContact CD2-CG 3.92Å; Y7-L687 HydrophobicContact CE2-CD1 3.6Å; Y7-L687 HydrophobicContact CE2-CD2 4.28Å; Y7-L687 HydrophobicContact CE2-CG 4.05Å; Y7-L687 HydrophobicContact CG-CD2 4.45Å | ||
| 8 | L | 88.1 | Confident | 74.7 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 144.1 | 175.7 | -65.4 | 174.4 | 0 | 0 | 0 | 111 | R680 E683 L684 | L8-R680 HydrophobicContact CB-CG 3.68Å; L8-R680 HydrophobicContact CD1-CG 4.12Å; L8-E683 WeakPolarHBondContact CA-O 3.37Å; L8-L684 HydrophobicContact CD2-CD2 4.09Å |
| 9 | K | 88.6 | Confident | 75.2 | Confident | 74 Ų | 74 | 65.9 Ų | 65.9 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 146.6 | 177.5 | -166 | 175.2 | -179.4 | 179.3 | 0 | 112.1 | V11 R680 T681 E683 L685 | K9-V11 HydrophobicContact CD-CG2 4.26Å; K9-V11 HydrophobicContact CG-CG2 4.23Å; K9-R680 CarbonylContact O-C 3.59Å; K9-R680 WeakPolarHBondContact O-CA 3.39Å; K9-T681 PolarHBondContact O-N 2.79Å; K9-T681 PolarHBondContact O-OG1 3.37Å; K9-E683 HydrophobicContact CB-CB 4.15Å; K9-E683 WeakPolarHBondContact CD-OE2 3.44Å; K9-E683 PolarHBondContact N-O 3.1Å; K9-E683 IonicContact NZ-OE2 3.7Å; K9-L685 VanDerWaalsContact CA-CD1 3.41Å; K9-L685 HydrophobicContact CB-CD1 3.76Å; K9-L685 HydrophobicContact CB-CD2 4.22Å; K9-L685 HydrophobicContact CB-CG 3.81Å; K9-L685 HydrophobicContact CD-CD2 4.21Å; K9-L685 HydrophobicContact CG-CD1 4.07Å; K9-L685 HydrophobicContact CG-CD2 4.13Å; K9-L685 HydrophobicContact CG-CG 4.23Å |
| 10 | H | 91.5 | Very high | 75.7 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.046 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127 | 169.4 | -72.3 | -91.2 | 0 | 0 | 0 | 108.9 | F625 Q635 L647 E679 | H10-F625 AromaticContact CD2-CZ 3.77Å; H10-F625 AromaticContact CE1-CZ 3.72Å; H10-F625 AromaticContact NE2-CZ 3.5Å; H10-F625 WeakPolarHBondContact NE2-CZ 3.46Å; H10-Q635 PolarHBondContact NE2-NE2 2.94Å; H10-L647 HydrophobicContact CB-CD1 4.14Å; H10-L647 HydrophobicContact CB-CD2 3.95Å; H10-E679 CarbonylContact C-O 3.58Å; H10-E679 VanDerWaalsContact CA-O 3.31Å; H10-E679 WeakPolarHBondContact CA-O 3.41Å |
| 11 | V | 90.9 | Very high | 76.1 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147.1 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | K9 A13 W678 E679 T681 | K9-V11 HydrophobicContact CD-CG2 4.26Å; K9-V11 HydrophobicContact CG-CG2 4.23Å; V11-A13 PolarHBondContact O-N 3.38Å; V11-W678 CarbonylContact O-C 3.58Å; V11-W678 VanDerWaalsContact O-CA 3.22Å; V11-W678 WeakPolarHBondContact O-CA 3.43Å; V11-E679 PolarHBondContact N-O 2.84Å; V11-E679 PolarHBondContact O-N 3.04Å; V11-T681 HydrophobicContact CB-CG2 3.96Å; V11-T681 HydrophobicContact CG2-CG2 3.6Å |
| 12 | L | 90.7 | Very high | 78.1 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 114.3 | 174.5 | -175.2 | 70.6 | 0 | 0 | 0 | 109.4 | R676 W678 | L12-R676 HydrophobicContact CD1-CB 3.68Å; L12-R676 HydrophobicContact CD1-CG 3.98Å; L12-W678 HydrophobicContact CB-CE3 3.97Å; L12-W678 HydrophobicContact CB-CZ3 3.88Å; L12-W678 HydrophobicContact CD1-CD2 4.19Å; L12-W678 HydrophobicContact CD1-CE3 4.28Å; L12-W678 HydrophobicContact CD1-CH2 4.31Å; L12-W678 HydrophobicContact CD1-CZ2 4.21Å; L12-W678 HydrophobicContact CD1-CZ3 4.34Å |
| 13 | A | 88.1 | Confident | 80.3 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | -30.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V11 M677 E679 | V11-A13 PolarHBondContact O-N 3.38Å; A13-M677 HydrophobicContact CB-CE 4.06Å; A13-M677 PolarHBondContact N-O 3.2Å; A13-E679 HydrophobicContact CB-CB 3.79Å |
| 14 | G | 87.3 | Confident | 82.5 | Confident | 18 Ų | 18 | 45 Ų | 45 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.9 | 170.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M677 | G14-M677 PolarHBondContact N-O 2.94Å; G14-M677 PolarHBondContact O-N 3.12Å |
| 15 | W | 90.3 | Very high | 84.4 | Confident | 44 Ų | 44 | 41.4 Ų | 41.4 | 17% | 0.167 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 156.6 | 177.7 | 64.6 | -93 | 0 | 0 | 0 | 110.8 | V18 A38 S41 M52 V54 I675 R676 | W15-V18 HydrophobicContact CE3-CB 4.38Å; W15-V18 HydrophobicContact CE3-CG2 4.49Å; W15-V18 HydrophobicContact CZ3-CB 3.84Å; W15-V18 HydrophobicContact CZ3-CG2 4.42Å; W15-A38 HydrophobicContact CH2-CB 3.76Å; W15-A38 HydrophobicContact CZ3-CB 4.23Å; W15-S41 VanDerWaalsContact CH2-OG 3.32Å; W15-S41 WeakPolarHBondContact CH2-OG 3.46Å; W15-S41 WeakPolarHBondContact CZ2-OG 3.41Å; W15-M52 HydrophobicContact CH2-CE 3.97Å; W15-M52 HydrophobicContact CH2-SD 4.14Å; W15-M52 HydrophobicContact CZ3-CE 4.37Å; W15-V54 HydrophobicContact CZ2-CG2 3.87Å; W15-I675 CarbonylContact C-O 3.58Å; W15-I675 WeakPolarHBondContact CA-O 3.32Å; W15-R676 HydrophobicContact CB-CG 3.99Å |
| 16 | C | 88.6 | Confident | 86.2 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 3% | 0.034 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | -173.8 | 177 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | V18 W423 M428 I675 | C16-V18 PolarHBondContact O-N 2.94Å; C16-V18 VanDerWaalsContact O-N 3.07Å; C16-W423 HydrophobicContact CB-CE3 4.15Å; C16-W423 HydrophobicContact CB-CZ3 4.02Å; C16-M428 HydrophobicContact CB-CB 4.05Å; C16-M428 HydrophobicContact CB-CE 4.31Å; C16-M428 WeakPolarHBondContact CB-O 3.33Å; C16-I675 PolarHBondContact N-O 2.85Å; C16-I675 PolarHBondContact O-N 2.83Å |
| 17 | N | 88.7 | Confident | 87.3 | Confident | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 75.1 | -29 | 175.6 | -168 | 67.9 | 0 | 0 | 0 | 116.5 | I19 N368 G395 H396 W423 H673 I675 | N17-I19 PolarHBondContact O-N 3.36Å; N17-N368 PolarHBondContact O-ND2 3.38Å; N17-G395 WeakPolarHBondContact O-CA 3.35Å; N17-G395 VanDerWaalsContact OD1-CA 3.28Å; N17-G395 WeakPolarHBondContact OD1-CA 3.29Å; N17-H396 PolarHBondContact OD1-CD2 3.46Å; N17-H396 PolarHBondContact OD1-N 3.42Å; N17-W423 HydrophobicContact CB-CH2 3.92Å; N17-W423 HydrophobicContact CB-CZ2 3.93Å; N17-W423 VanDerWaalsContact OD1-CZ2 3.3Å; N17-W423 WeakPolarHBondContact OD1-CZ2 2.99Å; N17-H673 PolarHBondContact ND2-O 3.46Å; N17-I675 HydrophobicContact CB-CD1 3.96Å; N17-I675 HydrophobicContact CB-CG1 4.07Å |
| 18 | V | 86.7 | Confident | 87.6 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | trans | -77.2 | 118.2 | 177.1 | -167.5 | 0 | 0 | 0 | 0 | 110 | W15 C16 A38 S674 | W15-V18 HydrophobicContact CE3-CB 4.38Å; W15-V18 HydrophobicContact CE3-CG2 4.49Å; W15-V18 HydrophobicContact CZ3-CB 3.84Å; W15-V18 HydrophobicContact CZ3-CG2 4.42Å; C16-V18 PolarHBondContact O-N 2.94Å; C16-V18 VanDerWaalsContact O-N 3.07Å; V18-A38 HydrophobicContact CB-CB 4.14Å; V18-A38 HydrophobicContact CG1-CB 3.66Å; V18-S674 VanDerWaalsContact CG2-CA 3.43Å | ||
| 19 | I | 85.3 | Confident | 87.5 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 6% | 0.062 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -93 | -50.6 | 167.6 | -52.8 | 179.7 | 0 | 0 | 0 | 108.7 | N17 V36 W45 N368 F370 L394 | N17-I19 PolarHBondContact O-N 3.36Å; I19-V36 VanDerWaalsContact O-CG1 3.29Å; I19-V36 WeakPolarHBondContact O-CG1 3.43Å; I19-W45 HydrophobicContact CB-CZ2 4.06Å; I19-W45 HydrophobicContact CG1-CH2 4.33Å; I19-W45 HydrophobicContact CG1-CZ2 4.18Å; I19-W45 HydrophobicContact CG2-CH2 4.22Å; I19-W45 HydrophobicContact CG2-CZ2 3.64Å; I19-W45 PolarHBondContact O-NE1 2.84Å; I19-N368 WeakPolarHBondContact CA-OD1 3.43Å; I19-N368 WeakPolarHBondContact CB-OD1 3.25Å; I19-N368 WeakPolarHBondContact CD1-O 3.19Å; I19-N368 PolarHBondContact N-OD1 2.97Å; I19-F370 HydrophobicContact CG2-CD1 3.61Å; I19-F370 HydrophobicContact CG2-CE1 3.45Å; I19-F370 VanDerWaalsContact CG2-CE1 3.45Å; I19-L394 HydrophobicContact CD1-CB 3.71Å; I19-L394 HydrophobicContact CD1-CD1 4.3Å; I19-L394 HydrophobicContact CG1-CB 4.3Å |
| 20 | A | 84.3 | Confident | 87.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -146.5 | 127 | -175.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V36 L364 N368 | A20-V36 HydrophobicContact CB-CG1 3.57Å; A20-L364 HydrophobicContact CB-CD1 3.19Å; A20-L364 HydrophobicContact CB-CD2 4.38Å; A20-L364 HydrophobicContact CB-CG 4.13Å; A20-N368 PolarHBondContact N-OD1 3.36Å; A20-N368 PolarHBondContact O-OD1 3.46Å; A20-N368 VanDerWaalsContact O-OD1 3.08Å | ||
| 21 | S | 84.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -78.6 | 143 | 172.9 | 64.5 | 0 | 0 | 0 | 0 | 110.8 | E23 S24 G37 M61 | S21-E23 PolarHBondContact O-N 2.8Å; S21-E23 VanDerWaalsContact O-N 3.09Å; S21-S24 PolarHBondContact O-N 3.47Å; S21-S24 VanDerWaalsContact O-N 3.1Å; S21-S24 PolarHBondContact O-OG 2.99Å; S21-S24 WeakPolarHBondContact OG-CB 3.5Å; S21-S24 PolarHBondContact OG-OG 2.99Å; S21-G37 PolarHBondContact N-O 3.47Å; S21-G37 PolarHBondContact OG-O 3.22Å; S21-M61 VanDerWaalsContact CB-CE 3.42Å; S21-M61 WeakPolarHBondContact OG-CE 3.45Å | ||
| 22 | P | 79.1 | Confident | 86.4 | Confident | 41 Ų | 41 | 35 Ų | 35 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.1 | -177.1 | 26.3 | -34.8 | 0 | 0 | 0 | 113.2 | K347 | P22-K347 WeakPolarHBondContact O-CD 3.3Å; P22-K347 WeakPolarHBondContact O-CE 3.29Å; P22-K347 WeakPolarHBondContact O-CG 3.4Å; P22-K347 PolarHBondContact O-NZ 3.21Å |
| 23 | E | 82.3 | Confident | 86.3 | Confident | 107 Ų | 107 | 38 Ų | 38 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -18.8 | 176.4 | -54.3 | -158.5 | 153.7 | 0 | 0 | 114 | S21 M61 T63 K347 | S21-E23 PolarHBondContact O-N 2.8Å; S21-E23 VanDerWaalsContact O-N 3.09Å; E23-M61 HydrophobicContact CB-CE 3.53Å; E23-M61 HydrophobicContact CB-SD 3.99Å; E23-M61 HydrophobicContact CG-CE 3.74Å; E23-M61 HydrophobicContact CG-SD 4.1Å; E23-T63 VanDerWaalsContact O-O 3.12Å; E23-K347 VanDerWaalsContact O-CE 3.26Å; E23-K347 WeakPolarHBondContact O-CE 3.37Å; E23-K347 PolarHBondContact O-NZ 3.48Å |
| 24 | S | 84.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | trans | -74.5 | 174.5 | -177.4 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | S21 G37 T63 K347 L364 | S21-S24 PolarHBondContact O-N 3.47Å; S21-S24 VanDerWaalsContact O-N 3.1Å; S21-S24 PolarHBondContact O-OG 2.99Å; S21-S24 WeakPolarHBondContact OG-CB 3.5Å; S21-S24 PolarHBondContact OG-OG 2.99Å; S24-G37 VanDerWaalsContact CB-O 3.27Å; S24-G37 WeakPolarHBondContact CB-O 3.47Å; S24-G37 PolarHBondContact OG-O 3.13Å; S24-T63 CarbonylContact C-O 3.6Å; S24-T63 WeakPolarHBondContact CA-O 3.43Å; S24-K347 WeakPolarHBondContact O-CE 3.43Å; S24-L364 WeakPolarHBondContact O-CD2 3.41Å | ||
| 25 | S | 88.3 | Confident | 86.5 | Confident | 18 Ų | 18 | 34.8 Ų | 34.8 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | trans | -113.1 | 174.3 | 165.4 | 73.1 | 0 | 0 | 0 | 0 | 111.6 | T63 I65 | S25-T63 PolarHBondContact N-O 3.23Å; S25-I65 WeakPolarHBondContact O-CD1 3.13Å; S25-I65 PolarHBondContact OG-N 3.37Å; S25-I65 PolarHBondContact OG-O 3.39Å | ||
| 26 | I | 90.8 | Very high | 86.5 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.5 | -179.6 | -170.8 | 155.7 | 0 | 0 | 0 | 109.4 | L35 V36 A348 L362 L364 F370 | I26-L35 WeakPolarHBondContact CA-O 3.5Å; I26-V36 HydrophobicContact CD1-CG2 3.61Å; I26-V36 HydrophobicContact CG1-CG2 3.85Å; I26-A348 HydrophobicContact CG2-CB 4.49Å; I26-L362 HydrophobicContact CD1-CD1 4.04Å; I26-L362 HydrophobicContact CD1-CD2 3.57Å; I26-L362 HydrophobicContact CD1-CG 3.62Å; I26-L362 HydrophobicContact CG1-CD2 3.53Å; I26-L362 HydrophobicContact CG1-CG 3.92Å; I26-L362 HydrophobicContact CG2-CG 4.39Å; I26-L364 HydrophobicContact CB-CB 4.25Å; I26-L364 HydrophobicContact CB-CD1 4.33Å; I26-L364 HydrophobicContact CD1-CD1 4.05Å; I26-L364 HydrophobicContact CG2-CB 3.82Å; I26-F370 HydrophobicContact CD1-CB 3.55Å; I26-F370 HydrophobicContact CD1-CD1 4.3Å; I26-F370 HydrophobicContact CD1-CG 3.91Å |
| 27 | V | 90.6 | Very high | 86.4 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 141.7 | -178.2 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | C34 L35 I65 R67 F74 D350 | V27-C34 CarbonylContact O-C 3.58Å; V27-C34 WeakPolarHBondContact O-CA 2.68Å; V27-L35 PolarHBondContact N-O 3.03Å; V27-L35 PolarHBondContact O-N 3.41Å; V27-I65 HydrophobicContact CB-CG2 4.08Å; V27-I65 HydrophobicContact CG2-CB 4.08Å; V27-I65 HydrophobicContact CG2-CG2 3.69Å; V27-I65 WeakPolarHBondContact CG2-O 3.46Å; V27-R67 HydrophobicContact CG1-CB 3.76Å; V27-R67 HydrophobicContact CG1-CG 4.11Å; V27-F74 HydrophobicContact CG1-CD1 4.37Å; V27-F74 HydrophobicContact CG1-CE1 3.97Å; V27-D350 WeakPolarHBondContact CA-OD2 3.44Å |
| 28 | Y | 90.2 | Very high | 86.3 | Confident | 7 Ų | 7 | 32.1 Ų | 32.1 | 3% | 0.027 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 130.9 | 167.7 | -78.6 | -77.7 | 0 | 0 | 0 | 111.3 | L47 R67 D350 R352 L362 E372 | Y28-L47 HydrophobicContact CD1-CD1 4.21Å; Y28-L47 HydrophobicContact CE1-CD1 3.61Å; Y28-R67 WeakPolarHBondContact O-CD 3.37Å; Y28-D350 HydrophobicContact CD2-CB 4.21Å; Y28-D350 PolarHBondContact N-OD2 2.84Å; Y28-R352 HydrophobicContact CD1-CB 4.39Å; Y28-R352 HydrophobicContact CD2-CB 3.88Å; Y28-R352 HydrophobicContact CE1-CB 4.32Å; Y28-R352 HydrophobicContact CE2-CB 3.8Å; Y28-R352 HydrophobicContact CG-CB 4.16Å; Y28-L362 HydrophobicContact CD1-CD2 4.28Å; Y28-L362 HydrophobicContact CD2-CB 4.14Å; Y28-L362 HydrophobicContact CD2-CD2 4.31Å; Y28-L362 HydrophobicContact CE1-CB 4.33Å; Y28-L362 HydrophobicContact CE1-CD2 4.09Å; Y28-L362 HydrophobicContact CE2-CB 3.33Å; Y28-L362 HydrophobicContact CE2-CD2 4.13Å; Y28-L362 HydrophobicContact CE2-CG 4.39Å; Y28-L362 HydrophobicContact CG-CD2 4.41Å; Y28-L362 VanDerWaalsContact CZ-CB 3.46Å; Y28-L362 WeakPolarHBondContact OH-CB 3.44Å; Y28-E372 WeakPolarHBondContact OH-CG 3.5Å; Y28-E372 PolarHBondContact OH-OE1 2.66Å |
| 29 | V | 86 | Confident | 86.3 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -58.3 | 166 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | R33 L35 L44 F74 L88 | V29-R33 HydrophobicContact CB-CB 4.12Å; V29-R33 PolarHBondContact N-O 3.05Å; V29-L35 HydrophobicContact CG2-CB 3.97Å; V29-L35 HydrophobicContact CG2-CD1 4.15Å; V29-L44 HydrophobicContact CB-CD1 4.4Å; V29-L44 HydrophobicContact CG2-CD1 3.72Å; V29-F74 HydrophobicContact CB-CZ 4.13Å; V29-F74 HydrophobicContact CG1-CE2 4.39Å; V29-F74 HydrophobicContact CG1-CZ 4.01Å; V29-F74 HydrophobicContact CG2-CE1 4.14Å; V29-F74 HydrophobicContact CG2-CE2 4.33Å; V29-F74 HydrophobicContact CG2-CZ 3.69Å; V29-L88 HydrophobicContact CB-CD1 4.35Å; V29-L88 HydrophobicContact CG1-CD1 3.4Å; V29-L88 HydrophobicContact CG2-CD1 3.99Å |
| 30 | D | 83.2 | Confident | 86.3 | Confident | 77 Ų | 77 | 33.3 Ų | 33.3 | 41% | 0.412 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 178.5 | -176 | -64.1 | -40.6 | 0 | 0 | 0 | 110.8 | R32 R33 | D30-R32 PolarHBondContact O-N 3.21Å; D30-R33 HydrophobicContact CB-CB 4.39Å; D30-R33 PolarHBondContact N-O 2.92Å; D30-R33 PolarHBondContact O-N 3.15Å |
| 31 | D | 80.3 | Confident | 86.5 | Confident | 112 Ų | 112 | 33.4 Ų | 33.4 | 60% | 0.599 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -16.2 | 172.5 | -72.8 | -4.3 | 0 | 0 | 0 | 115 | R352 | D31-R352 VanDerWaalsContact C-NH1 3.3Å; D31-R352 PolarHBondContact O-NH1 3.1Å; D31-R352 WeakPolarHBondContact OD1-CD 3.47Å |
| 32 | R | 84.3 | Confident | 86.7 | Confident | 146 Ų | 146 | 33.4 Ų | 33.4 | 55% | 0.551 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -9.2 | -177.5 | -59.3 | -174.9 | -173.9 | -172.5 | 3.8 | 113.5 | D30 N46 L47 K48 | D30-R32 PolarHBondContact O-N 3.21Å; R32-N46 CarbonylContact O-C 3.57Å; R32-N46 WeakPolarHBondContact O-CA 3.49Å; R32-N46 PolarHBondContact O-OD1 3.5Å; R32-L47 PolarHBondContact O-N 3.17Å; R32-K48 HydrophobicContact CG-CD 4.49Å |
| 33 | R | 88.9 | Confident | 87.3 | Confident | 124 Ų | 124 | 31.5 Ų | 31.5 | 47% | 0.468 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 135 | -166.8 | -68.4 | 174.7 | 177 | 173.3 | -3.5 | 110.7 | V29 D30 L44 W45 | V29-R33 HydrophobicContact CB-CB 4.12Å; V29-R33 PolarHBondContact N-O 3.05Å; D30-R33 HydrophobicContact CB-CB 4.39Å; D30-R33 PolarHBondContact N-O 2.92Å; D30-R33 PolarHBondContact O-N 3.15Å; R33-L44 HydrophobicContact CB-CD1 3.99Å; R33-W45 CarbonylContact C-O 3.49Å; R33-W45 VanDerWaalsContact CA-O 3.25Å; R33-W45 WeakPolarHBondContact CA-O 3.11Å |
| 34 | C | 89.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.1 | 172.4 | 59 | 0 | 0 | 0 | 0 | 110.9 | V27 L44 W45 L47 L362 | V27-C34 CarbonylContact O-C 3.58Å; V27-C34 WeakPolarHBondContact O-CA 2.68Å; C34-L44 CarbonylContact O-C 3.53Å; C34-L44 WeakPolarHBondContact O-CA 3.46Å; C34-W45 PolarHBondContact N-O 3.09Å; C34-W45 PolarHBondContact O-N 2.93Å; C34-W45 VanDerWaalsContact SG-CB 3.55Å; C34-L47 HydrophobicContact CB-CD2 4.37Å; C34-L47 VanDerWaalsContact SG-CD2 3.53Å; C34-L362 HydrophobicContact CB-CD2 3.5Å; C34-L362 VanDerWaalsContact CB-CD2 3.5Å |
| 35 | L | 90.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131.1 | 177.3 | -154.4 | 112.9 | 0 | 0 | 0 | 108.5 | I26 V27 V29 V42 C43 L44 I55 I65 F74 L88 | I26-L35 WeakPolarHBondContact CA-O 3.5Å; V27-L35 PolarHBondContact N-O 3.03Å; V27-L35 PolarHBondContact O-N 3.41Å; V29-L35 HydrophobicContact CG2-CB 3.97Å; V29-L35 HydrophobicContact CG2-CD1 4.15Å; L35-V42 HydrophobicContact CD1-CG1 4.1Å; L35-V42 HydrophobicContact CD2-CG1 3.39Å; L35-V42 HydrophobicContact CG-CG1 3.69Å; L35-C43 CarbonylContact C-O 3.49Å; L35-C43 WeakPolarHBondContact CA-O 3.45Å; L35-L44 HydrophobicContact CD1-CD1 4.4Å; L35-I55 HydrophobicContact CD1-CD1 3.4Å; L35-I55 VanDerWaalsContact CD1-CD1 3.4Å; L35-I55 HydrophobicContact CG-CD1 4.43Å; L35-I65 HydrophobicContact CD2-CB 4.39Å; L35-I65 HydrophobicContact CD2-CD1 3.93Å; L35-I65 HydrophobicContact CD2-CG1 4.12Å; L35-I65 HydrophobicContact CD2-CG2 3.38Å; L35-F74 HydrophobicContact CD2-CD1 4.42Å; L35-F74 HydrophobicContact CD2-CG 4.48Å; L35-L88 HydrophobicContact CD1-CD2 4.13Å |
| 36 | V | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.3 | -174.5 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | I19 A20 I26 C43 L364 F370 | I19-V36 VanDerWaalsContact O-CG1 3.29Å; I19-V36 WeakPolarHBondContact O-CG1 3.43Å; A20-V36 HydrophobicContact CB-CG1 3.57Å; I26-V36 HydrophobicContact CD1-CG2 3.61Å; I26-V36 HydrophobicContact CG1-CG2 3.85Å; V36-C43 PolarHBondContact N-O 3.18Å; V36-C43 PolarHBondContact O-N 3.48Å; V36-L364 HydrophobicContact CG1-CD1 4.38Å; V36-F370 HydrophobicContact CG2-CD1 4.46Å |
| 37 | G | 86.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 110.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | S21 S24 | S21-G37 PolarHBondContact N-O 3.47Å; S21-G37 PolarHBondContact OG-O 3.22Å; S24-G37 VanDerWaalsContact CB-O 3.27Å; S24-G37 WeakPolarHBondContact CB-O 3.47Å; S24-G37 PolarHBondContact OG-O 3.13Å |
| 38 | A | 86.5 | Confident | 87.2 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 90.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | W15 V18 Q40 S41 | W15-A38 HydrophobicContact CH2-CB 3.76Å; W15-A38 HydrophobicContact CZ3-CB 4.23Å; V18-A38 HydrophobicContact CB-CB 4.14Å; V18-A38 HydrophobicContact CG1-CB 3.66Å; A38-Q40 PolarHBondContact O-N 2.94Å; A38-S41 WeakPolarHBondContact CB-OG 3.5Å; A38-S41 PolarHBondContact N-O 3.5Å; A38-S41 PolarHBondContact O-N 2.66Å; A38-S41 PolarHBondContact O-OG 3.26Å |
| 39 | C | 86.2 | Confident | 86.8 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.034 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -107.2 | -175.3 | -65.3 | 0 | 0 | 0 | 0 | 110.8 | M61 V62 L651 | C39-M61 CarbonylContact O-C 3.52Å; C39-M61 VanDerWaalsContact O-CA 3.27Å; C39-M61 WeakPolarHBondContact O-CA 3.44Å; C39-M61 WeakPolarHBondContact O-CG 3.4Å; C39-V62 PolarHBondContact O-N 3.08Å; C39-L651 HydrophobicContact CB-CD1 3.94Å |
| 40 | Q | 87.3 | Confident | 86.7 | Confident | 36 Ų | 36 | 40 Ų | 40 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -21.5 | 178.1 | -88.9 | 160.2 | -20.9 | 0 | 0 | 113.3 | A38 A58 D59 A60 G649 L651 | A38-Q40 PolarHBondContact O-N 2.94Å; Q40-A58 WeakPolarHBondContact CB-O 3.15Å; Q40-A58 VanDerWaalsContact CG-O 3.29Å; Q40-A58 WeakPolarHBondContact CG-O 3.49Å; Q40-A58 WeakPolarHBondContact O-CB 3.41Å; Q40-A58 PolarHBondContact O-N 3.1Å; Q40-D59 PolarHBondContact NE2-O 3.2Å; Q40-A60 WeakPolarHBondContact CA-O 3.44Å; Q40-G649 PolarHBondContact OE1-O 3.45Å; Q40-L651 HydrophobicContact CG-CD1 4.27Å |
| 41 | S | 88 | Confident | 86.7 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 151.6 | -171 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | W15 A38 C43 H56 D57 | W15-S41 VanDerWaalsContact CH2-OG 3.32Å; W15-S41 WeakPolarHBondContact CH2-OG 3.46Å; W15-S41 WeakPolarHBondContact CZ2-OG 3.41Å; A38-S41 WeakPolarHBondContact CB-OG 3.5Å; A38-S41 PolarHBondContact N-O 3.5Å; A38-S41 PolarHBondContact O-N 2.66Å; A38-S41 PolarHBondContact O-OG 3.26Å; S41-C43 PolarHBondContact OG-SG 3.31Å; S41-H56 CarbonylContact C-O 3.57Å; S41-H56 WeakPolarHBondContact CA-O 3.4Å; S41-D57 WeakPolarHBondContact CB-OD1 3.29Å |
| 42 | V | 88.7 | Confident | 87 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.1 | 170.7 | -179.1 | 0 | 0 | 0 | 0 | 107.9 | L35 I55 H56 V62 V76 I86 | L35-V42 HydrophobicContact CD1-CG1 4.1Å; L35-V42 HydrophobicContact CD2-CG1 3.39Å; L35-V42 HydrophobicContact CG-CG1 3.69Å; V42-I55 HydrophobicContact CG1-CD1 4.5Å; V42-I55 PolarHBondContact O-N 3.4Å; V42-H56 HydrophobicContact CB-CB 4.49Å; V42-H56 PolarHBondContact N-O 3.36Å; V42-V62 HydrophobicContact CG2-CG2 3.89Å; V42-V76 HydrophobicContact CG2-CB 4.44Å; V42-V76 HydrophobicContact CG2-CG1 3.79Å; V42-V76 HydrophobicContact CG2-CG2 4.01Å; V42-I86 HydrophobicContact CB-CD1 4.38Å; V42-I86 HydrophobicContact CG1-CD1 4.37Å; V42-I86 HydrophobicContact CG2-CD1 4.1Å |
| 43 | C | 89.7 | Confident | 87 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.5 | -175.2 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | L35 V36 S41 M52 T53 | L35-C43 CarbonylContact C-O 3.49Å; L35-C43 WeakPolarHBondContact CA-O 3.45Å; V36-C43 PolarHBondContact N-O 3.18Å; V36-C43 PolarHBondContact O-N 3.48Å; S41-C43 PolarHBondContact OG-SG 3.31Å; C43-M52 HydrophobicContact CB-CG 3.9Å; C43-M52 HydrophobicContact CB-SD 4.07Å; C43-M52 VanDerWaalsContact SG-SD 3.64Å; C43-T53 CarbonylContact C-O 3.55Å; C43-T53 WeakPolarHBondContact CA-O 3.31Å |
| 44 | L | 90.8 | Very high | 86.7 | Confident | 22 Ų | 22 | 34.3 Ų | 34.3 | 12% | 0.115 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 122.1 | 168.6 | -177.2 | 76.8 | 0 | 0 | 0 | 109.4 | V29 R33 C34 L35 T53 I55 | V29-L44 HydrophobicContact CB-CD1 4.4Å; V29-L44 HydrophobicContact CG2-CD1 3.72Å; R33-L44 HydrophobicContact CB-CD1 3.99Å; C34-L44 CarbonylContact O-C 3.53Å; C34-L44 WeakPolarHBondContact O-CA 3.46Å; L35-L44 HydrophobicContact CD1-CD1 4.4Å; L44-T53 WeakPolarHBondContact CB-OG1 3.15Å; L44-T53 PolarHBondContact N-O 3.24Å; L44-T53 PolarHBondContact O-N 3.06Å; L44-T53 PolarHBondContact O-OG1 3.46Å; L44-T53 VanDerWaalsContact O-OG1 3.11Å; L44-I55 HydrophobicContact CB-CD1 3.59Å; L44-I55 HydrophobicContact CB-CG1 3.99Å; L44-I55 HydrophobicContact CD1-CD1 4.49Å; L44-I55 HydrophobicContact CG-CD1 4.48Å |
| 45 | W | 89.7 | Confident | 86.4 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 5% | 0.049 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.4 | 178.9 | -76.6 | 91.5 | 0 | 0 | 0 | 110.5 | I19 R33 C34 M50 E51 M52 F370 L394 | I19-W45 HydrophobicContact CB-CZ2 4.06Å; I19-W45 HydrophobicContact CG1-CH2 4.33Å; I19-W45 HydrophobicContact CG1-CZ2 4.18Å; I19-W45 HydrophobicContact CG2-CH2 4.22Å; I19-W45 HydrophobicContact CG2-CZ2 3.64Å; I19-W45 PolarHBondContact O-NE1 2.84Å; R33-W45 CarbonylContact C-O 3.49Å; R33-W45 VanDerWaalsContact CA-O 3.25Å; R33-W45 WeakPolarHBondContact CA-O 3.11Å; C34-W45 PolarHBondContact N-O 3.09Å; C34-W45 PolarHBondContact O-N 2.93Å; C34-W45 VanDerWaalsContact SG-CB 3.55Å; W45-M50 VanDerWaalsContact CZ3-O 3.26Å; W45-M50 WeakPolarHBondContact CZ3-O 3.23Å; W45-E51 WeakPolarHBondContact CA-O 3.19Å; W45-M52 HydrophobicContact CD2-CB 4.04Å; W45-M52 HydrophobicContact CD2-CG 4.22Å; W45-M52 HydrophobicContact CE3-CB 4.06Å; W45-M52 HydrophobicContact CH2-CB 3.71Å; W45-M52 HydrophobicContact CH2-CG 4.25Å; W45-M52 HydrophobicContact CH2-SD 4.22Å; W45-M52 HydrophobicContact CZ2-CB 3.66Å; W45-M52 HydrophobicContact CZ2-CG 3.67Å; W45-M52 HydrophobicContact CZ2-SD 3.46Å; W45-M52 WeakPolarHBondContact CZ2-SD 3.45Å; W45-M52 HydrophobicContact CZ3-CB 3.9Å; W45-F370 HydrophobicContact CB-CE1 4.37Å; W45-F370 HydrophobicContact CB-CZ 4.19Å; W45-F370 HydrophobicContact CD2-CE1 4.03Å; W45-F370 HydrophobicContact CD2-CZ 4.31Å; W45-F370 HydrophobicContact CE3-CE1 4.46Å; W45-F370 HydrophobicContact CE3-CZ 4.43Å; W45-F370 AromaticContact CG-CE1 3.98Å; W45-F370 HydrophobicContact CG-CE1 3.98Å; W45-F370 HydrophobicContact CG-CZ 4.22Å; W45-L394 HydrophobicContact CH2-CD1 4.07Å; W45-L394 HydrophobicContact CZ3-CD1 3.73Å |
| 46 | N | 88.4 | Confident | 86 | Confident | 41 Ų | 41 | 37.3 Ų | 37.3 | 22% | 0.219 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.2 | 167 | -175.2 | -13.5 | 0 | 0 | 0 | 109.5 | R32 K48 T49 M50 E51 | R32-N46 CarbonylContact O-C 3.57Å; R32-N46 WeakPolarHBondContact O-CA 3.49Å; R32-N46 PolarHBondContact O-OD1 3.5Å; N46-K48 PolarHBondContact O-N 3.43Å; N46-K48 VanDerWaalsContact O-N 3.12Å; N46-K48 PolarHBondContact OD1-N 2.98Å; N46-T49 WeakPolarHBondContact CB-OG1 3.34Å; N46-T49 PolarHBondContact ND2-OG1 3.25Å; N46-T49 PolarHBondContact O-N 3.18Å; N46-M50 WeakPolarHBondContact O-CA 3.44Å; N46-M50 PolarHBondContact O-N 3.1Å; N46-E51 PolarHBondContact N-O 3.01Å |
| 47 | L | 83.6 | Confident | 85.6 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -24.5 | -175.8 | -67.6 | 170.4 | 0 | 0 | 0 | 113.5 | Y28 R32 C34 L362 F370 | Y28-L47 HydrophobicContact CD1-CD1 4.21Å; Y28-L47 HydrophobicContact CE1-CD1 3.61Å; R32-L47 PolarHBondContact O-N 3.17Å; C34-L47 HydrophobicContact CB-CD2 4.37Å; C34-L47 VanDerWaalsContact SG-CD2 3.53Å; L47-L362 HydrophobicContact CD2-CD1 4.22Å; L47-F370 HydrophobicContact CD2-CD2 4.16Å; L47-F370 HydrophobicContact CD2-CE2 3.54Å; L47-F370 HydrophobicContact CD2-CZ 4.35Å |
| 48 | K | 82.8 | Confident | 85.3 | Confident | 147 Ų | 147 | 42.3 Ų | 42.3 | 64% | 0.639 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -45.8 | -179.7 | -68.2 | -170.3 | 178.9 | -171.8 | 0 | 113.2 | R32 N46 | R32-K48 HydrophobicContact CG-CD 4.49Å; N46-K48 PolarHBondContact O-N 3.43Å; N46-K48 VanDerWaalsContact O-N 3.12Å; N46-K48 PolarHBondContact OD1-N 2.98Å |
| 49 | T | 83.3 | Confident | 84.7 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 44% | 0.442 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -16.8 | -177.2 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | N46 E51 | N46-T49 WeakPolarHBondContact CB-OG1 3.34Å; N46-T49 PolarHBondContact ND2-OG1 3.25Å; N46-T49 PolarHBondContact O-N 3.18Å; T49-E51 WeakPolarHBondContact CB-OE2 3.38Å; T49-E51 PolarHBondContact O-N 3.43Å; T49-E51 PolarHBondContact OG1-OE2 3.14Å |
| 50 | M | 82.2 | Confident | 84.6 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | trans | 52.8 | 38.6 | -169.7 | -64.4 | -66.2 | -176.7 | 0 | 0 | 112 | W45 N46 F370 T389 L394 | W45-M50 VanDerWaalsContact CZ3-O 3.26Å; W45-M50 WeakPolarHBondContact CZ3-O 3.23Å; N46-M50 WeakPolarHBondContact O-CA 3.44Å; N46-M50 PolarHBondContact O-N 3.1Å; M50-F370 HydrophobicContact CE-CE2 3.94Å; M50-F370 HydrophobicContact CE-CZ 4.3Å; M50-F370 HydrophobicContact SD-CE2 3.92Å; M50-F370 HydrophobicContact SD-CZ 3.67Å; M50-T389 HydrophobicContact CE-CG2 3.65Å; M50-L394 HydrophobicContact CB-CD1 3.81Å; M50-L394 HydrophobicContact CG-CD1 4.3Å; M50-L394 HydrophobicContact SD-CD1 4.43Å | ||
| 51 | E | 83.9 | Confident | 84.5 | Confident | 125 Ų | 125 | 49.2 Ų | 49.2 | 58% | 0.584 | 26% | 0.258 | S | S | * | . | trans | -92.9 | 140.1 | 171.8 | -70 | 165.7 | 155.2 | 0 | 0 | 109.7 | W45 N46 T49 | W45-E51 WeakPolarHBondContact CA-O 3.19Å; N46-E51 PolarHBondContact N-O 3.01Å; T49-E51 WeakPolarHBondContact CB-OE2 3.38Å; T49-E51 PolarHBondContact O-N 3.43Å; T49-E51 PolarHBondContact OG1-OE2 3.14Å | ||
| 52 | M | 85.9 | Confident | 84.6 | Confident | 70 Ų | 70 | 49.1 Ų | 49.1 | 35% | 0.345 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 138.8 | -179.5 | -171.9 | -178.6 | 73 | 0 | 0 | 110.5 | W15 C43 W45 V54 | W15-M52 HydrophobicContact CH2-CE 3.97Å; W15-M52 HydrophobicContact CH2-SD 4.14Å; W15-M52 HydrophobicContact CZ3-CE 4.37Å; C43-M52 HydrophobicContact CB-CG 3.9Å; C43-M52 HydrophobicContact CB-SD 4.07Å; C43-M52 VanDerWaalsContact SG-SD 3.64Å; W45-M52 HydrophobicContact CD2-CB 4.04Å; W45-M52 HydrophobicContact CD2-CG 4.22Å; W45-M52 HydrophobicContact CE3-CB 4.06Å; W45-M52 HydrophobicContact CH2-CB 3.71Å; W45-M52 HydrophobicContact CH2-CG 4.25Å; W45-M52 HydrophobicContact CH2-SD 4.22Å; W45-M52 HydrophobicContact CZ2-CB 3.66Å; W45-M52 HydrophobicContact CZ2-CG 3.67Å; W45-M52 HydrophobicContact CZ2-SD 3.46Å; W45-M52 WeakPolarHBondContact CZ2-SD 3.45Å; W45-M52 HydrophobicContact CZ3-CB 3.9Å; M52-V54 HydrophobicContact CE-CG2 4.32Å |
| 53 | T | 85.2 | Confident | 84.7 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 48% | 0.479 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.4 | 168.6 | 45.6 | 0 | 0 | 0 | 0 | 108.7 | C43 L44 | C43-T53 CarbonylContact C-O 3.55Å; C43-T53 WeakPolarHBondContact CA-O 3.31Å; L44-T53 WeakPolarHBondContact CB-OG1 3.15Å; L44-T53 PolarHBondContact N-O 3.24Å; L44-T53 PolarHBondContact O-N 3.06Å; L44-T53 PolarHBondContact O-OG1 3.46Å; L44-T53 VanDerWaalsContact O-OG1 3.11Å |
| 54 | V | 82.9 | Confident | 84.8 | Confident | 66 Ų | 66 | 51 Ų | 51 | 40% | 0.4 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 126.7 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | W15 M52 D57 | W15-V54 HydrophobicContact CZ2-CG2 3.87Å; M52-V54 HydrophobicContact CE-CG2 4.32Å; V54-D57 WeakPolarHBondContact CG1-OD1 3.39Å |
| 55 | I | 83.8 | Confident | 84.9 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 16% | 0.164 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -47 | 178.1 | -61.7 | 160.8 | 0 | 0 | 0 | 109.9 | L35 V42 L44 I86 L88 P94 | L35-I55 HydrophobicContact CD1-CD1 3.4Å; L35-I55 VanDerWaalsContact CD1-CD1 3.4Å; L35-I55 HydrophobicContact CG-CD1 4.43Å; V42-I55 HydrophobicContact CG1-CD1 4.5Å; V42-I55 PolarHBondContact O-N 3.4Å; L44-I55 HydrophobicContact CB-CD1 3.59Å; L44-I55 HydrophobicContact CB-CG1 3.99Å; L44-I55 HydrophobicContact CD1-CD1 4.49Å; L44-I55 HydrophobicContact CG-CD1 4.48Å; I55-I86 HydrophobicContact CG2-CG2 3.81Å; I55-L88 HydrophobicContact CD1-CD2 3.31Å; I55-L88 HydrophobicContact CG1-CD2 4.11Å; I55-L88 HydrophobicContact CG2-CD2 4.29Å; I55-P94 HydrophobicContact CG2-CB 3.62Å; I55-P94 HydrophobicContact CG2-CG 3.77Å; I55-P94 WeakPolarHBondContact O-CG 3.47Å |
| 56 | H | 81.7 | Confident | 85 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 14% | 0.144 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 129.4 | -171.9 | 179.6 | 61.5 | 0 | 0 | 0 | 110.4 | S41 V42 N84 I86 L95 | S41-H56 CarbonylContact C-O 3.57Å; S41-H56 WeakPolarHBondContact CA-O 3.4Å; V42-H56 HydrophobicContact CB-CB 4.49Å; V42-H56 PolarHBondContact N-O 3.36Å; H56-N84 PolarHBondContact NE2-ND2 3.42Å; H56-I86 HydrophobicContact CB-CD1 3.89Å; H56-L95 WeakPolarHBondContact CE1-CD1 3.4Å; H56-L95 WeakPolarHBondContact NE2-CD1 3.22Å |
| 57 | D | 80.4 | Confident | 85 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 119.8 | 171.2 | -74.6 | -25.1 | 0 | 0 | 0 | 108.8 | S41 V54 | S41-D57 WeakPolarHBondContact CB-OD1 3.29Å; V54-D57 WeakPolarHBondContact CG1-OD1 3.39Å |
| 58 | A | 79.2 | Confident | 85.1 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 8% | 0.083 | 28% | 0.279 | C | S | . | . | trans | -104 | 163.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q40 A60 L78 | Q40-A58 WeakPolarHBondContact CB-O 3.15Å; Q40-A58 VanDerWaalsContact CG-O 3.29Å; Q40-A58 WeakPolarHBondContact CG-O 3.49Å; Q40-A58 WeakPolarHBondContact O-CB 3.41Å; Q40-A58 PolarHBondContact O-N 3.1Å; A58-A60 VanDerWaalsContact C-N 3.28Å; A58-A60 PolarHBondContact O-N 2.83Å; A58-L78 HydrophobicContact CB-CD1 3.91Å; A58-L78 HydrophobicContact CB-CD2 3.57Å; A58-L78 HydrophobicContact CB-CG 4.42Å | ||
| 59 | D | 74.4 | Confident | 84.9 | Confident | 153 Ų | 153 | 51.7 Ų | 51.7 | 82% | 0.818 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -74.2 | -20.8 | -179.2 | -57.9 | -30.1 | 0 | 0 | 0 | 113.4 | Q40 | Q40-D59 PolarHBondContact NE2-O 3.2Š|
| 60 | A | 83.6 | Confident | 84.7 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -124.1 | 163.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q40 A58 V62 L78 N80 | Q40-A60 WeakPolarHBondContact CA-O 3.44Å; A58-A60 VanDerWaalsContact C-N 3.28Å; A58-A60 PolarHBondContact O-N 2.83Å; A60-V62 PolarHBondContact O-N 2.85Å; A60-L78 HydrophobicContact CB-CB 4.27Å; A60-L78 WeakPolarHBondContact O-CD2 3.35Å; A60-N80 HydrophobicContact CB-CB 3.83Å |
| 61 | M | 86.4 | Confident | 84.4 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | trans | -63.3 | 132.8 | 179.9 | -164.5 | 175.9 | -174.3 | 0 | 0 | 112.1 | S21 E23 C39 T63 L78 A79 L651 | S21-M61 VanDerWaalsContact CB-CE 3.42Å; S21-M61 WeakPolarHBondContact OG-CE 3.45Å; E23-M61 HydrophobicContact CB-CE 3.53Å; E23-M61 HydrophobicContact CB-SD 3.99Å; E23-M61 HydrophobicContact CG-CE 3.74Å; E23-M61 HydrophobicContact CG-SD 4.1Å; C39-M61 CarbonylContact O-C 3.52Å; C39-M61 VanDerWaalsContact O-CA 3.27Å; C39-M61 WeakPolarHBondContact O-CA 3.44Å; C39-M61 WeakPolarHBondContact O-CG 3.4Å; M61-T63 PolarHBondContact O-N 3.23Å; M61-L78 CarbonylContact O-C 3.6Å; M61-L78 WeakPolarHBondContact O-CA 3.49Å; M61-A79 HydrophobicContact CB-CB 3.95Å; M61-A79 WeakPolarHBondContact O-CB 3.26Å; M61-A79 PolarHBondContact O-N 3.4Å; M61-L651 HydrophobicContact CB-CD1 3.68Å; M61-L651 HydrophobicContact CB-CD2 4.47Å; M61-L651 HydrophobicContact CG-CD1 3.83Å; M61-L651 HydrophobicContact SD-CD1 4.24Å | ||
| 62 | V | 91 | Very high | 84.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 118.6 | 171.7 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | C39 V42 A60 I65 V76 L78 | C39-V62 PolarHBondContact O-N 3.08Å; V42-V62 HydrophobicContact CG2-CG2 3.89Å; A60-V62 PolarHBondContact O-N 2.85Å; V62-I65 HydrophobicContact CG1-CD1 4.21Å; V62-I65 HydrophobicContact CG1-CG1 3.99Å; V62-V76 HydrophobicContact CB-CG1 4.24Å; V62-V76 HydrophobicContact CG1-CG1 3.47Å; V62-V76 VanDerWaalsContact CG1-CG1 3.47Å; V62-V76 HydrophobicContact CG2-CG1 3.85Å; V62-L78 HydrophobicContact CG2-CD2 3.85Å |
| 63 | T | 90.8 | Very high | 84.4 | Confident | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.092 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -40.6 | -179.1 | 54.2 | 0 | 0 | 0 | 0 | 112 | E23 S24 S25 M61 G77 A79 A105 V106 | E23-T63 VanDerWaalsContact O-O 3.12Å; S24-T63 CarbonylContact C-O 3.6Å; S24-T63 WeakPolarHBondContact CA-O 3.43Å; S25-T63 PolarHBondContact N-O 3.23Å; M61-T63 PolarHBondContact O-N 3.23Å; T63-G77 PolarHBondContact N-O 3.46Å; T63-G77 PolarHBondContact OG1-O 2.69Å; T63-G77 VanDerWaalsContact OG1-O 3.11Å; T63-A79 HydrophobicContact CG2-CB 4Å; T63-A105 HydrophobicContact CG2-CB 4.38Å; T63-V106 WeakPolarHBondContact CB-O 3.42Å; T63-V106 PolarHBondContact OG1-O 2.65Å |
| 64 | V | 91.7 | Very high | 84.7 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 141.2 | -175.3 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | V76 G77 T107 I109 | V64-V76 CarbonylContact O-C 3.6Å; V64-V76 WeakPolarHBondContact O-CA 3.44Å; V64-G77 PolarHBondContact N-O 3.26Å; V64-G77 PolarHBondContact O-N 3.34Å; V64-T107 VanDerWaalsContact CG2-O 3.31Å; V64-T107 WeakPolarHBondContact CG2-O 3.38Å; V64-I109 HydrophobicContact CG1-CB 4.23Å; V64-I109 HydrophobicContact CG1-CD1 4.39Å; V64-I109 HydrophobicContact CG1-CG1 4.17Å |
| 65 | I | 93.1 | Very high | 85.1 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.4 | 170.5 | -63.2 | 154.9 | 0 | 0 | 0 | 106.7 | S25 V27 L35 V62 F74 A75 V76 | S25-I65 WeakPolarHBondContact O-CD1 3.13Å; S25-I65 PolarHBondContact OG-N 3.37Å; S25-I65 PolarHBondContact OG-O 3.39Å; V27-I65 HydrophobicContact CB-CG2 4.08Å; V27-I65 HydrophobicContact CG2-CB 4.08Å; V27-I65 HydrophobicContact CG2-CG2 3.69Å; V27-I65 WeakPolarHBondContact CG2-O 3.46Å; L35-I65 HydrophobicContact CD2-CB 4.39Å; L35-I65 HydrophobicContact CD2-CD1 3.93Å; L35-I65 HydrophobicContact CD2-CG1 4.12Å; L35-I65 HydrophobicContact CD2-CG2 3.38Å; V62-I65 HydrophobicContact CG1-CD1 4.21Å; V62-I65 HydrophobicContact CG1-CG1 3.99Å; I65-F74 HydrophobicContact CG2-CD1 4.44Å; I65-A75 CarbonylContact C-O 3.52Å; I65-A75 WeakPolarHBondContact CA-O 3.22Å; I65-V76 HydrophobicContact CG1-CG1 4.41Å; I65-V76 HydrophobicContact CG1-CG2 4.26Å |
| 66 | A | 90.3 | Very high | 85.5 | Confident | 11 Ų | 11 | 39 Ų | 39 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F74 A75 I109 F111 | A66-F74 WeakPolarHBondContact O-CA 3.3Å; A66-A75 PolarHBondContact N-O 3.05Å; A66-A75 PolarHBondContact O-N 3.4Å; A66-I109 HydrophobicContact CB-CB 3.76Å; A66-I109 HydrophobicContact CB-CG2 3.68Å; A66-F111 HydrophobicContact CB-CD2 4.15Å; A66-F111 HydrophobicContact CB-CE2 4.06Å |
| 67 | R | 88.9 | Confident | 86 | Confident | 138 Ų | 138 | 37.5 Ų | 37.5 | 52% | 0.521 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.1 | 176.7 | -158 | 176.5 | 67.4 | 137.3 | -2.1 | 110.3 | V27 Y28 F74 F111 | V27-R67 HydrophobicContact CG1-CB 3.76Å; V27-R67 HydrophobicContact CG1-CG 4.11Å; Y28-R67 WeakPolarHBondContact O-CD 3.37Å; R67-F74 HydrophobicContact CB-CE1 4.36Å; R67-F74 HydrophobicContact CG-CD1 4.33Å; R67-F74 HydrophobicContact CG-CE1 3.75Å; R67-F74 HydrophobicContact CG-CZ 4.36Å; R67-F111 WeakPolarHBondContact O-CD2 3.3Å |
| 68 | C | 84.9 | Confident | 86.6 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | trans | -73.1 | 161.3 | 165.4 | -170.4 | 0 | 0 | 0 | 0 | 110.2 | I70 Q73 F111 G115 | C68-I70 PolarHBondContact O-N 3.11Å; C68-Q73 HydrophobicContact CB-CB 3.75Å; C68-Q73 WeakPolarHBondContact CB-O 3.35Å; C68-Q73 PolarHBondContact N-O 3.39Å; C68-F111 HydrophobicContact CB-CD1 3.99Å; C68-F111 HydrophobicContact CB-CD2 4.28Å; C68-F111 HydrophobicContact CB-CE1 3.79Å; C68-F111 HydrophobicContact CB-CE2 4.1Å; C68-F111 HydrophobicContact CB-CG 4.22Å; C68-F111 HydrophobicContact CB-CZ 3.84Å; C68-G115 VanDerWaalsContact SG-CA 3.57Å | ||
| 69 | V | 78.6 | Confident | 87.1 | Confident | 93 Ų | 93 | 34.3 Ų | 34.3 | 56% | 0.564 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -63.9 | -27.8 | 169.8 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | E113 | V69-E113 WeakPolarHBondContact CG2-O 3.24Š|
| 70 | I | 79.6 | Confident | 87.6 | Confident | 74 Ų | 74 | 30.3 Ų | 30.3 | 38% | 0.379 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -79.7 | 120.6 | 170.1 | -53.1 | 169.6 | 0 | 0 | 0 | 108 | C68 T72 Q73 | C68-I70 PolarHBondContact O-N 3.11Å; I70-T72 PolarHBondContact O-N 2.85Å; I70-Q73 PolarHBondContact O-N 3.46Å |
| 71 | P | 75.3 | Confident | 87.7 | Confident | 65 Ų | 65 | 29.8 Ų | 29.8 | 42% | 0.422 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18.2 | -167.3 | 24.1 | -33.8 | 0 | 0 | 0 | 114.6 | F74 | P71-F74 WeakPolarHBondContact O-CE2 3.4Å; P71-F74 WeakPolarHBondContact O-CZ 3.41Å |
| 72 | T | 82.4 | Confident | 87.8 | Confident | 39 Ų | 39 | 29.3 Ų | 29.3 | 24% | 0.239 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -3.3 | -175.3 | 64.5 | 0 | 0 | 0 | 0 | 113.4 | I70 K87 L88 D89 | I70-T72 PolarHBondContact O-N 2.85Å; T72-K87 CarbonylContact O-C 3.58Å; T72-K87 VanDerWaalsContact O-CA 3.3Å; T72-K87 WeakPolarHBondContact O-CA 3.37Å; T72-L88 PolarHBondContact O-N 3.4Å; T72-D89 VanDerWaalsContact CB-OD2 3.26Å; T72-D89 WeakPolarHBondContact CB-OD2 3.2Å; T72-D89 VanDerWaalsContact CG2-OD2 3.23Å; T72-D89 WeakPolarHBondContact CG2-OD2 3.42Å; T72-D89 PolarHBondContact OG1-OD2 3.42Å |
| 73 | Q | 88 | Confident | 87.8 | Confident | 23 Ų | 23 | 29.3 Ų | 29.3 | 11% | 0.107 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.4 | -178.8 | -78.3 | 179.3 | 32 | 0 | 0 | 112.7 | C68 I70 I86 K87 | C68-Q73 HydrophobicContact CB-CB 3.75Å; C68-Q73 WeakPolarHBondContact CB-O 3.35Å; C68-Q73 PolarHBondContact N-O 3.39Å; I70-Q73 PolarHBondContact O-N 3.46Å; Q73-I86 CarbonylContact C-O 3.47Å; Q73-I86 WeakPolarHBondContact CA-O 3.45Å; Q73-K87 HydrophobicContact CG-CD 4.4Å; Q73-K87 HydrophobicContact CG-CG 3.52Å |
| 74 | F | 91.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.4 | -179.8 | -61.7 | -92.2 | 0 | 0 | 0 | 110 | V27 V29 L35 I65 A66 R67 P71 V85 I86 L88 | V27-F74 HydrophobicContact CG1-CD1 4.37Å; V27-F74 HydrophobicContact CG1-CE1 3.97Å; V29-F74 HydrophobicContact CB-CZ 4.13Å; V29-F74 HydrophobicContact CG1-CE2 4.39Å; V29-F74 HydrophobicContact CG1-CZ 4.01Å; V29-F74 HydrophobicContact CG2-CE1 4.14Å; V29-F74 HydrophobicContact CG2-CE2 4.33Å; V29-F74 HydrophobicContact CG2-CZ 3.69Å; L35-F74 HydrophobicContact CD2-CD1 4.42Å; L35-F74 HydrophobicContact CD2-CG 4.48Å; I65-F74 HydrophobicContact CG2-CD1 4.44Å; A66-F74 WeakPolarHBondContact O-CA 3.3Å; R67-F74 HydrophobicContact CB-CE1 4.36Å; R67-F74 HydrophobicContact CG-CD1 4.33Å; R67-F74 HydrophobicContact CG-CE1 3.75Å; R67-F74 HydrophobicContact CG-CZ 4.36Å; P71-F74 WeakPolarHBondContact O-CE2 3.4Å; P71-F74 WeakPolarHBondContact O-CZ 3.41Å; F74-V85 CarbonylContact O-C 3.54Å; F74-V85 WeakPolarHBondContact O-CA 3.38Å; F74-I86 PolarHBondContact N-O 2.9Å; F74-I86 PolarHBondContact O-N 3.2Å; F74-L88 HydrophobicContact CD2-CD1 4.02Å; F74-L88 HydrophobicContact CD2-CG 4.04Å; F74-L88 HydrophobicContact CE2-CD1 3.32Å; F74-L88 HydrophobicContact CE2-CG 3.82Å; F74-L88 HydrophobicContact CZ-CD1 4.07Å |
| 75 | A | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 132 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | I65 A66 I83 N84 I109 F111 I118 | I65-A75 CarbonylContact C-O 3.52Å; I65-A75 WeakPolarHBondContact CA-O 3.22Å; A66-A75 PolarHBondContact N-O 3.05Å; A66-A75 PolarHBondContact O-N 3.4Å; A75-I83 HydrophobicContact CB-CG2 4.3Å; A75-N84 CarbonylContact C-O 3.53Å; A75-N84 WeakPolarHBondContact CA-O 3.44Å; A75-I109 HydrophobicContact CB-CD1 4.32Å; A75-I109 HydrophobicContact CB-CG2 3.9Å; A75-F111 HydrophobicContact CB-CE2 3.55Å; A75-F111 HydrophobicContact CB-CZ 3.47Å; A75-F111 VanDerWaalsContact CB-CZ 3.47Å; A75-I118 HydrophobicContact CB-CD1 4.14Å |
| 76 | V | 91.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 117.5 | -176.8 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | V42 V62 V64 I65 I83 N84 I86 | V42-V76 HydrophobicContact CG2-CB 4.44Å; V42-V76 HydrophobicContact CG2-CG1 3.79Å; V42-V76 HydrophobicContact CG2-CG2 4.01Å; V62-V76 HydrophobicContact CB-CG1 4.24Å; V62-V76 HydrophobicContact CG1-CG1 3.47Å; V62-V76 VanDerWaalsContact CG1-CG1 3.47Å; V62-V76 HydrophobicContact CG2-CG1 3.85Å; V64-V76 CarbonylContact O-C 3.6Å; V64-V76 WeakPolarHBondContact O-CA 3.44Å; I65-V76 HydrophobicContact CG1-CG1 4.41Å; I65-V76 HydrophobicContact CG1-CG2 4.26Å; V76-I83 CarbonylContact O-C 3.59Å; V76-I83 VanDerWaalsContact O-CA 3.22Å; V76-I83 WeakPolarHBondContact O-CA 3.26Å; V76-N84 PolarHBondContact N-O 2.76Å; V76-N84 PolarHBondContact O-N 3.01Å; V76-I86 HydrophobicContact CB-CD1 4.35Å; V76-I86 HydrophobicContact CG2-CD1 3.56Å; V76-I86 HydrophobicContact CG2-CG1 4.23Å |
| 77 | G | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T63 V64 I109 | T63-G77 PolarHBondContact N-O 3.46Å; T63-G77 PolarHBondContact OG1-O 2.69Å; T63-G77 VanDerWaalsContact OG1-O 3.11Å; V64-G77 PolarHBondContact N-O 3.26Å; V64-G77 PolarHBondContact O-N 3.34Å; G77-I109 VanDerWaalsContact N-CD1 3.34Å |
| 78 | L | 92.2 | Very high | 86.9 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 157.4 | -176.2 | -62.6 | 165.1 | 0 | 0 | 0 | 111.2 | A58 A60 M61 V62 N80 G81 S82 V106 | A58-L78 HydrophobicContact CB-CD1 3.91Å; A58-L78 HydrophobicContact CB-CD2 3.57Å; A58-L78 HydrophobicContact CB-CG 4.42Å; A60-L78 HydrophobicContact CB-CB 4.27Å; A60-L78 WeakPolarHBondContact O-CD2 3.35Å; M61-L78 CarbonylContact O-C 3.6Å; M61-L78 WeakPolarHBondContact O-CA 3.49Å; V62-L78 HydrophobicContact CG2-CD2 3.85Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 WeakPolarHBondContact CB-OD1 3.19Å; L78-N80 PolarHBondContact O-N 3.39Å; L78-G81 PolarHBondContact O-N 2.98Å; L78-G81 VanDerWaalsContact O-N 3.12Å; L78-S82 WeakPolarHBondContact CB-O 3.33Å; L78-S82 WeakPolarHBondContact CD1-OG 3.43Å; L78-S82 PolarHBondContact N-O 2.9Å; L78-V106 PolarHBondContact O-N 2.82Å |
| 79 | A | 89.7 | Confident | 86.3 | Confident | 36 Ų | 36 | 30.2 Ų | 30.2 | 30% | 0.298 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -22 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | M61 T63 G81 A105 | M61-A79 HydrophobicContact CB-CB 3.95Å; M61-A79 WeakPolarHBondContact O-CB 3.26Å; M61-A79 PolarHBondContact O-N 3.4Å; T63-A79 HydrophobicContact CG2-CB 4Å; A79-G81 VanDerWaalsContact C-N 3.29Å; A79-A105 HydrophobicContact CB-CB 4.38Å; A79-A105 WeakPolarHBondContact O-CA 3.44Å; A79-A105 WeakPolarHBondContact O-CB 3.22Å; A79-A105 PolarHBondContact O-N 2.86Å |
| 80 | N | 85.2 | Confident | 85.7 | Confident | 69 Ų | 69 | 29.7 Ų | 29.7 | 37% | 0.369 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -8.2 | 173.4 | 64.6 | -8.2 | 0 | 0 | 0 | 113.2 | A60 L78 S82 | A60-N80 HydrophobicContact CB-CB 3.83Å; L78-N80 VanDerWaalsContact C-N 3.26Å; L78-N80 WeakPolarHBondContact CB-OD1 3.19Å; L78-N80 PolarHBondContact O-N 3.39Å; N80-S82 PolarHBondContact ND2-OG 3.45Å; N80-S82 PolarHBondContact OD1-N 3.28Å; N80-S82 VanDerWaalsContact OD1-N 3.08Å; N80-S82 PolarHBondContact OD1-OG 3.23Å |
| 81 | G | 85.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 96.8 | 2.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L78 A79 H102 S104 | L78-G81 PolarHBondContact O-N 2.98Å; L78-G81 VanDerWaalsContact O-N 3.12Å; A79-G81 VanDerWaalsContact C-N 3.29Å; G81-H102 PolarHBondContact O-N 3.38Å; G81-S104 WeakPolarHBondContact CA-O 3.28Å |
| 82 | S | 88.7 | Confident | 84.1 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 10% | 0.098 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 156.6 | 171.8 | 56 | 0 | 0 | 0 | 0 | 112.3 | L78 N80 F99 | L78-S82 WeakPolarHBondContact CB-O 3.33Å; L78-S82 WeakPolarHBondContact CD1-OG 3.43Å; L78-S82 PolarHBondContact N-O 2.9Å; N80-S82 PolarHBondContact ND2-OG 3.45Å; N80-S82 PolarHBondContact OD1-N 3.28Å; N80-S82 VanDerWaalsContact OD1-N 3.08Å; N80-S82 PolarHBondContact OD1-OG 3.23Å; S82-F99 CarbonylContact C-O 3.54Å; S82-F99 WeakPolarHBondContact CA-O 3.2Å |
| 83 | I | 91.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.2 | 178.3 | -56.1 | 157.3 | 0 | 0 | 0 | 107.8 | A75 V76 T98 F99 V106 I109 S120 W130 | A75-I83 HydrophobicContact CB-CG2 4.3Å; V76-I83 CarbonylContact O-C 3.59Å; V76-I83 VanDerWaalsContact O-CA 3.22Å; V76-I83 WeakPolarHBondContact O-CA 3.26Å; I83-T98 WeakPolarHBondContact O-CA 3.33Å; I83-F99 HydrophobicContact CB-CB 4.2Å; I83-F99 HydrophobicContact CB-CD2 4.47Å; I83-F99 HydrophobicContact CG2-CD2 4.48Å; I83-F99 PolarHBondContact N-O 3.18Å; I83-F99 PolarHBondContact O-N 3.08Å; I83-V106 HydrophobicContact CD1-CG2 4.41Å; I83-V106 HydrophobicContact CG1-CG1 4.47Å; I83-V106 HydrophobicContact CG1-CG2 3.87Å; I83-I109 HydrophobicContact CG1-CD1 4.47Å; I83-I109 HydrophobicContact CG2-CD1 3.94Å; I83-S120 WeakPolarHBondContact CD1-OG 3.24Å; I83-W130 HydrophobicContact CD1-CZ2 4.5Å |
| 84 | N | 90.9 | Very high | 82.4 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.1 | 177.4 | -68.1 | -7.9 | 0 | 0 | 0 | 109.3 | H56 A75 V76 L95 V97 T98 | H56-N84 PolarHBondContact NE2-ND2 3.42Å; A75-N84 CarbonylContact C-O 3.53Å; A75-N84 WeakPolarHBondContact CA-O 3.44Å; V76-N84 PolarHBondContact N-O 2.76Å; V76-N84 PolarHBondContact O-N 3.01Å; N84-L95 HydrophobicContact CB-CD1 3.79Å; N84-L95 WeakPolarHBondContact ND2-CD1 3.43Å; N84-V97 WeakPolarHBondContact CA-O 3.23Å; N84-T98 VanDerWaalsContact OD1-CG2 3.23Å; N84-T98 WeakPolarHBondContact OD1-CG2 3.48Å; N84-T98 PolarHBondContact OD1-OG1 3.35Å; N84-T98 VanDerWaalsContact OD1-OG1 3.05Å |
| 85 | V | 90.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.3 | 170.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | F74 K96 V97 F99 I118 | F74-V85 CarbonylContact O-C 3.54Å; F74-V85 WeakPolarHBondContact O-CA 3.38Å; V85-K96 WeakPolarHBondContact O-CB 3.4Å; V85-K96 PolarHBondContact O-N 3.26Å; V85-V97 HydrophobicContact CB-CB 4.43Å; V85-V97 PolarHBondContact N-O 3.24Å; V85-V97 PolarHBondContact O-N 3.41Å; V85-F99 HydrophobicContact CG2-CD2 4.14Å; V85-F99 HydrophobicContact CG2-CE2 3.62Å; V85-I118 HydrophobicContact CG2-CD1 3.84Å |
| 86 | I | 88.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.3 | -173.2 | -53.8 | -179.8 | 0 | 0 | 0 | 109.4 | V42 I55 H56 Q73 F74 V76 P94 | V42-I86 HydrophobicContact CB-CD1 4.38Å; V42-I86 HydrophobicContact CG1-CD1 4.37Å; V42-I86 HydrophobicContact CG2-CD1 4.1Å; I55-I86 HydrophobicContact CG2-CG2 3.81Å; H56-I86 HydrophobicContact CB-CD1 3.89Å; Q73-I86 CarbonylContact C-O 3.47Å; Q73-I86 WeakPolarHBondContact CA-O 3.45Å; F74-I86 PolarHBondContact N-O 2.9Å; F74-I86 PolarHBondContact O-N 3.2Å; V76-I86 HydrophobicContact CB-CD1 4.35Å; V76-I86 HydrophobicContact CG2-CD1 3.56Å; V76-I86 HydrophobicContact CG2-CG1 4.23Å; I86-P94 CarbonylContact C-O 3.52Å; I86-P94 VanDerWaalsContact CA-O 3.22Å; I86-P94 WeakPolarHBondContact CA-O 3.33Å; I86-P94 HydrophobicContact CG2-CB 3.93Å; I86-P94 WeakPolarHBondContact CG2-O 3.29Å |
| 87 | K | 85.5 | Confident | 80.3 | Confident | 51 Ų | 51 | 51.9 Ų | 51.9 | 22% | 0.222 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.4 | 167.6 | -81.4 | 175.7 | 167.6 | -174.4 | 0 | 109.8 | T72 Q73 P94 K96 | T72-K87 CarbonylContact O-C 3.58Å; T72-K87 VanDerWaalsContact O-CA 3.3Å; T72-K87 WeakPolarHBondContact O-CA 3.37Å; Q73-K87 HydrophobicContact CG-CD 4.4Å; Q73-K87 HydrophobicContact CG-CG 3.52Å; K87-P94 PolarHBondContact N-O 2.95Å; K87-P94 WeakPolarHBondContact O-CA 3.39Å; K87-P94 WeakPolarHBondContact O-CB 3.5Å; K87-K96 HydrophobicContact CD-CD 4.16Å; K87-K96 HydrophobicContact CD-CG 4.48Å |
| 88 | L | 79.7 | Confident | 80 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 24% | 0.241 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -82.4 | -16.6 | -178.6 | -68.7 | 178.2 | 0 | 0 | 0 | 114.5 | V29 L35 I55 T72 F74 | V29-L88 HydrophobicContact CB-CD1 4.35Å; V29-L88 HydrophobicContact CG1-CD1 3.4Å; V29-L88 HydrophobicContact CG2-CD1 3.99Å; L35-L88 HydrophobicContact CD1-CD2 4.13Å; I55-L88 HydrophobicContact CD1-CD2 3.31Å; I55-L88 HydrophobicContact CG1-CD2 4.11Å; I55-L88 HydrophobicContact CG2-CD2 4.29Å; T72-L88 PolarHBondContact O-N 3.4Å; F74-L88 HydrophobicContact CD2-CD1 4.02Å; F74-L88 HydrophobicContact CD2-CG 4.04Å; F74-L88 HydrophobicContact CE2-CD1 3.32Å; F74-L88 HydrophobicContact CE2-CG 3.82Å; F74-L88 HydrophobicContact CZ-CD1 4.07Å |
| 89 | D | 73.2 | Confident | 79.7 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 59% | 0.594 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -83.5 | -22.5 | -173.1 | -61.1 | -35.1 | 0 | 0 | 0 | 113.2 | T72 Q91 | T72-D89 VanDerWaalsContact CB-OD2 3.26Å; T72-D89 WeakPolarHBondContact CB-OD2 3.2Å; T72-D89 VanDerWaalsContact CG2-OD2 3.23Å; T72-D89 WeakPolarHBondContact CG2-OD2 3.42Å; T72-D89 PolarHBondContact OG1-OD2 3.42Å; D89-Q91 PolarHBondContact O-N 3.25Å |
| 90 | D | 64.4 | Low | 79.4 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 43% | 0.433 | 27% | 0.273 | S | S | . | . | trans | -87.6 | 105.3 | -175.5 | -64.6 | -35.6 | 0 | 0 | 0 | 109.2 | E92 | D90-E92 VanDerWaalsContact C-N 3.32Å; D90-E92 PolarHBondContact O-N 3.37Å | ||
| 91 | Q | 60.7 | Low | 79 | Confident | 196 Ų | 196 | 50.3 Ų | 50.3 | 92% | 0.916 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -71.8 | -23.9 | -178.7 | -70.8 | -162.6 | -11.1 | 0 | 0 | 113.8 | D89 | D89-Q91 PolarHBondContact O-N 3.25Š|
| 92 | E | 61.1 | Low | 79 | Confident | 189 Ų | 189 | 50.3 Ų | 50.3 | 88% | 0.883 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -88.4 | -37.1 | -174.1 | -66.4 | -176.1 | 167.4 | 0 | 0 | 112.3 | D90 | D90-E92 VanDerWaalsContact C-N 3.32Å; D90-E92 PolarHBondContact O-N 3.37Å |
| 93 | D | 64.1 | Low | 78.7 | Confident | 122 Ų | 122 | 53.7 Ų | 53.7 | 65% | 0.652 | 27% | 0.269 | S | S | * | . | trans | -150.3 | 103 | 172.5 | -94.8 | -41 | 0 | 0 | 0 | 110.1 | L95 | D93-L95 PolarHBondContact O-N 3.43Š| ||
| 94 | P | 71 | Confident | 78.6 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | trans | -74.5 | -17.2 | 179.5 | 29.2 | -32.1 | 0 | 0 | 0 | 111.6 | I55 I86 K87 K96 | I55-P94 HydrophobicContact CG2-CB 3.62Å; I55-P94 HydrophobicContact CG2-CG 3.77Å; I55-P94 WeakPolarHBondContact O-CG 3.47Å; I86-P94 CarbonylContact C-O 3.52Å; I86-P94 VanDerWaalsContact CA-O 3.22Å; I86-P94 WeakPolarHBondContact CA-O 3.33Å; I86-P94 HydrophobicContact CG2-CB 3.93Å; I86-P94 WeakPolarHBondContact CG2-O 3.29Å; K87-P94 PolarHBondContact N-O 2.95Å; K87-P94 WeakPolarHBondContact O-CA 3.39Å; K87-P94 WeakPolarHBondContact O-CB 3.5Å; P94-K96 PolarHBondContact O-N 3.28Å | ||
| 95 | L | 73.2 | Confident | 78.6 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 114.7 | 176.9 | -174.3 | 130 | 0 | 0 | 0 | 110.2 | H56 N84 D93 | H56-L95 WeakPolarHBondContact CE1-CD1 3.4Å; H56-L95 WeakPolarHBondContact NE2-CD1 3.22Å; N84-L95 HydrophobicContact CB-CD1 3.79Å; N84-L95 WeakPolarHBondContact ND2-CD1 3.43Å; D93-L95 PolarHBondContact O-N 3.43Å |
| 96 | K | 75 | Confident | 78.8 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 35% | 0.352 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -48.8 | 177.4 | -162.4 | -162.5 | 176.7 | -153.7 | 0 | 111.6 | V85 K87 P94 | V85-K96 WeakPolarHBondContact O-CB 3.4Å; V85-K96 PolarHBondContact O-N 3.26Å; K87-K96 HydrophobicContact CD-CD 4.16Å; K87-K96 HydrophobicContact CD-CG 4.48Å; P94-K96 PolarHBondContact O-N 3.28Å |
| 97 | V | 82.7 | Confident | 79 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 140.5 | -170.2 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | N84 V85 F99 E135 | N84-V97 WeakPolarHBondContact CA-O 3.23Å; V85-V97 HydrophobicContact CB-CB 4.43Å; V85-V97 PolarHBondContact N-O 3.24Å; V85-V97 PolarHBondContact O-N 3.41Å; V97-F99 HydrophobicContact CB-CZ 4.45Å; V97-F99 HydrophobicContact CG1-CD1 4.14Å; V97-F99 HydrophobicContact CG1-CE1 3.68Å; V97-F99 HydrophobicContact CG1-CE2 4.33Å; V97-F99 HydrophobicContact CG1-CZ 3.8Å; V97-E135 HydrophobicContact CG1-CB 4.06Å; V97-E135 HydrophobicContact CG1-CG 3.97Å; V97-E135 HydrophobicContact CG2-CG 3.75Å; V97-E135 VanDerWaalsContact CG2-OE1 3.29Å; V97-E135 WeakPolarHBondContact CG2-OE1 3.22Å |
| 98 | T | 85.7 | Confident | 79.4 | Confident | 54 Ų | 54 | 56 Ų | 56 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.4 | 168.5 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | I83 N84 S782 | I83-T98 WeakPolarHBondContact O-CA 3.33Å; N84-T98 VanDerWaalsContact OD1-CG2 3.23Å; N84-T98 WeakPolarHBondContact OD1-CG2 3.48Å; N84-T98 PolarHBondContact OD1-OG1 3.35Å; N84-T98 VanDerWaalsContact OD1-OG1 3.05Å; T98-S782 PolarHBondContact O-OG 2.93Å |
| 99 | F | 86.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.2 | 172.3 | -60.7 | -58.7 | 0 | 0 | 0 | 109.8 | S82 I83 V85 V97 I118 W130 E135 | S82-F99 CarbonylContact C-O 3.54Å; S82-F99 WeakPolarHBondContact CA-O 3.2Å; I83-F99 HydrophobicContact CB-CB 4.2Å; I83-F99 HydrophobicContact CB-CD2 4.47Å; I83-F99 HydrophobicContact CG2-CD2 4.48Å; I83-F99 PolarHBondContact N-O 3.18Å; I83-F99 PolarHBondContact O-N 3.08Å; V85-F99 HydrophobicContact CG2-CD2 4.14Å; V85-F99 HydrophobicContact CG2-CE2 3.62Å; V97-F99 HydrophobicContact CB-CZ 4.45Å; V97-F99 HydrophobicContact CG1-CD1 4.14Å; V97-F99 HydrophobicContact CG1-CE1 3.68Å; V97-F99 HydrophobicContact CG1-CE2 4.33Å; V97-F99 HydrophobicContact CG1-CZ 3.8Å; F99-I118 HydrophobicContact CE2-CD1 4.34Å; F99-W130 HydrophobicContact CB-CD2 3.9Å; F99-W130 HydrophobicContact CB-CE3 3.77Å; F99-W130 HydrophobicContact CB-CH2 3.95Å; F99-W130 HydrophobicContact CB-CZ2 4.03Å; F99-W130 HydrophobicContact CB-CZ3 3.82Å; F99-W130 HydrophobicContact CD1-CD2 4.04Å; F99-W130 AromaticContact CD1-CE3 3.41Å; F99-W130 HydrophobicContact CD1-CE3 3.41Å; F99-W130 VanDerWaalsContact CD1-CE3 3.41Å; F99-W130 AromaticContact CD1-CZ3 3.88Å; F99-W130 HydrophobicContact CD1-CZ3 3.88Å; F99-W130 HydrophobicContact CD2-CB 4.37Å; F99-W130 HydrophobicContact CD2-CD2 4.29Å; F99-W130 HydrophobicContact CD2-CE3 4.46Å; F99-W130 HydrophobicContact CD2-CG 4.25Å; F99-W130 HydrophobicContact CE1-CE3 4.07Å; F99-W130 HydrophobicContact CE2-CB 4.19Å; F99-W130 AromaticContact CG-CD2 3.83Å; F99-W130 HydrophobicContact CG-CD2 3.83Å; F99-W130 AromaticContact CG-CE3 3.64Å; F99-W130 HydrophobicContact CG-CE3 3.64Å; F99-W130 HydrophobicContact CG-CG 4.26Å; F99-W130 HydrophobicContact CG-CZ3 4.13Å; F99-W130 HydrophobicContact CZ-CB 4.28Å; F99-E135 HydrophobicContact CE1-CB 4.44Å |
| 100 | S | 82.8 | Confident | 81 | Confident | 19 Ų | 19 | 50 Ų | 50 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 109.1 | 175 | 54.5 | 0 | 0 | 0 | 0 | 110.1 | A722 K723 | S100-A722 CarbonylContact O-C 3.54Å; S100-A722 VanDerWaalsContact O-CA 3.24Å; S100-A722 WeakPolarHBondContact O-CA 3.25Å; S100-K723 PolarHBondContact O-N 2.93Å |
| 101 | G | 77.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | trans | -150.4 | -34.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | A721 | G101-A721 CarbonylContact C-O 3.53Å; G101-A721 WeakPolarHBondContact CA-O 3.35Å | ||
| 102 | H | 86.1 | Confident | 83.8 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -73.3 | 145.2 | 175.2 | -66.4 | -74 | 0 | 0 | 0 | 110.4 | G81 S104 S120 G122 D124 I126 | G81-H102 PolarHBondContact O-N 3.38Å; H102-S104 VanDerWaalsContact C-N 3.32Å; H102-S104 WeakPolarHBondContact CB-O 3.42Å; H102-S120 PolarHBondContact CE1-O 3.46Å; H102-S120 PolarHBondContact NE2-O 3.42Å; H102-S120 PolarHBondContact NE2-OG 3.03Å; H102-G122 PolarHBondContact CE1-N 3.15Å; H102-D124 IonicContact ND1-OD1 3.16Å; H102-I126 PolarHBondContact CE1-O 3.41Å; H102-I126 VanDerWaalsContact CE1-O 3.24Å | ||
| 103 | K | 82.3 | Confident | 84.9 | Confident | 85 Ų | 85 | 34.3 Ų | 34.3 | 37% | 0.37 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -82 | -17.6 | 176.1 | -68.8 | -170.7 | 174.3 | -164.3 | 0 | 113 | D124 D707 | K103-D124 PolarHBondContact N-OD2 3.41Å; K103-D707 WeakPolarHBondContact CE-OD1 3.33Å; K103-D707 VanDerWaalsContact NZ-CG 3.35Å; K103-D707 IonicContact NZ-OD1 2.76Å; K103-D707 PolarHBondContact NZ-OD1 2.98Å; K103-D707 IonicContact NZ-OD2 3.22Å |
| 104 | S | 88.1 | Confident | 85.9 | Confident | 32 Ų | 32 | 33.7 Ų | 33.7 | 22% | 0.224 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -141.3 | 175.1 | -172.9 | 67.1 | 0 | 0 | 0 | 0 | 109.8 | G81 H102 V106 K123 D124 | G81-S104 WeakPolarHBondContact CA-O 3.28Å; H102-S104 VanDerWaalsContact C-N 3.32Å; H102-S104 WeakPolarHBondContact CB-O 3.42Å; S104-V106 PolarHBondContact O-N 3.2Å; S104-K123 WeakPolarHBondContact OG-CB 3.48Å; S104-K123 PolarHBondContact OG-N 3.31Å; S104-D124 WeakPolarHBondContact OG-CB 3.43Å; S104-D124 PolarHBondContact OG-N 3.48Å |
| 105 | A | 91.3 | Very high | 86.5 | Confident | 21 Ų | 21 | 32.7 Ų | 32.7 | 17% | 0.174 | 18% | 0.177 | C | C | . | . | trans | -45.7 | 132.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T63 A79 K123 | T63-A105 HydrophobicContact CG2-CB 4.38Å; A79-A105 HydrophobicContact CB-CB 4.38Å; A79-A105 WeakPolarHBondContact O-CA 3.44Å; A79-A105 WeakPolarHBondContact O-CB 3.22Å; A79-A105 PolarHBondContact O-N 2.86Å; A105-K123 PolarHBondContact O-N 3.26Å | ||
| 106 | V | 94.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.3 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | T63 L78 I83 S104 I109 | T63-V106 WeakPolarHBondContact CB-O 3.42Å; T63-V106 PolarHBondContact OG1-O 2.65Å; L78-V106 PolarHBondContact O-N 2.82Å; I83-V106 HydrophobicContact CD1-CG2 4.41Å; I83-V106 HydrophobicContact CG1-CG1 4.47Å; I83-V106 HydrophobicContact CG1-CG2 3.87Å; S104-V106 PolarHBondContact O-N 3.2Å; V106-I109 HydrophobicContact CG1-CD1 4.03Å; V106-I109 HydrophobicContact CG1-CG1 3.69Å |
| 107 | T | 93.7 | Very high | 87.9 | Confident | 46 Ų | 46 | 32 Ų | 32 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -26.8 | -175.3 | 53.7 | 0 | 0 | 0 | 0 | 113.7 | V64 G121 K123 I148 | V64-T107 VanDerWaalsContact CG2-O 3.31Å; V64-T107 WeakPolarHBondContact CG2-O 3.38Å; T107-G121 PolarHBondContact N-O 3.12Å; T107-G121 PolarHBondContact OG1-O 3.48Å; T107-G121 VanDerWaalsContact OG1-O 3.11Å; T107-K123 HydrophobicContact CG2-CB 4.01Å; T107-I148 WeakPolarHBondContact CB-O 3.32Å; T107-I148 PolarHBondContact OG1-O 3.34Å |
| 108 | C | 93.3 | Very high | 88.4 | Confident | 9 Ų | 9 | 31.7 Ų | 31.7 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 148.2 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 109.5 | S120 G121 C151 | C108-S120 WeakPolarHBondContact O-CA 3.25Å; C108-G121 PolarHBondContact N-O 2.96Å; C108-G121 PolarHBondContact O-N 3.43Å; C108-G121 WeakPolarHBondContact SG-CA 3.43Å; C108-G121 PolarHBondContact SG-N 3.21Å; C108-C151 HydrophobicContact CB-CB 3.95Å; C108-C151 WeakPolarHBondContact CB-SG 3.22Å; C108-C151 WeakPolarHBondContact SG-CB 3.28Å; C108-C151 CovalentContact SG-SG 2.06Å; C108-C151 PolarHBondContact SG-SG 3.46Å |
| 109 | I | 94.7 | Very high | 88.8 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 9% | 0.092 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 138.5 | 165.8 | -59.9 | 176.9 | 0 | 0 | 0 | 107.7 | V64 A66 A75 G77 I83 V106 I118 A119 | V64-I109 HydrophobicContact CG1-CB 4.23Å; V64-I109 HydrophobicContact CG1-CD1 4.39Å; V64-I109 HydrophobicContact CG1-CG1 4.17Å; A66-I109 HydrophobicContact CB-CB 3.76Å; A66-I109 HydrophobicContact CB-CG2 3.68Å; A75-I109 HydrophobicContact CB-CD1 4.32Å; A75-I109 HydrophobicContact CB-CG2 3.9Å; G77-I109 VanDerWaalsContact N-CD1 3.34Å; I83-I109 HydrophobicContact CG1-CD1 4.47Å; I83-I109 HydrophobicContact CG2-CD1 3.94Å; V106-I109 HydrophobicContact CG1-CD1 4.03Å; V106-I109 HydrophobicContact CG1-CG1 3.69Å; I109-I118 HydrophobicContact CG2-CG2 3.6Å; I109-A119 CarbonylContact C-O 3.5Å; I109-A119 WeakPolarHBondContact CA-O 3.48Å |
| 110 | A | 93.1 | Very high | 89.2 | Confident | 13 Ų | 13 | 29.1 Ų | 29.1 | 11% | 0.107 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I118 A119 C151 F153 | A110-I118 CarbonylContact O-C 3.53Å; A110-I118 WeakPolarHBondContact O-CA 3.45Å; A110-A119 PolarHBondContact N-O 2.94Å; A110-A119 PolarHBondContact O-N 2.96Å; A110-C151 HydrophobicContact CB-CB 4.41Å; A110-C151 WeakPolarHBondContact CB-O 3.49Å; A110-F153 HydrophobicContact CB-CD2 4.1Å; A110-F153 HydrophobicContact CB-CE2 4.31Å; A110-F153 WeakPolarHBondContact O-CE2 3.14Å |
| 111 | F | 91.9 | Very high | 89.7 | Confident | 25 Ų | 25 | 28.2 Ų | 28.2 | 11% | 0.11 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 147.9 | 169.1 | -78.1 | -89.9 | 0 | 0 | 0 | 110.3 | A66 R67 C68 A75 I118 F153 | A66-F111 HydrophobicContact CB-CD2 4.15Å; A66-F111 HydrophobicContact CB-CE2 4.06Å; R67-F111 WeakPolarHBondContact O-CD2 3.3Å; C68-F111 HydrophobicContact CB-CD1 3.99Å; C68-F111 HydrophobicContact CB-CD2 4.28Å; C68-F111 HydrophobicContact CB-CE1 3.79Å; C68-F111 HydrophobicContact CB-CE2 4.1Å; C68-F111 HydrophobicContact CB-CG 4.22Å; C68-F111 HydrophobicContact CB-CZ 3.84Å; A75-F111 HydrophobicContact CB-CE2 3.55Å; A75-F111 HydrophobicContact CB-CZ 3.47Å; A75-F111 VanDerWaalsContact CB-CZ 3.47Å; F111-I118 HydrophobicContact CD1-CD1 4.25Å; F111-I118 HydrophobicContact CD1-CG1 3.62Å; F111-I118 HydrophobicContact CE1-CD1 3.52Å; F111-I118 HydrophobicContact CE1-CG1 3.42Å; F111-I118 VanDerWaalsContact CE1-CG1 3.42Å; F111-I118 HydrophobicContact CG-CG1 4.38Å; F111-I118 HydrophobicContact CZ-CD1 3.82Å; F111-I118 HydrophobicContact CZ-CG1 4.03Å; F111-F153 WeakPolarHBondContact O-CD2 3.5Å |
| 112 | D | 90.2 | Very high | 90.5 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 16% | 0.155 | 15% | 0.153 | C | C | . | . | trans | -69.2 | 163.8 | 165.2 | 179.1 | 42.4 | 0 | 0 | 0 | 111.6 | N114 G115 T117 F153 | D112-N114 PolarHBondContact O-N 2.89Å; D112-N114 VanDerWaalsContact O-N 3.16Å; D112-N114 PolarHBondContact OD2-N 3.11Å; D112-N114 PolarHBondContact OD2-ND2 2.87Å; D112-N114 VanDerWaalsContact OD2-ND2 3.09Å; D112-G115 PolarHBondContact O-N 3.02Å; D112-T117 WeakPolarHBondContact CB-OG1 3.43Å; D112-T117 PolarHBondContact N-O 3.49Å; D112-F153 HydrophobicContact CB-CD2 4.34Å; D112-F153 HydrophobicContact CB-CE2 4.39Å | ||
| 113 | E | 85 | Confident | 90.8 | Very high | 82 Ų | 82 | 34.3 Ų | 34.3 | 38% | 0.383 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -33.7 | 177 | -74 | -173.7 | -92.4 | 0 | 0 | 113.2 | V69 P155 N156 | V69-E113 WeakPolarHBondContact CG2-O 3.24Å; E113-P155 VanDerWaalsContact CD-CA 3.42Å; E113-P155 HydrophobicContact CG-CB 3.76Å; E113-P155 WeakPolarHBondContact OE1-CA 3.36Å; E113-P155 WeakPolarHBondContact OE1-CB 3.37Å; E113-P155 VanDerWaalsContact OE2-CB 3.24Å; E113-P155 WeakPolarHBondContact OE2-CB 3.41Å; E113-N156 PolarHBondContact OE1-N 3Å |
| 114 | N | 84.6 | Confident | 91.1 | Very high | 108 Ų | 108 | 32.4 Ų | 32.4 | 58% | 0.578 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -11.2 | -179.9 | -55.5 | -58.3 | 0 | 0 | 0 | 112.6 | D112 L116 | D112-N114 PolarHBondContact O-N 2.89Å; D112-N114 VanDerWaalsContact O-N 3.16Å; D112-N114 PolarHBondContact OD2-N 3.11Å; D112-N114 PolarHBondContact OD2-ND2 2.87Å; D112-N114 VanDerWaalsContact OD2-ND2 3.09Å; N114-L116 HydrophobicContact CB-CD1 3.97Å; N114-L116 HydrophobicContact CB-CG 4.05Å; N114-L116 PolarHBondContact O-N 3.11Å |
| 115 | G | 83.9 | Confident | 91.2 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 70.5 | 6.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | C68 D112 | C68-G115 VanDerWaalsContact SG-CA 3.57Å; D112-G115 PolarHBondContact O-N 3.02Å |
| 116 | L | 87.2 | Confident | 91.2 | Very high | 89 Ų | 89 | 30.9 Ų | 30.9 | 47% | 0.466 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -86 | -32.4 | -176.7 | -63 | 170.5 | 0 | 0 | 0 | 112.5 | N114 V132 V133 | N114-L116 HydrophobicContact CB-CD1 3.97Å; N114-L116 HydrophobicContact CB-CG 4.05Å; N114-L116 PolarHBondContact O-N 3.11Å; L116-V132 WeakPolarHBondContact O-CB 3.07Å; L116-V132 WeakPolarHBondContact O-CG2 3.33Å; L116-V132 PolarHBondContact O-N 2.91Å; L116-V133 HydrophobicContact CD2-CG2 3.68Å |
| 117 | T | 90.8 | Very high | 91.2 | Very high | 29 Ų | 29 | 30.8 Ų | 30.8 | 18% | 0.178 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.5 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | D112 W130 L138 | D112-T117 WeakPolarHBondContact CB-OG1 3.43Å; D112-T117 PolarHBondContact N-O 3.49Å; T117-W130 CarbonylContact C-O 3.48Å; T117-W130 VanDerWaalsContact CA-O 3.25Å; T117-W130 WeakPolarHBondContact CA-O 3.19Å; T117-L138 HydrophobicContact CG2-CD1 4.44Å |
| 118 | I | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.4 | 178 | -63 | 171.3 | 0 | 0 | 0 | 108.6 | A75 V85 F99 I109 A110 F111 L129 W130 V132 | A75-I118 HydrophobicContact CB-CD1 4.14Å; V85-I118 HydrophobicContact CG2-CD1 3.84Å; F99-I118 HydrophobicContact CE2-CD1 4.34Å; I109-I118 HydrophobicContact CG2-CG2 3.6Å; A110-I118 CarbonylContact O-C 3.53Å; A110-I118 WeakPolarHBondContact O-CA 3.45Å; F111-I118 HydrophobicContact CD1-CD1 4.25Å; F111-I118 HydrophobicContact CD1-CG1 3.62Å; F111-I118 HydrophobicContact CE1-CD1 3.52Å; F111-I118 HydrophobicContact CE1-CG1 3.42Å; F111-I118 VanDerWaalsContact CE1-CG1 3.42Å; F111-I118 HydrophobicContact CG-CG1 4.38Å; F111-I118 HydrophobicContact CZ-CD1 3.82Å; F111-I118 HydrophobicContact CZ-CG1 4.03Å; I118-L129 CarbonylContact O-C 3.59Å; I118-L129 WeakPolarHBondContact O-CA 3.33Å; I118-W130 HydrophobicContact CB-CB 4.26Å; I118-W130 PolarHBondContact N-O 3.47Å; I118-W130 PolarHBondContact O-N 3.46Å; I118-V132 HydrophobicContact CD1-CG2 3.4Å; I118-V132 HydrophobicContact CG1-CG2 3.63Å |
| 119 | A | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I109 A110 L129 F153 L160 | I109-A119 CarbonylContact C-O 3.5Å; I109-A119 WeakPolarHBondContact CA-O 3.48Å; A110-A119 PolarHBondContact N-O 2.94Å; A110-A119 PolarHBondContact O-N 2.96Å; A119-L129 HydrophobicContact CB-CD1 4.21Å; A119-F153 HydrophobicContact CB-CD2 4.46Å; A119-F153 HydrophobicContact CB-CE1 4.38Å; A119-F153 HydrophobicContact CB-CE2 3.47Å; A119-F153 VanDerWaalsContact CB-CE2 3.47Å; A119-F153 HydrophobicContact CB-CZ 3.43Å; A119-F153 VanDerWaalsContact CB-CZ 3.43Å; A119-L160 HydrophobicContact CB-CD1 3.68Å; A119-L160 HydrophobicContact CB-CD2 3.92Å; A119-L160 HydrophobicContact CB-CG 4.48Å |
| 120 | S | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.2 | 178.1 | 60.6 | 0 | 0 | 0 | 0 | 110.1 | I83 H102 C108 V127 I128 W130 | I83-S120 WeakPolarHBondContact CD1-OG 3.24Å; H102-S120 PolarHBondContact CE1-O 3.46Å; H102-S120 PolarHBondContact NE2-O 3.42Å; H102-S120 PolarHBondContact NE2-OG 3.03Å; C108-S120 WeakPolarHBondContact O-CA 3.25Å; S120-V127 CarbonylContact O-C 3.44Å; S120-V127 VanDerWaalsContact O-CA 3.24Å; S120-V127 WeakPolarHBondContact O-CA 3.16Å; S120-I128 PolarHBondContact N-O 3.44Å; S120-I128 PolarHBondContact O-N 3.47Å; S120-I128 PolarHBondContact OG-O 3Å; S120-I128 VanDerWaalsContact OG-O 3.07Å; S120-W130 PolarHBondContact OG-NE1 2.96Å |
| 121 | G | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T107 C108 I126 | T107-G121 PolarHBondContact N-O 3.12Å; T107-G121 PolarHBondContact OG1-O 3.48Å; T107-G121 VanDerWaalsContact OG1-O 3.11Å; C108-G121 PolarHBondContact N-O 2.96Å; C108-G121 PolarHBondContact O-N 3.43Å; C108-G121 WeakPolarHBondContact SG-CA 3.43Å; C108-G121 PolarHBondContact SG-N 3.21Å; G121-I126 WeakPolarHBondContact CA-O 3.24Å |
| 122 | G | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 164.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | H102 D124 G125 I126 I148 | H102-G122 PolarHBondContact CE1-N 3.15Å; G122-D124 VanDerWaalsContact CA-OD1 3.28Å; G122-D124 WeakPolarHBondContact CA-OD1 3.5Å; G122-D124 PolarHBondContact O-N 2.75Å; G122-G125 PolarHBondContact O-N 3.35Å; G122-I126 PolarHBondContact N-O 2.9Å; G122-I148 PolarHBondContact O-N 2.87Å |
| 123 | K | 92.6 | Very high | 90.4 | Very high | 130 Ų | 130 | 31 Ų | 31 | 57% | 0.565 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.5 | 169.2 | -168.1 | 176.7 | 179.7 | -179 | 0 | 112.5 | S104 A105 T107 G125 P147 | S104-K123 WeakPolarHBondContact OG-CB 3.48Å; S104-K123 PolarHBondContact OG-N 3.31Å; A105-K123 PolarHBondContact O-N 3.26Å; T107-K123 HydrophobicContact CG2-CB 4.01Å; K123-G125 PolarHBondContact O-N 2.93Å; K123-P147 HydrophobicContact CG-CB 4.15Å; K123-P147 HydrophobicContact CG-CG 4.03Å |
| 124 | D | 89.4 | Confident | 90.2 | Very high | 45 Ų | 45 | 28.5 Ų | 28.5 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -1.3 | 173.5 | 59.9 | -10 | 0 | 0 | 0 | 113 | H102 K103 S104 G122 I126 R140 | H102-D124 IonicContact ND1-OD1 3.16Å; K103-D124 PolarHBondContact N-OD2 3.41Å; S104-D124 WeakPolarHBondContact OG-CB 3.43Å; S104-D124 PolarHBondContact OG-N 3.48Å; G122-D124 VanDerWaalsContact CA-OD1 3.28Å; G122-D124 WeakPolarHBondContact CA-OD1 3.5Å; G122-D124 PolarHBondContact O-N 2.75Å; D124-I126 VanDerWaalsContact C-N 3.34Å; D124-I126 PolarHBondContact OD1-N 3.06Å; D124-R140 IonicContact OD2-NH2 2.81Å; D124-R140 PolarHBondContact OD2-NH2 2.63Å |
| 125 | G | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 78.4 | 20.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G122 K123 H144 G146 | G122-G125 PolarHBondContact O-N 3.35Å; K123-G125 PolarHBondContact O-N 2.93Å; G125-H144 WeakPolarHBondContact O-CB 3Å; G125-G146 WeakPolarHBondContact CA-O 3.19Å |
| 126 | I | 91.5 | Very high | 90.1 | Very high | 21 Ų | 21 | 26 Ų | 26 | 11% | 0.108 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.2 | -175.7 | -71.8 | 164 | 0 | 0 | 0 | 109.9 | H102 G121 G122 D124 I128 R140 R142 I148 | H102-I126 PolarHBondContact CE1-O 3.41Å; H102-I126 VanDerWaalsContact CE1-O 3.24Å; G121-I126 WeakPolarHBondContact CA-O 3.24Å; G122-I126 PolarHBondContact N-O 2.9Å; D124-I126 VanDerWaalsContact C-N 3.34Å; D124-I126 PolarHBondContact OD1-N 3.06Å; I126-I128 HydrophobicContact CG2-CG1 4.02Å; I126-R140 HydrophobicContact CG2-CG 3.24Å; I126-R142 HydrophobicContact CD1-CG 4.4Å; I126-R142 HydrophobicContact CG1-CG 4.27Å; I126-I148 WeakPolarHBondContact O-CD1 3.46Å |
| 127 | V | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.2 | 173.8 | -175 | 0 | 0 | 0 | 0 | 108.6 | S120 R140 F141 I148 L160 T162 | S120-V127 CarbonylContact O-C 3.44Å; S120-V127 VanDerWaalsContact O-CA 3.24Å; S120-V127 WeakPolarHBondContact O-CA 3.16Å; V127-R140 CarbonylContact O-C 3.59Å; V127-R140 WeakPolarHBondContact O-CA 3.47Å; V127-F141 HydrophobicContact CB-CB 4.18Å; V127-F141 HydrophobicContact CB-CD2 4.3Å; V127-F141 HydrophobicContact CG1-CD2 4.31Å; V127-F141 PolarHBondContact N-O 2.92Å; V127-F141 VanDerWaalsContact N-O 3.16Å; V127-F141 PolarHBondContact O-N 3.42Å; V127-I148 HydrophobicContact CB-CD1 4.35Å; V127-I148 HydrophobicContact CG2-CD1 3.32Å; V127-I148 HydrophobicContact CG2-CG1 3.98Å; V127-I148 HydrophobicContact CG2-CG2 4.46Å; V127-L160 HydrophobicContact CG1-CD2 3.76Å; V127-T162 HydrophobicContact CG1-CG2 4.31Å; V127-T162 HydrophobicContact CG2-CG2 3.81Å |
| 128 | I | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.9 | 176.7 | -57.7 | 174 | 0 | 0 | 0 | 109 | S120 I126 W130 F139 R140 A721 | S120-I128 PolarHBondContact N-O 3.44Å; S120-I128 PolarHBondContact O-N 3.47Å; S120-I128 PolarHBondContact OG-O 3Å; S120-I128 VanDerWaalsContact OG-O 3.07Å; I126-I128 HydrophobicContact CG2-CG1 4.02Å; I128-W130 HydrophobicContact CB-CZ2 4.03Å; I128-W130 HydrophobicContact CD1-CH2 4.5Å; I128-W130 HydrophobicContact CD1-CZ2 3.86Å; I128-W130 HydrophobicContact CG2-CD2 3.85Å; I128-W130 HydrophobicContact CG2-CE3 4.43Å; I128-W130 HydrophobicContact CG2-CG 4.35Å; I128-W130 HydrophobicContact CG2-CH2 4.06Å; I128-W130 HydrophobicContact CG2-CZ2 3.46Å; I128-W130 VanDerWaalsContact CG2-CZ2 3.46Å; I128-F139 WeakPolarHBondContact CA-O 3.41Å; I128-R140 HydrophobicContact CG1-CB 4.33Å; I128-R140 HydrophobicContact CG1-CG 4.04Å; I128-A721 HydrophobicContact CD1-CB 4.43Å; I128-A721 HydrophobicContact CG2-CB 3.51Å |
| 129 | L | 93.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 128.5 | 168.7 | -141.8 | 97.4 | 0 | 0 | 0 | 109.3 | I118 A119 G137 L138 F139 F141 F153 L160 I174 | I118-L129 CarbonylContact O-C 3.59Å; I118-L129 WeakPolarHBondContact O-CA 3.33Å; A119-L129 HydrophobicContact CB-CD1 4.21Å; L129-G137 CarbonylContact O-C 3.57Å; L129-L138 HydrophobicContact CB-CB 4.45Å; L129-L138 HydrophobicContact CD2-CD1 3.81Å; L129-L138 PolarHBondContact O-N 3Å; L129-F139 PolarHBondContact N-O 3.38Å; L129-F141 HydrophobicContact CD1-CE2 4.4Å; L129-F153 HydrophobicContact CD1-CE1 3.86Å; L129-F153 HydrophobicContact CD1-CZ 3.75Å; L129-L160 HydrophobicContact CD1-CD2 4.09Å; L129-I174 HydrophobicContact CD2-CG2 3.87Å |
| 130 | W | 91.2 | Very high | 88.5 | Confident | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 145.7 | 177.8 | -53 | 94.2 | 0 | 0 | 0 | 109.5 | I83 F99 T117 I118 S120 I128 G137 A721 | I83-W130 HydrophobicContact CD1-CZ2 4.5Å; F99-W130 HydrophobicContact CB-CD2 3.9Å; F99-W130 HydrophobicContact CB-CE3 3.77Å; F99-W130 HydrophobicContact CB-CH2 3.95Å; F99-W130 HydrophobicContact CB-CZ2 4.03Å; F99-W130 HydrophobicContact CB-CZ3 3.82Å; F99-W130 HydrophobicContact CD1-CD2 4.04Å; F99-W130 AromaticContact CD1-CE3 3.41Å; F99-W130 HydrophobicContact CD1-CE3 3.41Å; F99-W130 VanDerWaalsContact CD1-CE3 3.41Å; F99-W130 AromaticContact CD1-CZ3 3.88Å; F99-W130 HydrophobicContact CD1-CZ3 3.88Å; F99-W130 HydrophobicContact CD2-CB 4.37Å; F99-W130 HydrophobicContact CD2-CD2 4.29Å; F99-W130 HydrophobicContact CD2-CE3 4.46Å; F99-W130 HydrophobicContact CD2-CG 4.25Å; F99-W130 HydrophobicContact CE1-CE3 4.07Å; F99-W130 HydrophobicContact CE2-CB 4.19Å; F99-W130 AromaticContact CG-CD2 3.83Å; F99-W130 HydrophobicContact CG-CD2 3.83Å; F99-W130 AromaticContact CG-CE3 3.64Å; F99-W130 HydrophobicContact CG-CE3 3.64Å; F99-W130 HydrophobicContact CG-CG 4.26Å; F99-W130 HydrophobicContact CG-CZ3 4.13Å; F99-W130 HydrophobicContact CZ-CB 4.28Å; T117-W130 CarbonylContact C-O 3.48Å; T117-W130 VanDerWaalsContact CA-O 3.25Å; T117-W130 WeakPolarHBondContact CA-O 3.19Å; I118-W130 HydrophobicContact CB-CB 4.26Å; I118-W130 PolarHBondContact N-O 3.47Å; I118-W130 PolarHBondContact O-N 3.46Å; S120-W130 PolarHBondContact OG-NE1 2.96Å; I128-W130 HydrophobicContact CB-CZ2 4.03Å; I128-W130 HydrophobicContact CD1-CH2 4.5Å; I128-W130 HydrophobicContact CD1-CZ2 3.86Å; I128-W130 HydrophobicContact CG2-CD2 3.85Å; I128-W130 HydrophobicContact CG2-CE3 4.43Å; I128-W130 HydrophobicContact CG2-CG 4.35Å; I128-W130 HydrophobicContact CG2-CH2 4.06Å; I128-W130 HydrophobicContact CG2-CZ2 3.46Å; I128-W130 VanDerWaalsContact CG2-CZ2 3.46Å; W130-G137 VanDerWaalsContact CE3-N 3.32Å; W130-A721 HydrophobicContact CH2-CB 3.99Å; W130-A721 HydrophobicContact CZ3-CB 4.12Å |
| 131 | D | 89.6 | Confident | 88.2 | Confident | 34 Ų | 34 | 27 Ų | 27 | 18% | 0.182 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.1 | 167.1 | 174.4 | 11.4 | 0 | 0 | 0 | 108.8 | V133 S134 E135 A136 L138 | D131-V133 VanDerWaalsContact C-N 3.33Å; D131-V133 PolarHBondContact OD1-N 3.5Å; D131-S134 VanDerWaalsContact CB-OG 3.3Å; D131-S134 WeakPolarHBondContact CB-OG 3.05Å; D131-S134 WeakPolarHBondContact OD2-CB 3.47Å; D131-S134 PolarHBondContact OD2-N 3.43Å; D131-S134 PolarHBondContact OD2-OG 2.99Å; D131-E135 VanDerWaalsContact O-CA 3.27Å; D131-E135 WeakPolarHBondContact O-CA 3.47Å; D131-E135 PolarHBondContact O-N 3.37Å; D131-A136 PolarHBondContact N-O 3.16Å; D131-A136 PolarHBondContact O-N 2.99Å; D131-L138 HydrophobicContact CB-CD1 3.89Å; D131-L138 HydrophobicContact CB-CD2 4.39Å; D131-L138 HydrophobicContact CB-CG 4.02Å |
| 132 | V | 87.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.024 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -24 | -175.9 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | L116 I118 | L116-V132 WeakPolarHBondContact O-CB 3.07Å; L116-V132 WeakPolarHBondContact O-CG2 3.33Å; L116-V132 PolarHBondContact O-N 2.91Å; I118-V132 HydrophobicContact CD1-CG2 3.4Å; I118-V132 HydrophobicContact CG1-CG2 3.63Å |
| 133 | V | 86 | Confident | 87.4 | Confident | 102 Ų | 102 | 33 Ų | 33 | 62% | 0.618 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -47.4 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 110.6 | L116 D131 E135 | L116-V133 HydrophobicContact CD2-CG2 3.68Å; D131-V133 VanDerWaalsContact C-N 3.33Å; D131-V133 PolarHBondContact OD1-N 3.5Å; V133-E135 PolarHBondContact O-N 3.46Å |
| 134 | S | 81.1 | Confident | 87.4 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.2 | 177.3 | 72.1 | 0 | 0 | 0 | 0 | 113.4 | D131 A136 R818 | D131-S134 VanDerWaalsContact CB-OG 3.3Å; D131-S134 WeakPolarHBondContact CB-OG 3.05Å; D131-S134 WeakPolarHBondContact OD2-CB 3.47Å; D131-S134 PolarHBondContact OD2-N 3.43Å; D131-S134 PolarHBondContact OD2-OG 2.99Å; S134-A136 PolarHBondContact O-N 3.08Å; S134-A136 VanDerWaalsContact O-N 3.16Å; S134-R818 PolarHBondContact O-NH1 3.46Å |
| 135 | E | 85 | Confident | 87.4 | Confident | 54 Ų | 54 | 35 Ų | 35 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.2 | 177 | -63.9 | 176.9 | 172.6 | 0 | 0 | 112.4 | V97 F99 D131 V133 S781 S782 | V97-E135 HydrophobicContact CG1-CB 4.06Å; V97-E135 HydrophobicContact CG1-CG 3.97Å; V97-E135 HydrophobicContact CG2-CG 3.75Å; V97-E135 VanDerWaalsContact CG2-OE1 3.29Å; V97-E135 WeakPolarHBondContact CG2-OE1 3.22Å; F99-E135 HydrophobicContact CE1-CB 4.44Å; D131-E135 VanDerWaalsContact O-CA 3.27Å; D131-E135 WeakPolarHBondContact O-CA 3.47Å; D131-E135 PolarHBondContact O-N 3.37Å; V133-E135 PolarHBondContact O-N 3.46Å; E135-S781 WeakPolarHBondContact CB-OG 3.4Å; E135-S781 PolarHBondContact OE2-OG 2.7Å; E135-S782 WeakPolarHBondContact O-CA 3.49Å; E135-S782 VanDerWaalsContact O-CB 3.27Å; E135-S782 WeakPolarHBondContact O-CB 3.37Å; E135-S782 PolarHBondContact O-N 2.84Å |
| 136 | A | 81.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D131 S134 L138 | D131-A136 PolarHBondContact N-O 3.16Å; D131-A136 PolarHBondContact O-N 2.99Å; S134-A136 PolarHBondContact O-N 3.08Å; S134-A136 VanDerWaalsContact O-N 3.16Å; A136-L138 PolarHBondContact O-N 3.21Å |
| 137 | G | 81.8 | Confident | 87.6 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 115.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L129 W130 | L129-G137 CarbonylContact O-C 3.57Å; W130-G137 VanDerWaalsContact CE3-N 3.32Å |
| 138 | L | 83.4 | Confident | 87.7 | Confident | 66 Ų | 66 | 36.3 Ų | 36.3 | 35% | 0.346 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -60.7 | -179.3 | -70.7 | 167.9 | 0 | 0 | 0 | 110.3 | T117 L129 D131 A136 | T117-L138 HydrophobicContact CG2-CD1 4.44Å; L129-L138 HydrophobicContact CB-CB 4.45Å; L129-L138 HydrophobicContact CD2-CD1 3.81Å; L129-L138 PolarHBondContact O-N 3Å; D131-L138 HydrophobicContact CB-CD1 3.89Å; D131-L138 HydrophobicContact CB-CD2 4.39Å; D131-L138 HydrophobicContact CB-CG 4.02Å; A136-L138 PolarHBondContact O-N 3.21Å |
| 139 | F | 82.6 | Confident | 87.8 | Confident | 48 Ų | 48 | 37.7 Ų | 37.7 | 21% | 0.211 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 143.6 | -172 | -52.3 | -60.6 | 0 | 0 | 0 | 111.6 | I128 L129 Q177 V718 | I128-F139 WeakPolarHBondContact CA-O 3.41Å; L129-F139 PolarHBondContact N-O 3.38Å; F139-Q177 VanDerWaalsContact CD1-CD 3.45Å; F139-Q177 HydrophobicContact CD1-CG 4.25Å; F139-Q177 HydrophobicContact CD2-CG 3.94Å; F139-Q177 HydrophobicContact CE1-CG 4.42Å; F139-Q177 VanDerWaalsContact CE1-OE1 3.3Å; F139-Q177 HydrophobicContact CE2-CG 4.09Å; F139-Q177 HydrophobicContact CG-CG 4.05Å; F139-Q177 HydrophobicContact CZ-CG 4.36Å; F139-V718 HydrophobicContact CB-CG1 3.69Å; F139-V718 HydrophobicContact CD1-CG1 3.87Å; F139-V718 HydrophobicContact CG-CG1 4.13Å |
| 140 | R | 85.7 | Confident | 87.8 | Confident | 14 Ų | 14 | 39.2 Ų | 39.2 | 5% | 0.053 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 105.2 | 173.5 | -176.9 | -177.1 | -172.9 | 144.7 | 19.2 | 110.5 | D124 I126 V127 I128 R142 V718 G719 | D124-R140 IonicContact OD2-NH2 2.81Å; D124-R140 PolarHBondContact OD2-NH2 2.63Å; I126-R140 HydrophobicContact CG2-CG 3.24Å; V127-R140 CarbonylContact O-C 3.59Å; V127-R140 WeakPolarHBondContact O-CA 3.47Å; I128-R140 HydrophobicContact CG1-CB 4.33Å; I128-R140 HydrophobicContact CG1-CG 4.04Å; R140-R142 PolarHBondContact O-N 2.83Å; R140-V718 VanDerWaalsContact O-CA 3.24Å; R140-V718 WeakPolarHBondContact O-CA 3.4Å; R140-G719 WeakPolarHBondContact CB-O 3.26Å; R140-G719 PolarHBondContact N-O 3.33Å; R140-G719 PolarHBondContact O-N 2.91Å |
| 141 | F | 88.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.1 | 172.3 | -62.2 | -61.3 | 0 | 0 | 0 | 111.5 | V127 L129 L160 W172 E717 V718 | V127-F141 HydrophobicContact CB-CB 4.18Å; V127-F141 HydrophobicContact CB-CD2 4.3Å; V127-F141 HydrophobicContact CG1-CD2 4.31Å; V127-F141 PolarHBondContact N-O 2.92Å; V127-F141 VanDerWaalsContact N-O 3.16Å; V127-F141 PolarHBondContact O-N 3.42Å; L129-F141 HydrophobicContact CD1-CE2 4.4Å; F141-L160 HydrophobicContact CD2-CD2 4.28Å; F141-L160 HydrophobicContact CE2-CD2 4.07Å; F141-W172 HydrophobicContact CB-CD2 4.19Å; F141-W172 HydrophobicContact CB-CE3 3.99Å; F141-W172 HydrophobicContact CB-CH2 3.85Å; F141-W172 HydrophobicContact CB-CZ2 4.05Å; F141-W172 HydrophobicContact CB-CZ3 3.81Å; F141-W172 AromaticContact CD1-CD2 3.94Å; F141-W172 HydrophobicContact CD1-CD2 3.94Å; F141-W172 AromaticContact CD1-CE3 3.26Å; F141-W172 HydrophobicContact CD1-CE3 3.26Å; F141-W172 HydrophobicContact CD1-CH2 4.45Å; F141-W172 AromaticContact CD1-CZ3 3.56Å; F141-W172 HydrophobicContact CD1-CZ3 3.56Å; F141-W172 HydrophobicContact CD2-CD2 4.32Å; F141-W172 HydrophobicContact CD2-CE3 4.44Å; F141-W172 HydrophobicContact CD2-CG 4.42Å; F141-W172 HydrophobicContact CE1-CB 4.43Å; F141-W172 HydrophobicContact CE1-CD2 4.38Å; F141-W172 AromaticContact CE1-CE3 3.76Å; F141-W172 HydrophobicContact CE1-CE3 3.76Å; F141-W172 HydrophobicContact CE1-CZ3 4.41Å; F141-W172 HydrophobicContact CE2-CB 4.3Å; F141-W172 AromaticContact CG-CD2 3.9Å; F141-W172 HydrophobicContact CG-CD2 3.9Å; F141-W172 AromaticContact CG-CE3 3.66Å; F141-W172 HydrophobicContact CG-CE3 3.66Å; F141-W172 HydrophobicContact CG-CG 4.45Å; F141-W172 HydrophobicContact CG-CH2 4.43Å; F141-W172 AromaticContact CG-CZ3 3.94Å; F141-W172 HydrophobicContact CG-CZ3 3.94Å; F141-W172 HydrophobicContact CZ-CB 4.18Å; F141-E717 CarbonylContact C-O 3.47Å; F141-E717 WeakPolarHBondContact CA-O 3.37Å; F141-V718 HydrophobicContact CD1-CG2 3.75Å; F141-V718 HydrophobicContact CE1-CG2 3.99Å |
| 142 | R | 85.6 | Confident | 88.1 | Confident | 101 Ų | 101 | 39.4 Ų | 39.4 | 38% | 0.381 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 110.5 | 168.5 | -72.1 | -178.4 | 173.4 | 161.3 | -1.6 | 108.3 | I126 R140 E717 | I126-R142 HydrophobicContact CD1-CG 4.4Å; I126-R142 HydrophobicContact CG1-CG 4.27Å; R140-R142 PolarHBondContact O-N 2.83Å; R142-E717 PolarHBondContact N-O 3.21Å |
| 143 | G | 84.4 | Confident | 88.3 | Confident | 25 Ų | 25 | 40 Ų | 40 | 26% | 0.258 | 21% | 0.21 | S | C | . | . | trans | -167.4 | -22.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | K170 | G143-K170 VanDerWaalsContact C-NZ 3.32Å; G143-K170 PolarHBondContact O-NZ 2.93Å | ||
| 144 | H | 91.1 | Very high | 88.4 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 9% | 0.088 | 18% | 0.182 | C | C | . | . | trans | -79.4 | 148.4 | 168.4 | -65.5 | -69.9 | 0 | 0 | 0 | 109.8 | G125 T162 S164 K170 | G125-H144 WeakPolarHBondContact O-CB 3Å; H144-T162 PolarHBondContact NE2-OG1 3.5Å; H144-S164 VanDerWaalsContact ND1-CB 3.25Å; H144-S164 WeakPolarHBondContact ND1-CB 3.19Å; H144-K170 VanDerWaalsContact CE1-CG 3.45Å; H144-K170 WeakPolarHBondContact CE1-CG 3.33Å | ||
| 145 | K | 90.6 | Very high | 88.3 | Confident | 199 Ų | 199 | 35.3 Ų | 35.3 | 87% | 0.865 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -96.5 | -9.6 | 179.3 | -66.4 | -175.6 | 178.3 | 179.4 | 0 | 112.8 | D166 | K145-D166 VanDerWaalsContact C-OD2 3.3Å; K145-D166 VanDerWaalsContact CA-OD2 3.29Å; K145-D166 WeakPolarHBondContact CA-OD2 3.41Å; K145-D166 PolarHBondContact N-OD2 2.66Å |
| 146 | G | 91.4 | Very high | 88 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -151.7 | -178.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G125 I148 S164 D166 | G125-G146 WeakPolarHBondContact CA-O 3.19Å; G146-I148 PolarHBondContact O-N 3Å; G146-S164 PolarHBondContact O-OG 3.38Å; G146-S164 VanDerWaalsContact O-OG 3.12Å; G146-D166 WeakPolarHBondContact CA-OD1 3.02Å; G146-D166 WeakPolarHBondContact CA-OD2 2.83Å; G146-D166 PolarHBondContact N-OD1 3.01Å; G146-D166 PolarHBondContact N-OD2 2.83Å |
| 147 | P | 94.5 | Very high | 87.6 | Confident | 37 Ų | 37 | 42.5 Ų | 42.5 | 24% | 0.24 | 22% | 0.217 | C | C | . | . | trans | -59.7 | 132.9 | -167 | -25.9 | 33.2 | 0 | 0 | 0 | 112.8 | K123 S164 K165 | K123-P147 HydrophobicContact CG-CB 4.15Å; K123-P147 HydrophobicContact CG-CG 4.03Å; P147-S164 WeakPolarHBondContact O-CA 3.48Å; P147-S164 PolarHBondContact O-OG 3.2Å; P147-K165 HydrophobicContact CG-CD 4.4Å; P147-K165 PolarHBondContact O-N 2.99Å | ||
| 148 | I | 95.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.9 | 173.7 | -65.7 | 143.1 | 0 | 0 | 0 | 108.7 | T107 G122 I126 V127 G146 C151 S163 | T107-I148 WeakPolarHBondContact CB-O 3.32Å; T107-I148 PolarHBondContact OG1-O 3.34Å; G122-I148 PolarHBondContact O-N 2.87Å; I126-I148 WeakPolarHBondContact O-CD1 3.46Å; V127-I148 HydrophobicContact CB-CD1 4.35Å; V127-I148 HydrophobicContact CG2-CD1 3.32Å; V127-I148 HydrophobicContact CG2-CG1 3.98Å; V127-I148 HydrophobicContact CG2-CG2 4.46Å; G146-I148 PolarHBondContact O-N 3Å; I148-C151 WeakPolarHBondContact CG2-SG 3.47Å; I148-S163 CarbonylContact C-O 3.44Å; I148-S163 WeakPolarHBondContact CA-O 3.48Å; I148-S163 WeakPolarHBondContact CG2-O 3.42Å |
| 149 | T | 93.9 | Very high | 88 | Confident | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -36.7 | -174.4 | 54 | 0 | 0 | 0 | 0 | 112.5 | S163 V190 W191 | T149-S163 PolarHBondContact N-O 3.15Å; T149-S163 PolarHBondContact OG1-O 3.3Å; T149-S163 PolarHBondContact OG1-OG 2.89Å; T149-V190 VanDerWaalsContact CG2-O 3.3Å; T149-V190 WeakPolarHBondContact CG2-O 3.41Å; T149-V190 PolarHBondContact OG1-O 3Å; T149-W191 VanDerWaalsContact CB-O 3.29Å; T149-W191 WeakPolarHBondContact CB-O 3.31Å; T149-W191 HydrophobicContact CG2-CE3 4.49Å |
| 150 | K | 93.7 | Very high | 88.5 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 15% | 0.148 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 152.9 | 177.5 | -165.7 | 157.6 | -178.5 | 166.5 | 0 | 111.4 | V152 T162 S163 S192 F193 N269 L270 | K150-V152 HydrophobicContact CG-CG2 4.42Å; K150-T162 WeakPolarHBondContact O-CA 3.32Å; K150-S163 PolarHBondContact N-OG 3.41Å; K150-S163 VanDerWaalsContact N-OG 3.15Å; K150-S163 PolarHBondContact O-N 3.3Å; K150-S163 PolarHBondContact O-OG 2.95Å; K150-S192 VanDerWaalsContact CD-OG 3.31Å; K150-S192 WeakPolarHBondContact CD-OG 2.99Å; K150-F193 HydrophobicContact CB-CD1 3.99Å; K150-F193 HydrophobicContact CB-CE1 3.74Å; K150-F193 WeakPolarHBondContact CD-O 3.36Å; K150-F193 WeakPolarHBondContact CE-O 3.46Å; K150-F193 HydrophobicContact CG-CD1 4.4Å; K150-F193 HydrophobicContact CG-CE1 4.08Å; K150-F193 HydrophobicContact CG-CZ 4.48Å; K150-F193 WeakPolarHBondContact O-CE1 3.22Å; K150-N269 PolarHBondContact NZ-OD1 2.94Å; K150-L270 PolarHBondContact NZ-O 2.77Å |
| 151 | C | 93.9 | Very high | 88.9 | Confident | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.054 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 130.2 | -172.7 | -54.1 | 0 | 0 | 0 | 0 | 108.1 | C108 A110 I148 V161 | C108-C151 HydrophobicContact CB-CB 3.95Å; C108-C151 WeakPolarHBondContact CB-SG 3.22Å; C108-C151 WeakPolarHBondContact SG-CB 3.28Å; C108-C151 CovalentContact SG-SG 2.06Å; C108-C151 PolarHBondContact SG-SG 3.46Å; A110-C151 HydrophobicContact CB-CB 4.41Å; A110-C151 WeakPolarHBondContact CB-O 3.49Å; I148-C151 WeakPolarHBondContact CG2-SG 3.47Å; C151-V161 WeakPolarHBondContact CA-O 3.34Å |
| 152 | V | 92.9 | Very high | 89.2 | Confident | 33 Ų | 33 | 41 Ų | 41 | 20% | 0.2 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 131.1 | -178.2 | 179.6 | 0 | 0 | 0 | 0 | 110 | K150 V161 F193 F195 | K150-V152 HydrophobicContact CG-CG2 4.42Å; V152-V161 PolarHBondContact N-O 3.33Å; V152-V161 PolarHBondContact O-N 3.13Å; V152-F193 HydrophobicContact CB-CE2 3.89Å; V152-F193 HydrophobicContact CB-CZ 3.99Å; V152-F193 HydrophobicContact CG2-CE2 3.7Å; V152-F193 HydrophobicContact CG2-CZ 3.76Å; V152-F195 HydrophobicContact CB-CD2 4.43Å; V152-F195 HydrophobicContact CB-CE2 4.31Å; V152-F195 HydrophobicContact CG1-CD2 3.98Å; V152-F195 HydrophobicContact CG1-CE2 4.21Å |
| 153 | F | 91.8 | Very high | 89.6 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.9 | 168.3 | -72.9 | -78.5 | 0 | 0 | 0 | 110.8 | A110 F111 D112 A119 L129 L160 I174 | A110-F153 HydrophobicContact CB-CD2 4.1Å; A110-F153 HydrophobicContact CB-CE2 4.31Å; A110-F153 WeakPolarHBondContact O-CE2 3.14Å; F111-F153 WeakPolarHBondContact O-CD2 3.5Å; D112-F153 HydrophobicContact CB-CD2 4.34Å; D112-F153 HydrophobicContact CB-CE2 4.39Å; A119-F153 HydrophobicContact CB-CD2 4.46Å; A119-F153 HydrophobicContact CB-CE1 4.38Å; A119-F153 HydrophobicContact CB-CE2 3.47Å; A119-F153 VanDerWaalsContact CB-CE2 3.47Å; A119-F153 HydrophobicContact CB-CZ 3.43Å; A119-F153 VanDerWaalsContact CB-CZ 3.43Å; L129-F153 HydrophobicContact CD1-CE1 3.86Å; L129-F153 HydrophobicContact CD1-CZ 3.75Å; F153-L160 HydrophobicContact CD1-CB 4.38Å; F153-L160 HydrophobicContact CD1-CD1 3.88Å; F153-L160 HydrophobicContact CD2-CD1 4.29Å; F153-L160 HydrophobicContact CE1-CB 4.35Å; F153-L160 HydrophobicContact CE1-CD1 3.86Å; F153-L160 HydrophobicContact CE2-CD1 4.29Å; F153-L160 HydrophobicContact CG-CD1 4.12Å; F153-L160 HydrophobicContact CZ-CD1 4.09Å; F153-I174 HydrophobicContact CD1-CD1 3.94Å; F153-I174 HydrophobicContact CE1-CD1 3.66Å |
| 154 | I | 87.8 | Confident | 90.1 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.6 | 171.3 | -62.4 | -178 | 0 | 0 | 0 | 108.2 | K157 I159 V161 F195 Y199 W218 | I154-K157 HydrophobicContact CG2-CB 4.08Å; I154-K157 HydrophobicContact CG2-CD 4.32Å; I154-K157 HydrophobicContact CG2-CG 4.42Å; I154-I159 HydrophobicContact CB-CB 4.49Å; I154-I159 HydrophobicContact CD1-CB 4.38Å; I154-I159 HydrophobicContact CD1-CG2 3.97Å; I154-I159 PolarHBondContact N-O 3.34Å; I154-V161 HydrophobicContact CD1-CG2 3.63Å; I154-V161 HydrophobicContact CG1-CG2 4.03Å; I154-F195 HydrophobicContact CD1-CZ 4.25Å; I154-F195 HydrophobicContact CG1-CE2 4.42Å; I154-F195 HydrophobicContact CG1-CZ 4.43Å; I154-Y199 HydrophobicContact CB-CD1 4.49Å; I154-Y199 HydrophobicContact CG1-CD1 4.2Å; I154-Y199 HydrophobicContact CG2-CD1 4.11Å; I154-Y199 HydrophobicContact CG2-CG 4.23Å; I154-W218 HydrophobicContact CD1-CH2 3.24Å; I154-W218 HydrophobicContact CD1-CZ2 3.42Å; I154-W218 VanDerWaalsContact CD1-CZ2 3.42Å; I154-W218 HydrophobicContact CD1-CZ3 4.39Å |
| 155 | P | 80 | Confident | 90.2 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 141.8 | -176.2 | 27.5 | -34.1 | 0 | 0 | 0 | 112.2 | E113 K157 Y199 | E113-P155 VanDerWaalsContact CD-CA 3.42Å; E113-P155 HydrophobicContact CG-CB 3.76Å; E113-P155 WeakPolarHBondContact OE1-CA 3.36Å; E113-P155 WeakPolarHBondContact OE1-CB 3.37Å; E113-P155 VanDerWaalsContact OE2-CB 3.24Å; E113-P155 WeakPolarHBondContact OE2-CB 3.41Å; P155-K157 PolarHBondContact O-N 2.92Å; P155-K157 VanDerWaalsContact O-N 3.13Å; P155-Y199 VanDerWaalsContact CD-OH 3.26Å; P155-Y199 WeakPolarHBondContact CD-OH 3.38Å; P155-Y199 HydrophobicContact CG-CD2 3.63Å; P155-Y199 HydrophobicContact CG-CE1 4.23Å; P155-Y199 HydrophobicContact CG-CE2 3.05Å; P155-Y199 HydrophobicContact CG-CG 4.45Å |
| 156 | N | 77.8 | Confident | 90.2 | Very high | 144 Ų | 144 | 31.1 Ų | 31.1 | 77% | 0.77 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 12.2 | 179.6 | -57.3 | -85.4 | 0 | 0 | 0 | 114.8 | E113 | E113-N156 PolarHBondContact OE1-N 3Š|
| 157 | K | 73.3 | Confident | 90.2 | Very high | 65 Ų | 65 | 31.3 Ų | 31.3 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.7 | 123.3 | 174 | -62.1 | -171.4 | 176.1 | -165.1 | 0 | 105.5 | I154 P155 I159 W218 | I154-K157 HydrophobicContact CG2-CB 4.08Å; I154-K157 HydrophobicContact CG2-CD 4.32Å; I154-K157 HydrophobicContact CG2-CG 4.42Å; P155-K157 PolarHBondContact O-N 2.92Å; P155-K157 VanDerWaalsContact O-N 3.13Å; K157-I159 HydrophobicContact CB-CB 4.44Å; K157-I159 HydrophobicContact CB-CD1 4.03Å; K157-I159 HydrophobicContact CB-CG1 4.12Å; K157-I159 HydrophobicContact CD-CD1 4.48Å; K157-I159 PolarHBondContact O-N 2.99Å; K157-W218 HydrophobicContact CD-CD2 4.18Å; K157-W218 HydrophobicContact CD-CE3 3.97Å; K157-W218 HydrophobicContact CD-CZ3 4.32Å; K157-W218 VanDerWaalsContact NZ-CD2 3.27Å |
| 158 | D | 84.4 | Confident | 90.1 | Very high | 84 Ų | 84 | 31 Ų | 31 | 45% | 0.449 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 56.4 | -178.5 | -62 | -18.9 | 0 | 0 | 0 | 111.4 | I174 Q175 | D158-I174 HydrophobicContact CB-CB 4.27Å; D158-I174 HydrophobicContact CB-CD1 4.42Å; D158-I174 WeakPolarHBondContact O-CB 3.42Å; D158-I174 WeakPolarHBondContact O-CG1 3.29Å; D158-I174 PolarHBondContact O-N 2.91Å; D158-Q175 HydrophobicContact CB-CG 4.04Å; D158-Q175 PolarHBondContact OD2-NE2 3.24Å |
| 159 | I | 90 | Very high | 90 | Very high | 22 Ų | 22 | 31 Ų | 31 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.8 | -169.8 | -59.8 | 178.2 | 0 | 0 | 0 | 108.4 | I154 K157 V161 F171 W172 F180 W218 | I154-I159 HydrophobicContact CB-CB 4.49Å; I154-I159 HydrophobicContact CD1-CB 4.38Å; I154-I159 HydrophobicContact CD1-CG2 3.97Å; I154-I159 PolarHBondContact N-O 3.34Å; K157-I159 HydrophobicContact CB-CB 4.44Å; K157-I159 HydrophobicContact CB-CD1 4.03Å; K157-I159 HydrophobicContact CB-CG1 4.12Å; K157-I159 HydrophobicContact CD-CD1 4.48Å; K157-I159 PolarHBondContact O-N 2.99Å; I159-V161 HydrophobicContact CG2-CG2 4.36Å; I159-F171 HydrophobicContact CG2-CD1 4.36Å; I159-W172 CarbonylContact C-O 3.58Å; I159-W172 VanDerWaalsContact CA-O 3.24Å; I159-W172 WeakPolarHBondContact CA-O 3.49Å; I159-W172 WeakPolarHBondContact CG2-O 3.24Å; I159-F180 HydrophobicContact CD1-CE1 4.39Å; I159-F180 HydrophobicContact CD1-CZ 4.28Å; I159-F180 HydrophobicContact CG1-CE1 4.47Å; I159-F180 HydrophobicContact CG2-CE1 4.05Å; I159-F180 HydrophobicContact CG2-CZ 4.25Å; I159-W218 HydrophobicContact CD1-CE3 4.3Å; I159-W218 HydrophobicContact CD1-CH2 4.16Å; I159-W218 HydrophobicContact CD1-CZ3 3.47Å; I159-W218 VanDerWaalsContact CD1-CZ3 3.47Å |
| 160 | L | 93 | Very high | 90 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132 | 175.8 | 177.6 | 69.9 | 0 | 0 | 0 | 109.6 | A119 V127 L129 F141 F153 T162 W172 I174 | A119-L160 HydrophobicContact CB-CD1 3.68Å; A119-L160 HydrophobicContact CB-CD2 3.92Å; A119-L160 HydrophobicContact CB-CG 4.48Å; V127-L160 HydrophobicContact CG1-CD2 3.76Å; L129-L160 HydrophobicContact CD1-CD2 4.09Å; F141-L160 HydrophobicContact CD2-CD2 4.28Å; F141-L160 HydrophobicContact CE2-CD2 4.07Å; F153-L160 HydrophobicContact CD1-CB 4.38Å; F153-L160 HydrophobicContact CD1-CD1 3.88Å; F153-L160 HydrophobicContact CD2-CD1 4.29Å; F153-L160 HydrophobicContact CE1-CB 4.35Å; F153-L160 HydrophobicContact CE1-CD1 3.86Å; F153-L160 HydrophobicContact CE2-CD1 4.29Å; F153-L160 HydrophobicContact CG-CD1 4.12Å; F153-L160 HydrophobicContact CZ-CD1 4.09Å; L160-T162 HydrophobicContact CD2-CG2 4.11Å; L160-T162 HydrophobicContact CG-CG2 3.97Å; L160-W172 HydrophobicContact CB-CB 4.24Å; L160-W172 PolarHBondContact N-O 3.46Å; L160-W172 PolarHBondContact O-N 3.49Å; L160-I174 HydrophobicContact CB-CG1 4.39Å |
| 161 | V | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.7 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | C151 V152 I154 I159 V169 K170 F171 F193 F195 | C151-V161 WeakPolarHBondContact CA-O 3.34Å; V152-V161 PolarHBondContact N-O 3.33Å; V152-V161 PolarHBondContact O-N 3.13Å; I154-V161 HydrophobicContact CD1-CG2 3.63Å; I154-V161 HydrophobicContact CG1-CG2 4.03Å; I159-V161 HydrophobicContact CG2-CG2 4.36Å; V161-V169 HydrophobicContact CG1-CG1 3.62Å; V161-K170 WeakPolarHBondContact CA-O 3.36Å; V161-F171 HydrophobicContact CB-CD1 4.42Å; V161-F171 HydrophobicContact CB-CE1 4.49Å; V161-F171 HydrophobicContact CG1-CD1 4.34Å; V161-F171 HydrophobicContact CG1-CE1 4.15Å; V161-F171 HydrophobicContact CG1-CE2 4.37Å; V161-F171 HydrophobicContact CG1-CZ 4.18Å; V161-F171 HydrophobicContact CG2-CD1 3.3Å; V161-F171 HydrophobicContact CG2-CE1 3.49Å; V161-F171 VanDerWaalsContact CG2-CE1 3.49Å; V161-F171 HydrophobicContact CG2-CG 4.01Å; V161-F171 HydrophobicContact CG2-CZ 4.34Å; V161-F193 HydrophobicContact CB-CE2 4.25Å; V161-F193 HydrophobicContact CB-CZ 4.21Å; V161-F193 HydrophobicContact CG1-CE2 3.93Å; V161-F193 HydrophobicContact CG1-CZ 3.95Å; V161-F193 WeakPolarHBondContact O-CZ 2.95Å; V161-F195 HydrophobicContact CB-CE2 4.05Å; V161-F195 HydrophobicContact CB-CZ 4Å; V161-F195 HydrophobicContact CG1-CE2 4.32Å; V161-F195 HydrophobicContact CG1-CZ 4Å; V161-F195 HydrophobicContact CG2-CE2 4.21Å; V161-F195 HydrophobicContact CG2-CZ 3.84Å |
| 162 | T | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.6 | -170.2 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | V127 H144 K150 L160 V169 K170 W172 | V127-T162 HydrophobicContact CG1-CG2 4.31Å; V127-T162 HydrophobicContact CG2-CG2 3.81Å; H144-T162 PolarHBondContact NE2-OG1 3.5Å; K150-T162 WeakPolarHBondContact O-CA 3.32Å; L160-T162 HydrophobicContact CD2-CG2 4.11Å; L160-T162 HydrophobicContact CG-CG2 3.97Å; T162-V169 CarbonylContact O-C 3.51Å; T162-V169 WeakPolarHBondContact O-CA 3.46Å; T162-K170 PolarHBondContact N-O 3.26Å; T162-K170 PolarHBondContact O-N 3.31Å; T162-K170 PolarHBondContact OG1-O 3.47Å; T162-K170 VanDerWaalsContact OG1-O 3.14Å; T162-W172 PolarHBondContact OG1-NE1 3.47Å |
| 163 | S | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147.2 | 172.6 | 58.7 | 0 | 0 | 0 | 0 | 111 | I148 T149 K150 F193 | I148-S163 CarbonylContact C-O 3.44Å; I148-S163 WeakPolarHBondContact CA-O 3.48Å; I148-S163 WeakPolarHBondContact CG2-O 3.42Å; T149-S163 PolarHBondContact N-O 3.15Å; T149-S163 PolarHBondContact OG1-O 3.3Å; T149-S163 PolarHBondContact OG1-OG 2.89Å; K150-S163 PolarHBondContact N-OG 3.41Å; K150-S163 VanDerWaalsContact N-OG 3.15Å; K150-S163 PolarHBondContact O-N 3.3Å; K150-S163 PolarHBondContact O-OG 2.95Å; S163-F193 VanDerWaalsContact CB-CD1 3.46Å; S163-F193 VanDerWaalsContact OG-CD1 3.28Å; S163-F193 WeakPolarHBondContact OG-CD1 3.43Å; S163-F193 WeakPolarHBondContact OG-CE1 3.46Å |
| 164 | S | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 156.8 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | H144 G146 P147 D166 A167 T168 | H144-S164 VanDerWaalsContact ND1-CB 3.25Å; H144-S164 WeakPolarHBondContact ND1-CB 3.19Å; G146-S164 PolarHBondContact O-OG 3.38Å; G146-S164 VanDerWaalsContact O-OG 3.12Å; P147-S164 WeakPolarHBondContact O-CA 3.48Å; P147-S164 PolarHBondContact O-OG 3.2Å; S164-D166 PolarHBondContact O-N 3.39Å; S164-D166 VanDerWaalsContact O-N 3.13Å; S164-D166 PolarHBondContact OG-N 3.07Å; S164-D166 VanDerWaalsContact OG-N 3.09Å; S164-D166 PolarHBondContact OG-OD2 3.17Å; S164-A167 PolarHBondContact O-N 2.96Å; S164-T168 PolarHBondContact N-O 3.08Å; S164-T168 VanDerWaalsContact N-O 3.15Å |
| 165 | K | 92.6 | Very high | 89.3 | Confident | 80 Ų | 80 | 36 Ų | 36 | 35% | 0.348 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.7 | 166.6 | -162.4 | 178 | 174.7 | -172.4 | 0 | 112.8 | P147 A167 E189 | P147-K165 HydrophobicContact CG-CD 4.4Å; P147-K165 PolarHBondContact O-N 2.99Å; K165-A167 PolarHBondContact O-N 3.28Å; K165-E189 WeakPolarHBondContact CE-OE1 3.49Å; K165-E189 WeakPolarHBondContact CE-OE2 3.36Å; K165-E189 HydrophobicContact CG-CB 3.93Å; K165-E189 HydrophobicContact CG-CG 3.84Å; K165-E189 IonicContact NZ-OE1 3.35Å; K165-E189 WeakPolarHBondContact O-CA 3.34Å; K165-E189 WeakPolarHBondContact O-CB 3.26Å; K165-E189 WeakPolarHBondContact O-CG 3.46Å |
| 166 | D | 91.9 | Very high | 89.5 | Confident | 57 Ų | 57 | 38.4 Ų | 38.4 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 14.2 | 177.6 | -47.1 | -44.2 | 0 | 0 | 0 | 115.2 | K145 G146 S164 T168 | K145-D166 VanDerWaalsContact C-OD2 3.3Å; K145-D166 VanDerWaalsContact CA-OD2 3.29Å; K145-D166 WeakPolarHBondContact CA-OD2 3.41Å; K145-D166 PolarHBondContact N-OD2 2.66Å; G146-D166 WeakPolarHBondContact CA-OD1 3.02Å; G146-D166 WeakPolarHBondContact CA-OD2 2.83Å; G146-D166 PolarHBondContact N-OD1 3.01Å; G146-D166 PolarHBondContact N-OD2 2.83Å; S164-D166 PolarHBondContact O-N 3.39Å; S164-D166 VanDerWaalsContact O-N 3.13Å; S164-D166 PolarHBondContact OG-N 3.07Å; S164-D166 VanDerWaalsContact OG-N 3.09Å; S164-D166 PolarHBondContact OG-OD2 3.17Å; D166-T168 PolarHBondContact O-N 3.36Å |
| 167 | A | 91.4 | Very high | 89.9 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 12% | 0.124 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 68 | 13.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S164 K165 T185 S186 S188 | S164-A167 PolarHBondContact O-N 2.96Å; K165-A167 PolarHBondContact O-N 3.28Å; A167-T185 PolarHBondContact O-N 3.48Å; A167-T185 PolarHBondContact O-OG1 3.49Å; A167-S186 WeakPolarHBondContact CB-O 3.49Å; A167-S188 WeakPolarHBondContact CA-O 3.46Å; A167-S188 WeakPolarHBondContact CB-O 3.09Å |
| 168 | T | 92.9 | Very high | 90.6 | Very high | 30 Ų | 30 | 35 Ų | 35 | 18% | 0.184 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141.8 | -178.8 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | S164 D166 T182 L183 | S164-T168 PolarHBondContact N-O 3.08Å; S164-T168 VanDerWaalsContact N-O 3.15Å; D166-T168 PolarHBondContact O-N 3.36Å; T168-T182 HydrophobicContact CG2-CG2 4.05Å; T168-L183 WeakPolarHBondContact CA-O 3.48Å |
| 169 | V | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.1 | 165.7 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | V161 T162 F171 L183 T185 V190 L202 V204 | V161-V169 HydrophobicContact CG1-CG1 3.62Å; T162-V169 CarbonylContact O-C 3.51Å; T162-V169 WeakPolarHBondContact O-CA 3.46Å; V169-F171 HydrophobicContact CG1-CE2 4.2Å; V169-L183 HydrophobicContact CB-CB 4.22Å; V169-L183 HydrophobicContact CB-CD2 4.45Å; V169-L183 PolarHBondContact N-O 3.45Å; V169-L183 PolarHBondContact O-N 3.27Å; V169-T185 HydrophobicContact CG2-CG2 4.41Å; V169-V190 HydrophobicContact CG2-CG1 4.3Å; V169-L202 HydrophobicContact CG1-CD2 4.39Å; V169-V204 HydrophobicContact CG2-CG1 4.41Å; V169-V204 HydrophobicContact CG2-CG2 4.25Å |
| 170 | K | 92.6 | Very high | 90.6 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 11% | 0.113 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.1 | -177.8 | -72.5 | -170 | 167.7 | -161.2 | 0 | 111.6 | G143 H144 V161 T162 W172 T182 | G143-K170 VanDerWaalsContact C-NZ 3.32Å; G143-K170 PolarHBondContact O-NZ 2.93Å; H144-K170 VanDerWaalsContact CE1-CG 3.45Å; H144-K170 WeakPolarHBondContact CE1-CG 3.33Å; V161-K170 WeakPolarHBondContact CA-O 3.36Å; T162-K170 PolarHBondContact N-O 3.26Å; T162-K170 PolarHBondContact O-N 3.31Å; T162-K170 PolarHBondContact OG1-O 3.47Å; T162-K170 VanDerWaalsContact OG1-O 3.14Å; K170-W172 HydrophobicContact CB-CZ2 4.22Å; K170-W172 HydrophobicContact CD-CH2 4.43Å; K170-W172 HydrophobicContact CD-CZ2 3.77Å; K170-T182 WeakPolarHBondContact CE-OG1 3.42Å; K170-T182 HydrophobicContact CG-CG2 3.99Å |
| 171 | F | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.8 | 172.3 | -64.1 | -109.8 | 0 | 0 | 0 | 108.5 | I159 V161 V169 C179 F180 Y181 L202 L216 W218 | I159-F171 HydrophobicContact CG2-CD1 4.36Å; V161-F171 HydrophobicContact CB-CD1 4.42Å; V161-F171 HydrophobicContact CB-CE1 4.49Å; V161-F171 HydrophobicContact CG1-CD1 4.34Å; V161-F171 HydrophobicContact CG1-CE1 4.15Å; V161-F171 HydrophobicContact CG1-CE2 4.37Å; V161-F171 HydrophobicContact CG1-CZ 4.18Å; V161-F171 HydrophobicContact CG2-CD1 3.3Å; V161-F171 HydrophobicContact CG2-CE1 3.49Å; V161-F171 VanDerWaalsContact CG2-CE1 3.49Å; V161-F171 HydrophobicContact CG2-CG 4.01Å; V161-F171 HydrophobicContact CG2-CZ 4.34Å; V169-F171 HydrophobicContact CG1-CE2 4.2Å; F171-C179 WeakPolarHBondContact O-CA 3.33Å; F171-C179 PolarHBondContact O-SG 3.16Å; F171-C179 VanDerWaalsContact O-SG 3.41Å; F171-F180 HydrophobicContact CB-CD1 4.49Å; F171-F180 HydrophobicContact CB-CE1 3.79Å; F171-F180 HydrophobicContact CB-CE2 4.15Å; F171-F180 HydrophobicContact CB-CZ 3.59Å; F171-F180 HydrophobicContact CD1-CZ 4.5Å; F171-F180 HydrophobicContact CG-CZ 4.39Å; F171-F180 PolarHBondContact O-N 2.84Å; F171-Y181 AromaticContact CD2-CD1 3.53Å; F171-Y181 HydrophobicContact CD2-CD1 3.53Å; F171-Y181 HydrophobicContact CD2-CE1 4.31Å; F171-Y181 HydrophobicContact CD2-CG 4.49Å; F171-Y181 AromaticContact CE2-CD1 3.79Å; F171-Y181 HydrophobicContact CE2-CD1 3.79Å; F171-Y181 HydrophobicContact CE2-CE1 4.12Å; F171-Y181 HydrophobicContact CG-CD1 4.27Å; F171-Y181 PolarHBondContact N-O 3.35Å; F171-L202 HydrophobicContact CZ-CD2 4.25Å; F171-L216 HydrophobicContact CZ-CD2 4.39Å; F171-W218 HydrophobicContact CD1-CH2 4.35Å; F171-W218 HydrophobicContact CE1-CH2 4.29Å |
| 172 | W | 91.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.6 | -177.1 | -57.4 | 91.7 | 0 | 0 | 0 | 108.6 | F141 I159 L160 T162 K170 C179 | F141-W172 HydrophobicContact CB-CD2 4.19Å; F141-W172 HydrophobicContact CB-CE3 3.99Å; F141-W172 HydrophobicContact CB-CH2 3.85Å; F141-W172 HydrophobicContact CB-CZ2 4.05Å; F141-W172 HydrophobicContact CB-CZ3 3.81Å; F141-W172 AromaticContact CD1-CD2 3.94Å; F141-W172 HydrophobicContact CD1-CD2 3.94Å; F141-W172 AromaticContact CD1-CE3 3.26Å; F141-W172 HydrophobicContact CD1-CE3 3.26Å; F141-W172 HydrophobicContact CD1-CH2 4.45Å; F141-W172 AromaticContact CD1-CZ3 3.56Å; F141-W172 HydrophobicContact CD1-CZ3 3.56Å; F141-W172 HydrophobicContact CD2-CD2 4.32Å; F141-W172 HydrophobicContact CD2-CE3 4.44Å; F141-W172 HydrophobicContact CD2-CG 4.42Å; F141-W172 HydrophobicContact CE1-CB 4.43Å; F141-W172 HydrophobicContact CE1-CD2 4.38Å; F141-W172 AromaticContact CE1-CE3 3.76Å; F141-W172 HydrophobicContact CE1-CE3 3.76Å; F141-W172 HydrophobicContact CE1-CZ3 4.41Å; F141-W172 HydrophobicContact CE2-CB 4.3Å; F141-W172 AromaticContact CG-CD2 3.9Å; F141-W172 HydrophobicContact CG-CD2 3.9Å; F141-W172 AromaticContact CG-CE3 3.66Å; F141-W172 HydrophobicContact CG-CE3 3.66Å; F141-W172 HydrophobicContact CG-CG 4.45Å; F141-W172 HydrophobicContact CG-CH2 4.43Å; F141-W172 AromaticContact CG-CZ3 3.94Å; F141-W172 HydrophobicContact CG-CZ3 3.94Å; F141-W172 HydrophobicContact CZ-CB 4.18Å; I159-W172 CarbonylContact C-O 3.58Å; I159-W172 VanDerWaalsContact CA-O 3.24Å; I159-W172 WeakPolarHBondContact CA-O 3.49Å; I159-W172 WeakPolarHBondContact CG2-O 3.24Å; L160-W172 HydrophobicContact CB-CB 4.24Å; L160-W172 PolarHBondContact N-O 3.46Å; L160-W172 PolarHBondContact O-N 3.49Å; T162-W172 PolarHBondContact OG1-NE1 3.47Å; K170-W172 HydrophobicContact CB-CZ2 4.22Å; K170-W172 HydrophobicContact CD-CH2 4.43Å; K170-W172 HydrophobicContact CD-CZ2 3.77Å; W172-C179 HydrophobicContact CD2-CB 4.12Å; W172-C179 HydrophobicContact CE3-CB 3.66Å; W172-C179 HydrophobicContact CH2-CB 3.81Å; W172-C179 HydrophobicContact CZ2-CB 4.25Å; W172-C179 HydrophobicContact CZ3-CB 3.5Å; W172-C179 VanDerWaalsContact CZ3-CB 3.5Å |
| 173 | D | 89 | Confident | 89.8 | Confident | 33 Ų | 33 | 35.1 Ų | 35.1 | 18% | 0.176 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.7 | 165.8 | -179 | 3.7 | 0 | 0 | 0 | 108.1 | Q175 C176 Q177 H178 F180 | D173-Q175 VanDerWaalsContact C-N 3.35Å; D173-Q175 PolarHBondContact OD1-N 3.27Å; D173-C176 HydrophobicContact CB-CB 4.31Å; D173-C176 WeakPolarHBondContact OD2-CB 3.45Å; D173-C176 PolarHBondContact OD2-SG 2.91Å; D173-Q177 WeakPolarHBondContact O-CA 3.25Å; D173-Q177 PolarHBondContact O-N 3.37Å; D173-H178 PolarHBondContact N-O 3.31Å; D173-H178 VanDerWaalsContact N-O 3.16Å; D173-F180 HydrophobicContact CB-CD1 3.92Å; D173-F180 HydrophobicContact CB-CE1 4.34Å |
| 174 | I | 86.9 | Confident | 89.4 | Confident | 34 Ų | 34 | 38.3 Ų | 38.3 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -34.2 | -178.1 | -57.2 | 166.4 | 0 | 0 | 0 | 110 | L129 F153 D158 L160 | L129-I174 HydrophobicContact CD2-CG2 3.87Å; F153-I174 HydrophobicContact CD1-CD1 3.94Å; F153-I174 HydrophobicContact CE1-CD1 3.66Å; D158-I174 HydrophobicContact CB-CB 4.27Å; D158-I174 HydrophobicContact CB-CD1 4.42Å; D158-I174 WeakPolarHBondContact O-CB 3.42Å; D158-I174 WeakPolarHBondContact O-CG1 3.29Å; D158-I174 PolarHBondContact O-N 2.91Å; L160-I174 HydrophobicContact CB-CG1 4.39Å |
| 175 | Q | 87.2 | Confident | 88.3 | Confident | 139 Ų | 139 | 38.8 Ų | 38.8 | 65% | 0.65 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -49.7 | -179.2 | -63.8 | -172.2 | -6 | 0 | 0 | 111 | D158 D173 | D158-Q175 HydrophobicContact CB-CG 4.04Å; D158-Q175 PolarHBondContact OD2-NE2 3.24Å; D173-Q175 VanDerWaalsContact C-N 3.35Å; D173-Q175 PolarHBondContact OD1-N 3.27Å |
| 176 | C | 83.7 | Confident | 87.4 | Confident | 77 Ų | 77 | 36.4 Ų | 36.4 | 52% | 0.52 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.6 | -177.3 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | D173 H178 | D173-C176 HydrophobicContact CB-CB 4.31Å; D173-C176 WeakPolarHBondContact OD2-CB 3.45Å; D173-C176 PolarHBondContact OD2-SG 2.91Å; C176-H178 VanDerWaalsContact C-N 3.27Å; C176-H178 WeakPolarHBondContact CB-CE1 3.35Å; C176-H178 WeakPolarHBondContact CB-ND1 3.45Å; C176-H178 PolarHBondContact O-N 3.49Å; C176-H178 VanDerWaalsContact O-N 3.16Å; C176-H178 PolarHBondContact O-ND1 3.45Å; C176-H178 VanDerWaalsContact O-ND1 3.17Å |
| 177 | Q | 86.3 | Confident | 86.9 | Confident | 67 Ų | 67 | 42.1 Ų | 42.1 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 35.6 | 172.8 | -67.2 | 173 | 38.6 | 0 | 0 | 114.8 | F139 D173 V718 | F139-Q177 VanDerWaalsContact CD1-CD 3.45Å; F139-Q177 HydrophobicContact CD1-CG 4.25Å; F139-Q177 HydrophobicContact CD2-CG 3.94Å; F139-Q177 HydrophobicContact CE1-CG 4.42Å; F139-Q177 VanDerWaalsContact CE1-OE1 3.3Å; F139-Q177 HydrophobicContact CE2-CG 4.09Å; F139-Q177 HydrophobicContact CG-CG 4.05Å; F139-Q177 HydrophobicContact CZ-CG 4.36Å; D173-Q177 WeakPolarHBondContact O-CA 3.25Å; D173-Q177 PolarHBondContact O-N 3.37Å; Q177-V718 HydrophobicContact CB-CG2 4.04Å; Q177-V718 WeakPolarHBondContact O-CG2 3.45Å |
| 178 | H | 87.2 | Confident | 86.7 | Confident | 71 Ų | 71 | 42.1 Ų | 42.1 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 155.3 | -180 | 69.1 | -75.3 | 0 | 0 | 0 | 111.3 | D173 C176 F180 | D173-H178 PolarHBondContact N-O 3.31Å; D173-H178 VanDerWaalsContact N-O 3.16Å; C176-H178 VanDerWaalsContact C-N 3.27Å; C176-H178 WeakPolarHBondContact CB-CE1 3.35Å; C176-H178 WeakPolarHBondContact CB-ND1 3.45Å; C176-H178 PolarHBondContact O-N 3.49Å; C176-H178 VanDerWaalsContact O-N 3.16Å; C176-H178 PolarHBondContact O-ND1 3.45Å; C176-H178 VanDerWaalsContact O-ND1 3.17Å; H178-F180 PolarHBondContact O-N 2.87Å |
| 179 | C | 87.5 | Confident | 86.6 | Confident | 21 Ų | 21 | 44 Ų | 44 | 14% | 0.142 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 105.1 | 168.3 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | F171 W172 Y181 T182 E717 | F171-C179 WeakPolarHBondContact O-CA 3.33Å; F171-C179 PolarHBondContact O-SG 3.16Å; F171-C179 VanDerWaalsContact O-SG 3.41Å; W172-C179 HydrophobicContact CD2-CB 4.12Å; W172-C179 HydrophobicContact CE3-CB 3.66Å; W172-C179 HydrophobicContact CH2-CB 3.81Å; W172-C179 HydrophobicContact CZ2-CB 4.25Å; W172-C179 HydrophobicContact CZ3-CB 3.5Å; W172-C179 VanDerWaalsContact CZ3-CB 3.5Å; C179-Y181 PolarHBondContact SG-O 3.31Å; C179-Y181 VanDerWaalsContact SG-O 3.41Å; C179-T182 PolarHBondContact SG-OG1 3.49Å; C179-E717 PolarHBondContact N-OE2 2.93Å; C179-E717 VanDerWaalsContact N-OE2 3.15Å |
| 180 | F | 87.3 | Confident | 86.6 | Confident | 20 Ų | 20 | 44 Ų | 44 | 9% | 0.088 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -21.6 | 177.7 | 72.3 | -93.7 | 0 | 0 | 0 | 112 | I159 F171 D173 H178 N248 Y250 V251 | I159-F180 HydrophobicContact CD1-CE1 4.39Å; I159-F180 HydrophobicContact CD1-CZ 4.28Å; I159-F180 HydrophobicContact CG1-CE1 4.47Å; I159-F180 HydrophobicContact CG2-CE1 4.05Å; I159-F180 HydrophobicContact CG2-CZ 4.25Å; F171-F180 HydrophobicContact CB-CD1 4.49Å; F171-F180 HydrophobicContact CB-CE1 3.79Å; F171-F180 HydrophobicContact CB-CE2 4.15Å; F171-F180 HydrophobicContact CB-CZ 3.59Å; F171-F180 HydrophobicContact CD1-CZ 4.5Å; F171-F180 HydrophobicContact CG-CZ 4.39Å; F171-F180 PolarHBondContact O-N 2.84Å; D173-F180 HydrophobicContact CB-CD1 3.92Å; D173-F180 HydrophobicContact CB-CE1 4.34Å; H178-F180 PolarHBondContact O-N 2.87Å; F180-N248 PolarHBondContact O-ND2 2.87Å; F180-Y250 HydrophobicContact CD2-CD2 4.25Å; F180-V251 HydrophobicContact CE2-CB 4.38Å; F180-V251 HydrophobicContact CE2-CG2 3.78Å; F180-V251 HydrophobicContact CZ-CG2 4.08Å |
| 181 | Y | 86.5 | Confident | 86.5 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 131.5 | -178.8 | -176.2 | -105 | 0 | 0 | 0 | 111.9 | F171 C179 L183 E246 N248 C253 | F171-Y181 AromaticContact CD2-CD1 3.53Å; F171-Y181 HydrophobicContact CD2-CD1 3.53Å; F171-Y181 HydrophobicContact CD2-CE1 4.31Å; F171-Y181 HydrophobicContact CD2-CG 4.49Å; F171-Y181 AromaticContact CE2-CD1 3.79Å; F171-Y181 HydrophobicContact CE2-CD1 3.79Å; F171-Y181 HydrophobicContact CE2-CE1 4.12Å; F171-Y181 HydrophobicContact CG-CD1 4.27Å; F171-Y181 PolarHBondContact N-O 3.35Å; C179-Y181 PolarHBondContact SG-O 3.31Å; C179-Y181 VanDerWaalsContact SG-O 3.41Å; Y181-L183 HydrophobicContact CE1-CB 3.94Å; Y181-L183 HydrophobicContact CE1-CD1 4.29Å; Y181-E246 HydrophobicContact CE2-CB 3.99Å; Y181-E246 WeakPolarHBondContact CE2-O 3.08Å; Y181-E246 WeakPolarHBondContact OH-CB 3.44Å; Y181-E246 PolarHBondContact OH-O 3.41Å; Y181-N248 HydrophobicContact CD2-CB 3.87Å; Y181-C253 HydrophobicContact CE1-CB 4.26Å; Y181-C253 WeakPolarHBondContact CE1-SG 3.26Å; Y181-C253 VanDerWaalsContact OH-CB 3.25Å; Y181-C253 WeakPolarHBondContact OH-CB 3.46Å; Y181-C253 PolarHBondContact OH-SG 3.33Å; Y181-C253 VanDerWaalsContact OH-SG 3.36Å |
| 182 | T | 90 | Very high | 86.4 | Confident | 55 Ų | 55 | 45.3 Ų | 45.3 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 107.8 | T168 K170 C179 | T168-T182 HydrophobicContact CG2-CG2 4.05Å; K170-T182 WeakPolarHBondContact CE-OG1 3.42Å; K170-T182 HydrophobicContact CG-CG2 3.99Å; C179-T182 PolarHBondContact SG-OG1 3.49Å |
| 183 | L | 88.2 | Confident | 86.5 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 115.4 | 172 | -177.3 | 71.1 | 0 | 0 | 0 | 108.1 | T168 V169 Y181 T185 L202 Y214 C253 | T168-L183 WeakPolarHBondContact CA-O 3.48Å; V169-L183 HydrophobicContact CB-CB 4.22Å; V169-L183 HydrophobicContact CB-CD2 4.45Å; V169-L183 PolarHBondContact N-O 3.45Å; V169-L183 PolarHBondContact O-N 3.27Å; Y181-L183 HydrophobicContact CE1-CB 3.94Å; Y181-L183 HydrophobicContact CE1-CD1 4.29Å; L183-T185 HydrophobicContact CD2-CG2 4.08Å; L183-T185 HydrophobicContact CG-CG2 4.25Å; L183-T185 PolarHBondContact O-N 3.13Å; L183-L202 HydrophobicContact CD2-CD2 3.9Å; L183-Y214 HydrophobicContact CD1-CD1 4.19Å; L183-Y214 HydrophobicContact CD1-CE1 3.89Å; L183-Y214 HydrophobicContact CD2-CD1 4.23Å; L183-Y214 HydrophobicContact CD2-CD2 4Å; L183-Y214 HydrophobicContact CD2-CE1 4.14Å; L183-Y214 HydrophobicContact CD2-CE2 3.91Å; L183-Y214 HydrophobicContact CD2-CG 4.16Å; L183-Y214 HydrophobicContact CG-CE1 4.42Å; L183-C253 HydrophobicContact CD1-CB 4.2Å |
| 184 | S | 85.2 | Confident | 86.6 | Confident | 67 Ų | 67 | 44.2 Ų | 44.2 | 47% | 0.469 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 107.6 | 168.8 | 69.1 | 0 | 0 | 0 | 0 | 108.7 | E246 | S184-E246 PolarHBondContact N-OE2 3.5Å; S184-E246 PolarHBondContact OG-OE1 3Å |
| 185 | T | 70.5 | Confident | 86.7 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | trans | -79.9 | 178.6 | 169.3 | 56.3 | 0 | 0 | 0 | 0 | 108.2 | A167 V169 L183 V190 V204 Y214 | A167-T185 PolarHBondContact O-N 3.48Å; A167-T185 PolarHBondContact O-OG1 3.49Å; V169-T185 HydrophobicContact CG2-CG2 4.41Å; L183-T185 HydrophobicContact CD2-CG2 4.08Å; L183-T185 HydrophobicContact CG-CG2 4.25Å; L183-T185 PolarHBondContact O-N 3.13Å; T185-V190 HydrophobicContact CG2-CG2 4.46Å; T185-V190 WeakPolarHBondContact OG1-CG2 3.43Å; T185-V204 HydrophobicContact CG2-CB 4.26Å; T185-V204 HydrophobicContact CG2-CG1 3.91Å; T185-V204 HydrophobicContact CG2-CG2 4.11Å; T185-Y214 HydrophobicContact CG2-CE2 3.99Å; T185-Y214 WeakPolarHBondContact CG2-OH 3.03Å | ||
| 186 | S | 73.7 | Confident | 86.5 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 20% | 0.203 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -48.1 | 166.4 | -179.5 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | A167 S188 E208 | A167-S186 WeakPolarHBondContact CB-O 3.49Å; S186-S188 PolarHBondContact O-N 3.25Å; S186-S188 PolarHBondContact OG-OG 3.05Å; S186-E208 PolarHBondContact OG-OE2 3.37Å |
| 187 | N | 82 | Confident | 85.9 | Confident | 178 Ų | 178 | 39.8 Ų | 39.8 | 95% | 0.952 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -64.8 | 25.7 | -179.2 | -72.2 | -11.6 | 0 | 0 | 0 | 114.9 | ||
| 188 | S | 87.9 | Confident | 85.4 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 10% | 0.098 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -123.6 | 151.2 | -174.9 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | A167 S186 V190 T206 S207 | A167-S188 WeakPolarHBondContact CA-O 3.46Å; A167-S188 WeakPolarHBondContact CB-O 3.09Å; S186-S188 PolarHBondContact O-N 3.25Å; S186-S188 PolarHBondContact OG-OG 3.05Å; S188-V190 PolarHBondContact O-N 3.18Å; S188-T206 VanDerWaalsContact OG-CB 3.26Å; S188-T206 WeakPolarHBondContact OG-CB 3.15Å; S188-S207 WeakPolarHBondContact CB-OG 3.24Å |
| 189 | E | 90.7 | Very high | 85 | Confident | 70 Ų | 70 | 42 Ų | 42 | 33% | 0.327 | 22% | 0.221 | S | C | . | . | trans | -63.4 | 133.6 | -172.8 | -52.4 | 175.3 | 166.4 | 0 | 0 | 111.8 | K165 W191 T206 S207 | K165-E189 WeakPolarHBondContact CE-OE1 3.49Å; K165-E189 WeakPolarHBondContact CE-OE2 3.36Å; K165-E189 HydrophobicContact CG-CB 3.93Å; K165-E189 HydrophobicContact CG-CG 3.84Å; K165-E189 IonicContact NZ-OE1 3.35Å; K165-E189 WeakPolarHBondContact O-CA 3.34Å; K165-E189 WeakPolarHBondContact O-CB 3.26Å; K165-E189 WeakPolarHBondContact O-CG 3.46Å; E189-W191 WeakPolarHBondContact OE2-CZ2 3.3Å; E189-W191 PolarHBondContact OE2-NE1 3.11Å; E189-T206 CarbonylContact O-C 3.5Å; E189-T206 VanDerWaalsContact O-CA 3.31Å; E189-T206 WeakPolarHBondContact O-CA 3.44Å; E189-S207 PolarHBondContact O-N 3.39Å | ||
| 190 | V | 92.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | T149 V169 T185 S188 V204 T206 | T149-V190 VanDerWaalsContact CG2-O 3.3Å; T149-V190 WeakPolarHBondContact CG2-O 3.41Å; T149-V190 PolarHBondContact OG1-O 3Å; V169-V190 HydrophobicContact CG2-CG1 4.3Å; T185-V190 HydrophobicContact CG2-CG2 4.46Å; T185-V190 WeakPolarHBondContact OG1-CG2 3.43Å; S188-V190 PolarHBondContact O-N 3.18Å; V190-V204 HydrophobicContact CB-CG1 4.28Å; V190-V204 HydrophobicContact CG1-CG1 3.48Å; V190-V204 VanDerWaalsContact CG1-CG1 3.48Å; V190-V204 HydrophobicContact CG2-CG1 3.77Å; V190-T206 HydrophobicContact CG2-CG2 4.29Å |
| 191 | W | 90.6 | Very high | 84.7 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 20% | 0.197 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -32 | -178.2 | -75 | 91.3 | 0 | 0 | 0 | 113.3 | T149 E189 G205 V267 | T149-W191 VanDerWaalsContact CB-O 3.29Å; T149-W191 WeakPolarHBondContact CB-O 3.31Å; T149-W191 HydrophobicContact CG2-CE3 4.49Å; E189-W191 WeakPolarHBondContact OE2-CZ2 3.3Å; E189-W191 PolarHBondContact OE2-NE1 3.11Å; W191-G205 PolarHBondContact N-O 3.15Å; W191-V267 WeakPolarHBondContact CB-O 3.49Å |
| 192 | S | 91.5 | Very high | 84.9 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 155.4 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | K150 G205 N269 L270 | K150-S192 VanDerWaalsContact CD-OG 3.31Å; K150-S192 WeakPolarHBondContact CD-OG 2.99Å; S192-G205 PolarHBondContact N-O 3.1Å; S192-G205 WeakPolarHBondContact O-CA 3.3Å; S192-G205 PolarHBondContact O-N 2.75Å; S192-N269 PolarHBondContact OG-OD1 3.1Å; S192-L270 WeakPolarHBondContact OG-CB 3.43Å; S192-L270 PolarHBondContact OG-N 2.73Å; S192-L270 PolarHBondContact OG-O 3.16Å |
| 193 | F | 93 | Very high | 85 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 163.6 | 165.3 | 69 | -85.1 | 0 | 0 | 0 | 110.2 | K150 V152 V161 S163 F195 L202 I203 V204 | K150-F193 HydrophobicContact CB-CD1 3.99Å; K150-F193 HydrophobicContact CB-CE1 3.74Å; K150-F193 WeakPolarHBondContact CD-O 3.36Å; K150-F193 WeakPolarHBondContact CE-O 3.46Å; K150-F193 HydrophobicContact CG-CD1 4.4Å; K150-F193 HydrophobicContact CG-CE1 4.08Å; K150-F193 HydrophobicContact CG-CZ 4.48Å; K150-F193 WeakPolarHBondContact O-CE1 3.22Å; V152-F193 HydrophobicContact CB-CE2 3.89Å; V152-F193 HydrophobicContact CB-CZ 3.99Å; V152-F193 HydrophobicContact CG2-CE2 3.7Å; V152-F193 HydrophobicContact CG2-CZ 3.76Å; V161-F193 HydrophobicContact CB-CE2 4.25Å; V161-F193 HydrophobicContact CB-CZ 4.21Å; V161-F193 HydrophobicContact CG1-CE2 3.93Å; V161-F193 HydrophobicContact CG1-CZ 3.95Å; V161-F193 WeakPolarHBondContact O-CZ 2.95Å; S163-F193 VanDerWaalsContact CB-CD1 3.46Å; S163-F193 VanDerWaalsContact OG-CD1 3.28Å; S163-F193 WeakPolarHBondContact OG-CD1 3.43Å; S163-F193 WeakPolarHBondContact OG-CE1 3.46Å; F193-F195 HydrophobicContact CD2-CD2 4.37Å; F193-F195 HydrophobicContact CD2-CE2 4.04Å; F193-F195 HydrophobicContact CE2-CD2 4.09Å; F193-F195 AromaticContact CE2-CE2 3.55Å; F193-F195 HydrophobicContact CE2-CE2 3.55Å; F193-F195 HydrophobicContact CE2-CZ 4.26Å; F193-L202 HydrophobicContact CB-CD1 3.89Å; F193-L202 HydrophobicContact CD2-CD1 3.52Å; F193-L202 HydrophobicContact CE2-CD1 4.47Å; F193-L202 HydrophobicContact CG-CD1 4.03Å; F193-I203 CarbonylContact C-O 3.58Å; F193-I203 WeakPolarHBondContact CA-O 3.37Å; F193-I203 WeakPolarHBondContact CB-O 3.49Å; F193-V204 HydrophobicContact CB-CG2 4.4Å |
| 194 | S | 90.8 | Very high | 85.1 | Confident | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 147.9 | 175 | -162.6 | 0 | 0 | 0 | 0 | 111.1 | I203 L270 F272 | S194-I203 PolarHBondContact N-O 2.9Å; S194-I203 PolarHBondContact O-N 2.63Å; S194-L270 VanDerWaalsContact CB-CD2 3.49Å; S194-L270 WeakPolarHBondContact CB-O 3.25Å; S194-F272 VanDerWaalsContact OG-CD2 3.23Å; S194-F272 WeakPolarHBondContact OG-CD2 3.41Å; S194-F272 PolarHBondContact OG-N 3.17Å |
| 195 | F | 89.2 | Confident | 85.3 | Confident | 16 Ų | 16 | 36.9 Ų | 36.9 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 138.1 | 175.6 | -72.3 | -73.7 | 0 | 0 | 0 | 110.7 | V152 I154 V161 F193 Y199 Q201 L202 L216 F272 | V152-F195 HydrophobicContact CB-CD2 4.43Å; V152-F195 HydrophobicContact CB-CE2 4.31Å; V152-F195 HydrophobicContact CG1-CD2 3.98Å; V152-F195 HydrophobicContact CG1-CE2 4.21Å; I154-F195 HydrophobicContact CD1-CZ 4.25Å; I154-F195 HydrophobicContact CG1-CE2 4.42Å; I154-F195 HydrophobicContact CG1-CZ 4.43Å; V161-F195 HydrophobicContact CB-CE2 4.05Å; V161-F195 HydrophobicContact CB-CZ 4Å; V161-F195 HydrophobicContact CG1-CE2 4.32Å; V161-F195 HydrophobicContact CG1-CZ 4Å; V161-F195 HydrophobicContact CG2-CE2 4.21Å; V161-F195 HydrophobicContact CG2-CZ 3.84Å; F193-F195 HydrophobicContact CD2-CD2 4.37Å; F193-F195 HydrophobicContact CD2-CE2 4.04Å; F193-F195 HydrophobicContact CE2-CD2 4.09Å; F193-F195 AromaticContact CE2-CE2 3.55Å; F193-F195 HydrophobicContact CE2-CE2 3.55Å; F193-F195 HydrophobicContact CE2-CZ 4.26Å; F195-Y199 HydrophobicContact CB-CD1 3.64Å; F195-Y199 HydrophobicContact CB-CE1 3.75Å; F195-Y199 HydrophobicContact CB-CG 4.45Å; F195-Y199 AromaticContact CD1-CD1 3.89Å; F195-Y199 HydrophobicContact CD1-CD1 3.89Å; F195-Y199 AromaticContact CD2-CD1 3.91Å; F195-Y199 HydrophobicContact CD2-CD1 3.91Å; F195-Y199 AromaticContact CD2-CE1 3.91Å; F195-Y199 HydrophobicContact CD2-CE1 3.91Å; F195-Y199 AromaticContact CG-CD1 3.55Å; F195-Y199 HydrophobicContact CG-CD1 3.55Å; F195-Y199 AromaticContact CG-CE1 3.87Å; F195-Y199 HydrophobicContact CG-CE1 3.87Å; F195-Q201 WeakPolarHBondContact CA-O 3.29Å; F195-L202 HydrophobicContact CD1-CB 4.36Å; F195-L202 HydrophobicContact CD1-CD1 4.16Å; F195-L202 HydrophobicContact CE1-CB 4.1Å; F195-L202 HydrophobicContact CE1-CD1 3.75Å; F195-L202 HydrophobicContact CE1-CG 4.46Å; F195-L202 HydrophobicContact CE2-CD1 4.45Å; F195-L202 HydrophobicContact CZ-CD1 3.9Å; F195-L216 HydrophobicContact CD1-CD1 4.17Å; F195-L216 HydrophobicContact CE1-CD1 3.56Å; F195-F272 WeakPolarHBondContact O-CD2 3Å; F195-F272 WeakPolarHBondContact O-CE2 3.27Å |
| 196 | C | 83 | Confident | 86.2 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 15% | 0.149 | 19% | 0.187 | C | C | . | . | trans | -65.6 | 152.2 | 163.4 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | N198 Y199 Q201 F272 | C196-N198 PolarHBondContact O-N 3.16Å; C196-Y199 PolarHBondContact O-N 2.63Å; C196-Q201 HydrophobicContact CB-CB 4.16Å; C196-Q201 PolarHBondContact N-O 3.09Å; C196-Q201 VanDerWaalsContact N-O 3.15Å; C196-F272 HydrophobicContact CB-CE2 4.29Å; C196-F272 HydrophobicContact CB-CZ 4.15Å | ||
| 197 | K | 70.9 | Confident | 86.8 | Confident | 120 Ų | 120 | 37.2 Ų | 37.2 | 52% | 0.522 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -21 | -172.5 | -169.4 | 164.2 | -178.5 | 160.1 | 0 | 115.8 | P274 D275 | K197-P274 PolarHBondContact NZ-O 2.72Å; K197-D275 VanDerWaalsContact CD-O 3.3Å; K197-D275 WeakPolarHBondContact CD-O 3.47Å; K197-D275 PolarHBondContact NZ-O 3.15Å |
| 198 | N | 74.8 | Confident | 87 | Confident | 123 Ų | 123 | 32.6 Ų | 32.6 | 66% | 0.658 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 4.1 | 178 | -64.2 | -18.7 | 0 | 0 | 0 | 114.5 | C196 S200 | C196-N198 PolarHBondContact O-N 3.16Å; N198-S200 PolarHBondContact O-N 3.21Å |
| 199 | Y | 80.6 | Confident | 86.8 | Confident | 61 Ų | 61 | 34.8 Ų | 34.8 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 51.7 | 23.6 | -176.1 | -58.9 | -92.9 | 0 | 0 | 0 | 114 | I154 P155 F195 C196 W218 | I154-Y199 HydrophobicContact CB-CD1 4.49Å; I154-Y199 HydrophobicContact CG1-CD1 4.2Å; I154-Y199 HydrophobicContact CG2-CD1 4.11Å; I154-Y199 HydrophobicContact CG2-CG 4.23Å; P155-Y199 VanDerWaalsContact CD-OH 3.26Å; P155-Y199 WeakPolarHBondContact CD-OH 3.38Å; P155-Y199 HydrophobicContact CG-CD2 3.63Å; P155-Y199 HydrophobicContact CG-CE1 4.23Å; P155-Y199 HydrophobicContact CG-CE2 3.05Å; P155-Y199 HydrophobicContact CG-CG 4.45Å; F195-Y199 HydrophobicContact CB-CD1 3.64Å; F195-Y199 HydrophobicContact CB-CE1 3.75Å; F195-Y199 HydrophobicContact CB-CG 4.45Å; F195-Y199 AromaticContact CD1-CD1 3.89Å; F195-Y199 HydrophobicContact CD1-CD1 3.89Å; F195-Y199 AromaticContact CD2-CD1 3.91Å; F195-Y199 HydrophobicContact CD2-CD1 3.91Å; F195-Y199 AromaticContact CD2-CE1 3.91Å; F195-Y199 HydrophobicContact CD2-CE1 3.91Å; F195-Y199 AromaticContact CG-CD1 3.55Å; F195-Y199 HydrophobicContact CG-CD1 3.55Å; F195-Y199 AromaticContact CG-CE1 3.87Å; F195-Y199 HydrophobicContact CG-CE1 3.87Å; C196-Y199 PolarHBondContact O-N 2.63Å; Y199-W218 PolarHBondContact O-NE1 3.19Å |
| 200 | S | 82.5 | Confident | 86.6 | Confident | 50 Ų | 50 | 34.3 Ų | 34.3 | 35% | 0.35 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -87.3 | -16.3 | 176.7 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | N198 L216 | N198-S200 PolarHBondContact O-N 3.21Å; S200-L216 PolarHBondContact O-N 3.05Å |
| 201 | Q | 85.9 | Confident | 86.4 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 137.3 | -176.8 | -66.1 | -170.6 | -16.9 | 0 | 0 | 110.5 | F195 C196 Y214 D215 R333 Y334 | F195-Q201 WeakPolarHBondContact CA-O 3.29Å; C196-Q201 HydrophobicContact CB-CB 4.16Å; C196-Q201 PolarHBondContact N-O 3.09Å; C196-Q201 VanDerWaalsContact N-O 3.15Å; Q201-Y214 CarbonylContact C-O 3.53Å; Q201-Y214 VanDerWaalsContact CA-O 3.27Å; Q201-Y214 WeakPolarHBondContact CA-O 3.07Å; Q201-D215 VanDerWaalsContact CG-OD1 3.25Å; Q201-D215 WeakPolarHBondContact CG-OD1 3.47Å; Q201-D215 PolarHBondContact NE2-OD1 2.79Å; Q201-R333 VanDerWaalsContact NE2-CZ 3.29Å; Q201-Y334 PolarHBondContact OE1-OH 2.79Å |
| 202 | L | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.5 | 174 | 172.8 | 69.8 | 0 | 0 | 0 | 108.1 | V169 F171 L183 F193 F195 V204 Y214 L216 | V169-L202 HydrophobicContact CG1-CD2 4.39Å; F171-L202 HydrophobicContact CZ-CD2 4.25Å; L183-L202 HydrophobicContact CD2-CD2 3.9Å; F193-L202 HydrophobicContact CB-CD1 3.89Å; F193-L202 HydrophobicContact CD2-CD1 3.52Å; F193-L202 HydrophobicContact CE2-CD1 4.47Å; F193-L202 HydrophobicContact CG-CD1 4.03Å; F195-L202 HydrophobicContact CD1-CB 4.36Å; F195-L202 HydrophobicContact CD1-CD1 4.16Å; F195-L202 HydrophobicContact CE1-CB 4.1Å; F195-L202 HydrophobicContact CE1-CD1 3.75Å; F195-L202 HydrophobicContact CE1-CG 4.46Å; F195-L202 HydrophobicContact CE2-CD1 4.45Å; F195-L202 HydrophobicContact CZ-CD1 3.9Å; L202-V204 HydrophobicContact CD2-CG2 4.01Å; L202-V204 HydrophobicContact CG-CG2 3.94Å; L202-Y214 PolarHBondContact N-O 3.12Å; L202-Y214 PolarHBondContact O-N 2.92Å; L202-L216 HydrophobicContact CB-CD1 3.89Å; L202-L216 HydrophobicContact CB-CG 4.22Å |
| 203 | I | 91.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.3 | 172 | -54.6 | 179 | 0 | 0 | 0 | 107.5 | F193 S194 L211 Q212 V213 L270 F272 L279 Y334 | F193-I203 CarbonylContact C-O 3.58Å; F193-I203 WeakPolarHBondContact CA-O 3.37Å; F193-I203 WeakPolarHBondContact CB-O 3.49Å; S194-I203 PolarHBondContact N-O 2.9Å; S194-I203 PolarHBondContact O-N 2.63Å; I203-L211 HydrophobicContact CG2-CB 4.14Å; I203-Q212 CarbonylContact C-O 3.59Å; I203-Q212 WeakPolarHBondContact CA-O 3.27Å; I203-V213 HydrophobicContact CG1-CG1 4.39Å; I203-V213 HydrophobicContact CG1-CG2 4.2Å; I203-V213 HydrophobicContact CG2-CG2 4.44Å; I203-L270 HydrophobicContact CB-CD2 3.79Å; I203-L270 HydrophobicContact CG2-CD1 4.24Å; I203-L270 HydrophobicContact CG2-CD2 3.67Å; I203-L270 WeakPolarHBondContact O-CD2 3.44Å; I203-F272 HydrophobicContact CD1-CE2 3.94Å; I203-F272 HydrophobicContact CD1-CZ 3.68Å; I203-L279 HydrophobicContact CD1-CD1 4.17Å; I203-L279 HydrophobicContact CD1-CD2 3.44Å; I203-L279 VanDerWaalsContact CD1-CD2 3.44Å; I203-L279 HydrophobicContact CD1-CG 4.41Å; I203-Y334 HydrophobicContact CD1-CD1 4.35Å; I203-Y334 HydrophobicContact CD1-CE1 3.62Å; I203-Y334 HydrophobicContact CD1-CE2 4.25Å |
| 204 | V | 90.7 | Very high | 86 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127 | 179.2 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | V169 T185 V190 F193 L202 T206 Q212 Y214 | V169-V204 HydrophobicContact CG2-CG1 4.41Å; V169-V204 HydrophobicContact CG2-CG2 4.25Å; T185-V204 HydrophobicContact CG2-CB 4.26Å; T185-V204 HydrophobicContact CG2-CG1 3.91Å; T185-V204 HydrophobicContact CG2-CG2 4.11Å; V190-V204 HydrophobicContact CB-CG1 4.28Å; V190-V204 HydrophobicContact CG1-CG1 3.48Å; V190-V204 VanDerWaalsContact CG1-CG1 3.48Å; V190-V204 HydrophobicContact CG2-CG1 3.77Å; F193-V204 HydrophobicContact CB-CG2 4.4Å; L202-V204 HydrophobicContact CD2-CG2 4.01Å; L202-V204 HydrophobicContact CG-CG2 3.94Å; V204-T206 HydrophobicContact CG1-CG2 4.37Å; V204-Q212 PolarHBondContact N-O 2.64Å; V204-Q212 PolarHBondContact O-N 3.05Å; V204-Y214 HydrophobicContact CB-CE2 4.37Å; V204-Y214 HydrophobicContact CG2-CD2 4.01Å; V204-Y214 HydrophobicContact CG2-CE2 3.9Å |
| 205 | G | 90.1 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 111.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | W191 S192 | W191-G205 PolarHBondContact N-O 3.15Å; S192-G205 PolarHBondContact N-O 3.1Å; S192-G205 WeakPolarHBondContact O-CA 3.3Å; S192-G205 PolarHBondContact O-N 2.75Å |
| 206 | T | 87.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 179.7 | 173.7 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | S188 E189 V190 V204 E208 V267 | S188-T206 VanDerWaalsContact OG-CB 3.26Å; S188-T206 WeakPolarHBondContact OG-CB 3.15Å; E189-T206 CarbonylContact O-C 3.5Å; E189-T206 VanDerWaalsContact O-CA 3.31Å; E189-T206 WeakPolarHBondContact O-CA 3.44Å; V190-T206 HydrophobicContact CG2-CG2 4.29Å; V204-T206 HydrophobicContact CG1-CG2 4.37Å; T206-E208 PolarHBondContact O-N 2.97Å; T206-E208 WeakPolarHBondContact OG1-CB 3.24Å; T206-E208 PolarHBondContact OG1-N 2.87Å; T206-V267 WeakPolarHBondContact O-CG2 3.5Å |
| 207 | S | 86.7 | Confident | 85.7 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 33% | 0.329 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -65.9 | -17.8 | 169.6 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | S188 E189 R261 | S188-S207 WeakPolarHBondContact CB-OG 3.24Å; E189-S207 PolarHBondContact O-N 3.39Å; S207-R261 PolarHBondContact O-NH2 3.45Å |
| 208 | E | 85.5 | Confident | 86 | Confident | 81 Ų | 81 | 34.7 Ų | 34.7 | 38% | 0.379 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -73.5 | 166.8 | -177.9 | -61.8 | 177.4 | 148.5 | 0 | 0 | 112.4 | S186 T206 Q210 R261 | S186-E208 PolarHBondContact OG-OE2 3.37Å; T206-E208 PolarHBondContact O-N 2.97Å; T206-E208 WeakPolarHBondContact OG1-CB 3.24Å; T206-E208 PolarHBondContact OG1-N 2.87Å; E208-Q210 PolarHBondContact O-N 3.21Å; E208-R261 PolarHBondContact O-NE 3.09Å; E208-R261 PolarHBondContact O-NH2 3.23Å |
| 209 | S | 84.2 | Confident | 85.9 | Confident | 59 Ų | 59 | 31.5 Ų | 31.5 | 41% | 0.413 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -72.8 | 1.4 | 177.1 | 58 | 0 | 0 | 0 | 0 | 114.2 | R261 | S209-R261 VanDerWaalsContact CA-NE 3.33Å; S209-R261 WeakPolarHBondContact O-CG 3.15Å; S209-R261 PolarHBondContact O-N 3.22Å |
| 210 | Q | 87 | Confident | 85 | Confident | 61 Ų | 61 | 33.1 Ų | 33.1 | 29% | 0.285 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.7 | -175 | -69.4 | 179.5 | 6 | 0 | 0 | 109.4 | E208 V259 F260 | E208-Q210 PolarHBondContact O-N 3.21Å; Q210-V259 CarbonylContact C-O 3.55Å; Q210-V259 WeakPolarHBondContact CA-O 2.95Å; Q210-F260 HydrophobicContact CG-CD1 3.78Å; Q210-F260 HydrophobicContact CG-CE1 3.56Å; Q210-F260 HydrophobicContact CG-CG 4.41Å; Q210-F260 HydrophobicContact CG-CZ 4Å |
| 211 | L | 88.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 124.6 | 165.2 | -61.1 | 175.9 | 0 | 0 | 0 | 108 | I203 S258 V259 V267 L270 C281 Y291 | I203-L211 HydrophobicContact CG2-CB 4.14Å; L211-S258 CarbonylContact O-C 3.56Å; L211-S258 VanDerWaalsContact O-CA 3.23Å; L211-S258 WeakPolarHBondContact O-CA 3.49Å; L211-V259 HydrophobicContact CB-CB 4.27Å; L211-V259 PolarHBondContact N-O 3.24Å; L211-V259 PolarHBondContact O-N 3.45Å; L211-V267 HydrophobicContact CD2-CG2 3.98Å; L211-L270 HydrophobicContact CD1-CD1 3.84Å; L211-L270 HydrophobicContact CD2-CD1 3.83Å; L211-L270 HydrophobicContact CG-CD1 4.46Å; L211-C281 HydrophobicContact CD1-CB 4.22Å; L211-Y291 HydrophobicContact CD1-CE2 4.34Å |
| 212 | Q | 88.5 | Confident | 81.5 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129 | 178.3 | -66.5 | -176.7 | -24.4 | 0 | 0 | 109.5 | I203 V204 Y214 | I203-Q212 CarbonylContact C-O 3.59Å; I203-Q212 WeakPolarHBondContact CA-O 3.27Å; V204-Q212 PolarHBondContact N-O 2.64Å; V204-Q212 PolarHBondContact O-N 3.05Å; Q212-Y214 HydrophobicContact CB-CD2 4.47Å; Q212-Y214 HydrophobicContact CB-CE2 3.69Å; Q212-Y214 PolarHBondContact OE1-OH 3.44Å |
| 213 | V | 89.6 | Confident | 79.1 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.1 | 178.8 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | I203 F256 G257 V259 V330 Y334 | I203-V213 HydrophobicContact CG1-CG1 4.39Å; I203-V213 HydrophobicContact CG1-CG2 4.2Å; I203-V213 HydrophobicContact CG2-CG2 4.44Å; V213-F256 HydrophobicContact CG1-CB 4.25Å; V213-F256 HydrophobicContact CG1-CD1 4.39Å; V213-F256 WeakPolarHBondContact O-CA 3.25Å; V213-F256 WeakPolarHBondContact O-CB 3.4Å; V213-F256 PolarHBondContact O-N 3.06Å; V213-G257 PolarHBondContact N-O 3.32Å; V213-G257 PolarHBondContact O-N 3.31Å; V213-V259 HydrophobicContact CG2-CG2 4Å; V213-V330 HydrophobicContact CB-CG1 4.39Å; V213-V330 HydrophobicContact CG2-CG1 3.91Å; V213-Y334 HydrophobicContact CG1-CE2 3.99Å; V213-Y334 HydrophobicContact CG2-CD2 4.47Å; V213-Y334 HydrophobicContact CG2-CE2 4.38Å |
| 214 | Y | 88.6 | Confident | 76.6 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 9% | 0.086 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.8 | 177.5 | -63 | -89.5 | 0 | 0 | 0 | 109.7 | L183 T185 Q201 L202 V204 Q212 K254 P255 | L183-Y214 HydrophobicContact CD1-CD1 4.19Å; L183-Y214 HydrophobicContact CD1-CE1 3.89Å; L183-Y214 HydrophobicContact CD2-CD1 4.23Å; L183-Y214 HydrophobicContact CD2-CD2 4Å; L183-Y214 HydrophobicContact CD2-CE1 4.14Å; L183-Y214 HydrophobicContact CD2-CE2 3.91Å; L183-Y214 HydrophobicContact CD2-CG 4.16Å; L183-Y214 HydrophobicContact CG-CE1 4.42Å; T185-Y214 HydrophobicContact CG2-CE2 3.99Å; T185-Y214 WeakPolarHBondContact CG2-OH 3.03Å; Q201-Y214 CarbonylContact C-O 3.53Å; Q201-Y214 VanDerWaalsContact CA-O 3.27Å; Q201-Y214 WeakPolarHBondContact CA-O 3.07Å; L202-Y214 PolarHBondContact N-O 3.12Å; L202-Y214 PolarHBondContact O-N 2.92Å; V204-Y214 HydrophobicContact CB-CE2 4.37Å; V204-Y214 HydrophobicContact CG2-CD2 4.01Å; V204-Y214 HydrophobicContact CG2-CE2 3.9Å; Q212-Y214 HydrophobicContact CB-CD2 4.47Å; Q212-Y214 HydrophobicContact CB-CE2 3.69Å; Q212-Y214 PolarHBondContact OE1-OH 3.44Å; Y214-K254 CarbonylContact C-O 3.57Å; Y214-K254 WeakPolarHBondContact CA-O 3.47Å; Y214-P255 HydrophobicContact CD1-CB 4.21Å; Y214-P255 HydrophobicContact CE1-CB 4.09Å |
| 215 | D | 87.3 | Confident | 74.2 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 129.3 | 167.1 | -82.8 | -7.8 | 0 | 0 | 0 | 108.5 | Q201 C253 K254 F256 R333 | Q201-D215 VanDerWaalsContact CG-OD1 3.25Å; Q201-D215 WeakPolarHBondContact CG-OD1 3.47Å; Q201-D215 PolarHBondContact NE2-OD1 2.79Å; D215-C253 WeakPolarHBondContact O-CA 3.43Å; D215-K254 PolarHBondContact N-O 2.92Å; D215-K254 PolarHBondContact O-N 3.41Å; D215-F256 WeakPolarHBondContact OD2-CD2 3.28Å; D215-R333 VanDerWaalsContact CG-NH1 3.32Å; D215-R333 IonicContact OD1-NH1 2.96Å; D215-R333 PolarHBondContact OD1-NH1 2.84Å; D215-R333 IonicContact OD2-CZ 3.37Å; D215-R333 IonicContact OD2-NH1 3.88Å; D215-R333 PolarHBondContact OD2-NH1 3.07Å; D215-R333 IonicContact OD2-NH2 3.89Å |
| 216 | L | 86.4 | Confident | 72 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.8 | -179.4 | -62.9 | 179.1 | 0 | 0 | 0 | 110.4 | F171 F195 S200 L202 W218 V251 C253 | F171-L216 HydrophobicContact CZ-CD2 4.39Å; F195-L216 HydrophobicContact CD1-CD1 4.17Å; F195-L216 HydrophobicContact CE1-CD1 3.56Å; S200-L216 PolarHBondContact O-N 3.05Å; L202-L216 HydrophobicContact CB-CD1 3.89Å; L202-L216 HydrophobicContact CB-CG 4.22Å; L216-W218 HydrophobicContact CD1-CZ2 4.38Å; L216-V251 HydrophobicContact CD2-CG1 4.22Å; L216-C253 HydrophobicContact CD2-CB 4.11Å; L216-C253 WeakPolarHBondContact CD2-SG 3.41Å |
| 217 | E | 81.7 | Confident | 69.6 | Low | 74 Ų | 74 | 69.4 Ų | 69.4 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 112.7 | 170.3 | -72.1 | 172.9 | -169.8 | 0 | 0 | 109 | R252 K254 | E217-R252 HydrophobicContact CB-CB 4.23Å; E217-R252 PolarHBondContact N-O 3.31Å; E217-R252 PolarHBondContact O-N 3.33Å; E217-R252 IonicContact OE2-CZ 3.75Å; E217-R252 IonicContact OE2-NH1 2.78Å; E217-R252 PolarHBondContact OE2-NH1 3.45Å; E217-R252 VanDerWaalsContact OE2-NH1 3.11Å; E217-K254 VanDerWaalsContact CD-NZ 3.34Å; E217-K254 IonicContact OE1-NZ 3.37Å; E217-K254 PolarHBondContact OE1-NZ 3.38Å; E217-K254 IonicContact OE2-NZ 3.49Å; E217-K254 PolarHBondContact OE2-NZ 3.13Å |
| 218 | W | 78.9 | Confident | 67.3 | Low | 54 Ų | 54 | 73.3 Ų | 73.3 | 21% | 0.205 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.2 | 175.1 | -60.8 | 91.8 | 0 | 0 | 0 | 110.3 | I154 K157 I159 F171 Y199 L216 V251 | I154-W218 HydrophobicContact CD1-CH2 3.24Å; I154-W218 HydrophobicContact CD1-CZ2 3.42Å; I154-W218 VanDerWaalsContact CD1-CZ2 3.42Å; I154-W218 HydrophobicContact CD1-CZ3 4.39Å; K157-W218 HydrophobicContact CD-CD2 4.18Å; K157-W218 HydrophobicContact CD-CE3 3.97Å; K157-W218 HydrophobicContact CD-CZ3 4.32Å; K157-W218 VanDerWaalsContact NZ-CD2 3.27Å; I159-W218 HydrophobicContact CD1-CE3 4.3Å; I159-W218 HydrophobicContact CD1-CH2 4.16Å; I159-W218 HydrophobicContact CD1-CZ3 3.47Å; I159-W218 VanDerWaalsContact CD1-CZ3 3.47Å; F171-W218 HydrophobicContact CD1-CH2 4.35Å; F171-W218 HydrophobicContact CE1-CH2 4.29Å; Y199-W218 PolarHBondContact O-NE1 3.19Å; L216-W218 HydrophobicContact CD1-CZ2 4.38Å; W218-V251 HydrophobicContact CD2-CG2 4.32Å; W218-V251 HydrophobicContact CE3-CG2 3.47Å; W218-V251 VanDerWaalsContact CE3-CG2 3.47Å; W218-V251 HydrophobicContact CH2-CG2 3.99Å; W218-V251 HydrophobicContact CZ3-CG2 3.27Å |
| 219 | L | 72.8 | Confident | 64.8 | Low | 56 Ų | 56 | 72.1 Ų | 72.1 | 29% | 0.293 | 38% | 0.383 | S | S | . | . | trans | -96.9 | 101.9 | -179.4 | -67.5 | 159.8 | 0 | 0 | 0 | 109 | G221 Y250 R252 | L219-G221 VanDerWaalsContact C-N 3.26Å; L219-G221 PolarHBondContact O-N 3.11Å; L219-Y250 PolarHBondContact N-O 2.95Å; L219-R252 HydrophobicContact CD1-CB 4.41Å | ||
| 220 | D | 60.2 | Low | 62.8 | Low | 95 Ų | 95 | 76.4 Ų | 76.4 | 51% | 0.508 | 39% | 0.391 | S | S | . | . | trans | -74.6 | 76.2 | 175.8 | -69.4 | -13.2 | 0 | 0 | 0 | 109.7 | E222 R897 | D220-E222 PolarHBondContact O-N 3.41Å; D220-R897 IonicContact OD2-CZ 3.62Å; D220-R897 IonicContact OD2-NH1 3.55Å; D220-R897 IonicContact OD2-NH2 3.74Å; D220-R897 PolarHBondContact OD2-NH2 3.41Å | ||
| 221 | G | 51.6 | Low | 60.2 | Low | 67 Ų | 67 | 77.2 Ų | 77.2 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 48.9 | -4.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | L219 E223 | L219-G221 VanDerWaalsContact C-N 3.26Å; L219-G221 PolarHBondContact O-N 3.11Å; G221-E223 PolarHBondContact O-N 3.32Å |
| 222 | E | 43.1 | Very low | 57.4 | Low | 132 Ų | 132 | 80.5 Ų | 80.5 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | trans | -76.3 | 123.3 | 177.1 | -69.3 | -175.1 | 151 | 0 | 0 | 108.4 | D220 N224 K901 | D220-E222 PolarHBondContact O-N 3.41Å; E222-N224 PolarHBondContact O-N 3.29Å; E222-K901 IonicContact OE1-NZ 3.78Å; E222-K901 PolarHBondContact OE1-NZ 2.85Å; E222-K901 WeakPolarHBondContact OE2-CE 3.24Å; E222-K901 IonicContact OE2-NZ 3.91Å; E222-K901 PolarHBondContact OE2-NZ 3.45Å | ||
| 223 | E | 39.7 | Very low | 54.7 | Low | 169 Ų | 169 | 81.5 Ų | 81.5 | 79% | 0.79 | 45% | 0.446 | S | S | * | . | trans | -40 | 92.8 | 179.4 | -64.1 | 170.6 | 157.4 | 0 | 0 | 112.3 | G221 | G221-E223 PolarHBondContact O-N 3.32Š| ||
| 224 | N | 39.9 | Very low | 52.1 | Low | 107 Ų | 107 | 89.3 Ų | 89.3 | 57% | 0.572 | 48% | 0.482 | S | S | * | . | trans | -92.6 | 95.7 | 156.4 | -86.6 | -6.2 | 0 | 0 | 0 | 106.8 | E222 E226 | E222-N224 PolarHBondContact O-N 3.29Å; N224-E226 PolarHBondContact O-N 2.69Å | ||
| 225 | D | 39.5 | Very low | 49.5 | Very low | 127 Ų | 127 | 97.5 Ų | 97.5 | 68% | 0.679 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 5 | 168.4 | -90.9 | -24.1 | 0 | 0 | 0 | 114 | M227 L228 | D225-M227 VanDerWaalsContact C-N 3.27Å; D225-M227 PolarHBondContact O-N 3.24Å; D225-L228 PolarHBondContact O-N 2.85Å |
| 226 | E | 43.8 | Very low | 46.7 | Very low | 118 Ų | 118 | 103.4 Ų | 103.4 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17.9 | 175.6 | -66 | -175.4 | 160.9 | 0 | 0 | 112.9 | N224 L228 S229 Y230 | N224-E226 PolarHBondContact O-N 2.69Å; E226-L228 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.23Å; E226-S229 WeakPolarHBondContact O-CB 3.47Å; E226-S229 PolarHBondContact O-N 3.4Å; E226-S229 VanDerWaalsContact O-N 3.11Å; E226-S229 PolarHBondContact O-OG 3.11Å; E226-Y230 WeakPolarHBondContact O-CD2 2.98Å; E226-Y230 WeakPolarHBondContact O-CE2 3.34Å |
| 227 | M | 39.2 | Very low | 43.9 | Very low | 110 Ų | 110 | 107.5 Ų | 107.5 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.5 | -20.4 | 175.7 | -87 | -84.8 | -93 | 0 | 0 | 113.8 | D225 S229 | D225-M227 VanDerWaalsContact C-N 3.27Å; D225-M227 PolarHBondContact O-N 3.24Å; M227-S229 VanDerWaalsContact C-N 3.29Å |
| 228 | L | 37 | Very low | 41.4 | Very low | 129 Ų | 129 | 109.4 Ų | 109.4 | 68% | 0.675 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -76.6 | -16.8 | 170.1 | -81.7 | 156.5 | 0 | 0 | 0 | 112.5 | D225 E226 S232 | D225-L228 PolarHBondContact O-N 2.85Å; E226-L228 VanDerWaalsContact C-N 3.31Å; E226-L228 PolarHBondContact O-N 3.23Å; L228-S232 PolarHBondContact O-OG 2.88Å |
| 229 | S | 32.8 | Very low | 38.9 | Very low | 57 Ų | 57 | 116.7 Ų | 116.7 | 40% | 0.399 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -79 | -24.8 | 179.5 | 78.2 | 0 | 0 | 0 | 0 | 113.4 | E226 M227 S232 A233 | E226-S229 WeakPolarHBondContact O-CB 3.47Å; E226-S229 PolarHBondContact O-N 3.4Å; E226-S229 VanDerWaalsContact O-N 3.11Å; E226-S229 PolarHBondContact O-OG 3.11Å; M227-S229 VanDerWaalsContact C-N 3.29Å; S229-S232 WeakPolarHBondContact CA-OG 3.48Å; S229-S232 PolarHBondContact O-N 3.08Å; S229-S232 PolarHBondContact O-OG 2.94Å; S229-A233 WeakPolarHBondContact O-CB 3.34Å; S229-A233 PolarHBondContact O-N 3Å |
| 230 | Y | 42 | Very low | 36.9 | Very low | 149 Ų | 149 | 119.2 Ų | 119.2 | 58% | 0.584 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.7 | -36.8 | 179.2 | -64.3 | -76.8 | 0 | 0 | 0 | 112.9 | E226 S232 A233 | E226-Y230 WeakPolarHBondContact O-CD2 2.98Å; E226-Y230 WeakPolarHBondContact O-CE2 3.34Å; Y230-S232 PolarHBondContact O-N 2.92Å; Y230-A233 PolarHBondContact O-N 3.43Å |
| 231 | A | 32.7 | Very low | 35.5 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.6 | -14.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 232 | S | 30.8 | Very low | 34.6 | Very low | 70 Ų | 70 | 127 Ų | 127 | 49% | 0.49 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -100.2 | -15.1 | 175.7 | 47.7 | 0 | 0 | 0 | 0 | 113.6 | L228 S229 Y230 K235 | L228-S232 PolarHBondContact O-OG 2.88Å; S229-S232 WeakPolarHBondContact CA-OG 3.48Å; S229-S232 PolarHBondContact O-N 3.08Å; S229-S232 PolarHBondContact O-OG 2.94Å; Y230-S232 PolarHBondContact O-N 2.92Å; S232-K235 PolarHBondContact O-N 3.22Å |
| 233 | A | 32 | Very low | 34.6 | Very low | 56 Ų | 56 | 125.3 Ų | 125.3 | 46% | 0.463 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -75.3 | -20.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S229 Y230 K235 Q236 | S229-A233 WeakPolarHBondContact O-CB 3.34Å; S229-A233 PolarHBondContact O-N 3Å; Y230-A233 PolarHBondContact O-N 3.43Å; A233-K235 PolarHBondContact O-N 3.35Å; A233-Q236 PolarHBondContact O-N 2.95Å; A233-Q236 VanDerWaalsContact O-N 3.1Å |
| 234 | E | 33.2 | Very low | 34.8 | Very low | 165 Ų | 165 | 123 Ų | 123 | 77% | 0.771 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -11.3 | 172 | -76.9 | -176.2 | 162.4 | 0 | 0 | 113.6 | ||
| 235 | K | 35.6 | Very low | 35.2 | Very low | 195 Ų | 195 | 122.3 Ų | 122.3 | 85% | 0.848 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -3.1 | 175.4 | -76.2 | -177.1 | 177.2 | 175.8 | 0 | 114.9 | S232 A233 | S232-K235 PolarHBondContact O-N 3.22Å; A233-K235 PolarHBondContact O-N 3.35Å |
| 236 | Q | 27.5 | Very low | 35.8 | Very low | 156 Ų | 156 | 120.1 Ų | 120.1 | 73% | 0.729 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -126.3 | 104.2 | 174.7 | -71.1 | -174.6 | -6 | 0 | 0 | 108.9 | A233 V238 | A233-Q236 PolarHBondContact O-N 2.95Å; A233-Q236 VanDerWaalsContact O-N 3.1Å; Q236-V238 VanDerWaalsContact C-N 3.27Å; Q236-V238 PolarHBondContact O-N 3Å |
| 237 | G | 28.5 | Very low | 36.1 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 97% | 0.969 | 65% | 0.646 | S | S | * | * | trans | -58.2 | 76.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 238 | V | 29 | Very low | 37.2 | Very low | 114 Ų | 114 | 114.7 Ų | 114.7 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | trans | -113.6 | 116.5 | 165.6 | -179.2 | 0 | 0 | 0 | 0 | 106.3 | Q236 V240 | Q236-V238 VanDerWaalsContact C-N 3.27Å; Q236-V238 PolarHBondContact O-N 3Å; V238-V240 VanDerWaalsContact C-N 3.3Å; V238-V240 HydrophobicContact CG1-CG2 4.36Å; V238-V240 PolarHBondContact O-N 3.45Å | ||
| 239 | K | 26.9 | Very low | 38.3 | Very low | 207 Ų | 207 | 117 Ų | 117 | 90% | 0.9 | 64% | 0.636 | S | S | * | * | trans | -64.4 | 91.7 | 170.6 | -73.8 | -178.4 | 175.6 | -178.1 | 0 | 108.7 | ||||
| 240 | V | 29.5 | Very low | 39.8 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 67% | 0.667 | 64% | 0.642 | S | S | * | * | trans | -81.1 | 131.3 | 163.2 | -178.5 | 0 | 0 | 0 | 0 | 106.1 | V238 E242 | V238-V240 VanDerWaalsContact C-N 3.3Å; V238-V240 HydrophobicContact CG1-CG2 4.36Å; V238-V240 PolarHBondContact O-N 3.45Å; V240-E242 PolarHBondContact O-N 3.36Å | ||
| 241 | N | 31.7 | Very low | 41.3 | Very low | 145 Ų | 145 | 113.4 Ų | 113.4 | 78% | 0.775 | 61% | 0.614 | S | S | * | * | trans | -64.4 | 96.4 | 177.1 | -74.6 | -18.9 | 0 | 0 | 0 | 109.3 | S243 | N241-S243 PolarHBondContact O-N 2.8Š| ||
| 242 | E | 32.8 | Very low | 43.3 | Very low | 181 Ų | 181 | 113.2 Ų | 113.2 | 85% | 0.846 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 14.4 | -179 | -75.4 | 170.9 | 170.4 | 0 | 0 | 114.5 | V240 | V240-E242 PolarHBondContact O-N 3.36Š|
| 243 | S | 43.1 | Very low | 45.7 | Very low | 95 Ų | 95 | 110 Ų | 110 | 66% | 0.664 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -0.2 | -163.7 | 59.8 | 0 | 0 | 0 | 0 | 116.9 | N241 | N241-S243 PolarHBondContact O-N 2.8Š|
| 244 | E | 43.7 | Very low | 48 | Very low | 122 Ų | 122 | 110.9 Ų | 110.9 | 57% | 0.57 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -134.9 | 0.4 | -166.4 | -67.9 | -170.5 | 177.6 | 0 | 0 | 118.3 | P255 | E244-P255 WeakPolarHBondContact O-CD 3.45Å; E244-P255 WeakPolarHBondContact O-CG 3.04Å |
| 245 | T | 47.4 | Very low | 50.2 | Low | 91 Ų | 91 | 105.9 Ų | 105.9 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | trans | -140.6 | 93 | 176.7 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | A247 K254 | T245-A247 PolarHBondContact O-N 2.88Å; T245-A247 VanDerWaalsContact O-N 3.1Å; T245-K254 HydrophobicContact CG2-CG 4.29Å | ||
| 246 | E | 53.5 | Low | 52.1 | Low | 81 Ų | 81 | 97.8 Ų | 97.8 | 38% | 0.379 | 52% | 0.515 | S | S | . | . | trans | -70.3 | 98.4 | 165.1 | -68.9 | 178.9 | 170.7 | 0 | 0 | 107.8 | Y181 S184 | Y181-E246 HydrophobicContact CE2-CB 3.99Å; Y181-E246 WeakPolarHBondContact CE2-O 3.08Å; Y181-E246 WeakPolarHBondContact OH-CB 3.44Å; Y181-E246 PolarHBondContact OH-O 3.41Å; S184-E246 PolarHBondContact N-OE2 3.5Å; S184-E246 PolarHBondContact OG-OE1 3Å | ||
| 247 | A | 50 | Low | 54.7 | Low | 49 Ų | 49 | 91.9 Ų | 91.9 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | B | Isolated β-bridge | trans | -104 | 133.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | T245 | T245-A247 PolarHBondContact O-N 2.88Å; T245-A247 VanDerWaalsContact O-N 3.1Å |
| 248 | N | 60.5 | Low | 57.3 | Low | 65 Ų | 65 | 89.6 Ų | 89.6 | 35% | 0.348 | 47% | 0.465 | S | S | . | . | trans | -119.7 | 169.2 | 165 | -107.8 | -25.6 | 0 | 0 | 0 | 111.5 | F180 Y181 Y250 V251 | F180-N248 PolarHBondContact O-ND2 2.87Å; Y181-N248 HydrophobicContact CD2-CB 3.87Å; N248-Y250 PolarHBondContact O-N 3.43Å; N248-Y250 VanDerWaalsContact O-N 3.12Å; N248-V251 PolarHBondContact N-O 2.98Å; N248-V251 VanDerWaalsContact N-O 3.15Å | ||
| 249 | R | 60.2 | Low | 60 | Low | 177 Ų | 177 | 85 Ų | 85 | 67% | 0.668 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -59 | -26.2 | -176 | -165.5 | 170.9 | -176.6 | 155.2 | 1.3 | 113.8 | ||
| 250 | Y | 66 | Low | 62.7 | Low | 131 Ų | 131 | 81 Ų | 81 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -107.5 | -30.8 | -172.8 | -56 | -73.3 | 0 | 0 | 0 | 114 | F180 L219 N248 | F180-Y250 HydrophobicContact CD2-CD2 4.25Å; L219-Y250 PolarHBondContact N-O 2.95Å; N248-Y250 PolarHBondContact O-N 3.43Å; N248-Y250 VanDerWaalsContact O-N 3.12Å |
| 251 | V | 73.3 | Confident | 65.2 | Low | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 129.7 | -174.5 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | F180 L216 W218 N248 | F180-V251 HydrophobicContact CE2-CB 4.38Å; F180-V251 HydrophobicContact CE2-CG2 3.78Å; F180-V251 HydrophobicContact CZ-CG2 4.08Å; L216-V251 HydrophobicContact CD2-CG1 4.22Å; W218-V251 HydrophobicContact CD2-CG2 4.32Å; W218-V251 HydrophobicContact CE3-CG2 3.47Å; W218-V251 VanDerWaalsContact CE3-CG2 3.47Å; W218-V251 HydrophobicContact CH2-CG2 3.99Å; W218-V251 HydrophobicContact CZ3-CG2 3.27Å; N248-V251 PolarHBondContact N-O 2.98Å; N248-V251 VanDerWaalsContact N-O 3.15Å |
| 252 | R | 75.1 | Confident | 67.5 | Low | 74 Ų | 74 | 76 Ų | 76 | 28% | 0.279 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.7 | 169.1 | -175.4 | -171.7 | -66.1 | 161.3 | -12.6 | 108.3 | E217 L219 K254 | E217-R252 HydrophobicContact CB-CB 4.23Å; E217-R252 PolarHBondContact N-O 3.31Å; E217-R252 PolarHBondContact O-N 3.33Å; E217-R252 IonicContact OE2-CZ 3.75Å; E217-R252 IonicContact OE2-NH1 2.78Å; E217-R252 PolarHBondContact OE2-NH1 3.45Å; E217-R252 VanDerWaalsContact OE2-NH1 3.11Å; L219-R252 HydrophobicContact CD1-CB 4.41Å; R252-K254 VanDerWaalsContact CD-CE 3.46Å; R252-K254 HydrophobicContact CG-CG 4.41Å |
| 253 | C | 79.6 | Confident | 69.6 | Low | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.5 | 172.4 | -55.3 | 0 | 0 | 0 | 0 | 108.8 | Y181 L183 D215 L216 | Y181-C253 HydrophobicContact CE1-CB 4.26Å; Y181-C253 WeakPolarHBondContact CE1-SG 3.26Å; Y181-C253 VanDerWaalsContact OH-CB 3.25Å; Y181-C253 WeakPolarHBondContact OH-CB 3.46Å; Y181-C253 PolarHBondContact OH-SG 3.33Å; Y181-C253 VanDerWaalsContact OH-SG 3.36Å; L183-C253 HydrophobicContact CD1-CB 4.2Å; D215-C253 WeakPolarHBondContact O-CA 3.43Å; L216-C253 HydrophobicContact CD2-CB 4.11Å; L216-C253 WeakPolarHBondContact CD2-SG 3.41Å |
| 254 | K | 80.3 | Confident | 71.2 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 124.4 | 171.7 | -67.5 | 176.4 | -175.9 | 161.7 | 0 | 108.3 | Y214 D215 E217 T245 R252 F256 | Y214-K254 CarbonylContact C-O 3.57Å; Y214-K254 WeakPolarHBondContact CA-O 3.47Å; D215-K254 PolarHBondContact N-O 2.92Å; D215-K254 PolarHBondContact O-N 3.41Å; E217-K254 VanDerWaalsContact CD-NZ 3.34Å; E217-K254 IonicContact OE1-NZ 3.37Å; E217-K254 PolarHBondContact OE1-NZ 3.38Å; E217-K254 IonicContact OE2-NZ 3.49Å; E217-K254 PolarHBondContact OE2-NZ 3.13Å; T245-K254 HydrophobicContact CG2-CG 4.29Å; R252-K254 VanDerWaalsContact CD-CE 3.46Å; R252-K254 HydrophobicContact CG-CG 4.41Å; K254-F256 PolarHBondContact O-N 3.18Å; K254-F256 VanDerWaalsContact O-N 3.09Å |
| 255 | P | 79.6 | Confident | 73 | Confident | 61 Ų | 61 | 68 Ų | 68 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 115.2 | 170.6 | 26.6 | -31.5 | 0 | 0 | 0 | 108.3 | Y214 E244 | Y214-P255 HydrophobicContact CD1-CB 4.21Å; Y214-P255 HydrophobicContact CE1-CB 4.09Å; E244-P255 WeakPolarHBondContact O-CD 3.45Å; E244-P255 WeakPolarHBondContact O-CG 3.04Å |
| 256 | F | 76.7 | Confident | 74.8 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -35.1 | 179.3 | -172 | -105.9 | 0 | 0 | 0 | 110.7 | V213 D215 K254 G327 V330 R333 | V213-F256 HydrophobicContact CG1-CB 4.25Å; V213-F256 HydrophobicContact CG1-CD1 4.39Å; V213-F256 WeakPolarHBondContact O-CA 3.25Å; V213-F256 WeakPolarHBondContact O-CB 3.4Å; V213-F256 PolarHBondContact O-N 3.06Å; D215-F256 WeakPolarHBondContact OD2-CD2 3.28Å; K254-F256 PolarHBondContact O-N 3.18Å; K254-F256 VanDerWaalsContact O-N 3.09Å; F256-G327 WeakPolarHBondContact CZ-O 3.44Å; F256-V330 HydrophobicContact CD1-CB 4.49Å; F256-V330 HydrophobicContact CD1-CG1 4.32Å; F256-V330 HydrophobicContact CD1-CG2 3.95Å; F256-V330 HydrophobicContact CE1-CB 4.49Å; F256-V330 HydrophobicContact CE1-CG1 4.5Å; F256-V330 HydrophobicContact CE1-CG2 4.28Å; F256-R333 HydrophobicContact CE1-CG 4.26Å; F256-R333 HydrophobicContact CZ-CG 4.45Å; F256-R333 VanDerWaalsContact CZ-CZ 3.49Å |
| 257 | G | 82.2 | Confident | 76.5 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 32% | 0.32 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.1 | -163.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | V213 V330 | V213-G257 PolarHBondContact N-O 3.32Å; V213-G257 PolarHBondContact O-N 3.31Å; G257-V330 VanDerWaalsContact CA-CG2 3.46Å |
| 258 | S | 82.9 | Confident | 78.2 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 33% | 0.329 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.8 | -178.8 | 58.2 | 0 | 0 | 0 | 0 | 113 | L211 | L211-S258 CarbonylContact O-C 3.56Å; L211-S258 VanDerWaalsContact O-CA 3.23Å; L211-S258 WeakPolarHBondContact O-CA 3.49Å |
| 259 | V | 85.6 | Confident | 79.5 | Confident | 17 Ų | 17 | 63.1 Ų | 63.1 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 126.5 | 169.3 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | Q210 L211 V213 Y291 V330 | Q210-V259 CarbonylContact C-O 3.55Å; Q210-V259 WeakPolarHBondContact CA-O 2.95Å; L211-V259 HydrophobicContact CB-CB 4.27Å; L211-V259 PolarHBondContact N-O 3.24Å; L211-V259 PolarHBondContact O-N 3.45Å; V213-V259 HydrophobicContact CG2-CG2 4Å; V259-Y291 HydrophobicContact CG1-CD1 4.04Å; V259-Y291 HydrophobicContact CG1-CE1 3.43Å; V259-Y291 VanDerWaalsContact CG1-CE1 3.43Å; V259-V330 HydrophobicContact CG2-CB 4.08Å; V259-V330 HydrophobicContact CG2-CG1 3.29Å |
| 260 | F | 83.8 | Confident | 81 | Confident | 122 Ų | 122 | 54.7 Ų | 54.7 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 136.2 | 174.3 | -74.6 | -87.4 | 0 | 0 | 0 | 111.6 | Q210 Y291 | Q210-F260 HydrophobicContact CG-CD1 3.78Å; Q210-F260 HydrophobicContact CG-CE1 3.56Å; Q210-F260 HydrophobicContact CG-CG 4.41Å; Q210-F260 HydrophobicContact CG-CZ 4Å; F260-Y291 PolarHBondContact O-OH 2.95Å |
| 261 | R | 81.1 | Confident | 82.1 | Confident | 30 Ų | 30 | 51.1 Ų | 51.1 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -91.4 | 148.6 | 170.5 | 67.7 | -172 | 163.8 | 84.5 | -4.7 | 112.5 | S207 E208 S209 A263 G265 Y291 | S207-R261 PolarHBondContact O-NH2 3.45Å; E208-R261 PolarHBondContact O-NE 3.09Å; E208-R261 PolarHBondContact O-NH2 3.23Å; S209-R261 VanDerWaalsContact CA-NE 3.33Å; S209-R261 WeakPolarHBondContact O-CG 3.15Å; S209-R261 PolarHBondContact O-N 3.22Å; R261-A263 WeakPolarHBondContact CG-O 3.25Å; R261-A263 PolarHBondContact NH1-O 2.81Å; R261-G265 VanDerWaalsContact NH1-N 3.15Å; R261-G265 PolarHBondContact NH1-O 2.78Å; R261-G265 PolarHBondContact NH2-O 3.24Å; R261-Y291 VanDerWaalsContact CA-OH 3.26Å; R261-Y291 WeakPolarHBondContact CA-OH 3.41Å |
| 262 | H | 79.9 | Confident | 82.9 | Confident | 121 Ų | 121 | 52 Ų | 52 | 56% | 0.56 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -90 | -37 | 176.7 | -71 | 77.9 | 0 | 0 | 0 | 110.3 | D289 H336 | H262-D289 PolarHBondContact N-OD2 2.96Å; H262-H336 AromaticContact CE1-CG 3.89Å; H262-H336 AromaticContact ND1-CD2 3.55Å; H262-H336 AromaticContact ND1-CG 3.83Å; H262-H336 AromaticContact ND1-NE2 3.67Å |
| 263 | A | 77.4 | Confident | 83.5 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -65.4 | 135 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R261 F287 D289 | R261-A263 WeakPolarHBondContact CG-O 3.25Å; R261-A263 PolarHBondContact NH1-O 2.81Å; A263-F287 HydrophobicContact CB-CB 3.98Å; A263-D289 PolarHBondContact N-OD2 2.78Å |
| 264 | K | 77 | Confident | 83.6 | Confident | 189 Ų | 189 | 51.5 Ų | 51.5 | 82% | 0.822 | 27% | 0.271 | S | S | * | . | trans | -89.8 | 151.3 | 174.8 | -65 | -179.6 | -179.5 | 177.8 | 0 | 111 | ||||
| 265 | G | 80.4 | Confident | 83.6 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 101.9 | 168.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R261 | R261-G265 VanDerWaalsContact NH1-N 3.15Å; R261-G265 PolarHBondContact NH1-O 2.78Å; R261-G265 PolarHBondContact NH2-O 3.24Å |
| 266 | R | 85.9 | Confident | 83.6 | Confident | 123 Ų | 123 | 49.4 Ų | 49.4 | 46% | 0.464 | 26% | 0.262 | S | S | . | . | trans | -62.4 | 150.5 | -174.9 | 69.9 | -176.9 | -176.3 | -165.2 | -5.6 | 112.5 | S283 T284 | R266-S283 WeakPolarHBondContact O-CA 3.35Å; R266-T284 HydrophobicContact CG-CG2 3.44Å; R266-T284 VanDerWaalsContact CG-CG2 3.44Å; R266-T284 VanDerWaalsContact NE-CG2 3.27Å; R266-T284 PolarHBondContact O-N 3.17Å; R266-T284 VanDerWaalsContact O-N 3.16Å | ||
| 267 | V | 88.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.8 | 170.2 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | W191 T206 L211 L270 | W191-V267 WeakPolarHBondContact CB-O 3.49Å; T206-V267 WeakPolarHBondContact O-CG2 3.5Å; L211-V267 HydrophobicContact CD2-CG2 3.98Å; V267-L270 HydrophobicContact CG1-CB 4.44Å |
| 268 | A | 86 | Confident | 84.2 | Confident | 31 Ų | 31 | 50 Ų | 50 | 26% | 0.256 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -54.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | S282 T284 F346 | A268-S282 PolarHBondContact N-O 2.81Å; A268-T284 HydrophobicContact CB-CG2 4.36Å; A268-F346 HydrophobicContact CB-CD1 3.76Å; A268-F346 HydrophobicContact CB-CE1 3.87Å |
| 269 | N | 89.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.9 | 174.5 | -167.4 | 11.3 | 0 | 0 | 0 | 110.1 | K150 S192 E271 S282 F346 F349 | K150-N269 PolarHBondContact NZ-OD1 2.94Å; S192-N269 PolarHBondContact OG-OD1 3.1Å; N269-E271 PolarHBondContact ND2-OE2 3.47Å; N269-S282 WeakPolarHBondContact CA-OG 3.42Å; N269-S282 WeakPolarHBondContact CB-OG 3.19Å; N269-S282 PolarHBondContact N-OG 2.64Å; N269-S282 PolarHBondContact O-N 2.66Å; N269-S282 PolarHBondContact O-OG 3.25Å; N269-F346 HydrophobicContact CB-CE1 4.1Å; N269-F346 HydrophobicContact CB-CZ 4.3Å; N269-F349 HydrophobicContact CB-CE1 4.22Å; N269-F349 HydrophobicContact CB-CZ 4.4Å |
| 270 | L | 90.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 121.2 | 177.1 | -173 | 111.4 | 0 | 0 | 0 | 108.2 | K150 S192 S194 I203 L211 V267 L279 F280 C281 | K150-L270 PolarHBondContact NZ-O 2.77Å; S192-L270 WeakPolarHBondContact OG-CB 3.43Å; S192-L270 PolarHBondContact OG-N 2.73Å; S192-L270 PolarHBondContact OG-O 3.16Å; S194-L270 VanDerWaalsContact CB-CD2 3.49Å; S194-L270 WeakPolarHBondContact CB-O 3.25Å; I203-L270 HydrophobicContact CB-CD2 3.79Å; I203-L270 HydrophobicContact CG2-CD1 4.24Å; I203-L270 HydrophobicContact CG2-CD2 3.67Å; I203-L270 WeakPolarHBondContact O-CD2 3.44Å; L211-L270 HydrophobicContact CD1-CD1 3.84Å; L211-L270 HydrophobicContact CD2-CD1 3.83Å; L211-L270 HydrophobicContact CG-CD1 4.46Å; V267-L270 HydrophobicContact CG1-CB 4.44Å; L270-L279 HydrophobicContact CD1-CD1 4.25Å; L270-L279 HydrophobicContact CD2-CD1 4.1Å; L270-L279 HydrophobicContact CG-CD1 3.9Å; L270-F280 WeakPolarHBondContact CA-O 3.48Å; L270-C281 HydrophobicContact CD1-CB 4.03Å |
| 271 | E | 89.2 | Confident | 85.1 | Confident | 56 Ų | 56 | 41.6 Ų | 41.6 | 26% | 0.262 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 147.6 | -173 | -160.8 | 166.9 | 175.7 | 0 | 0 | 111.8 | N269 F280 F349 F351 | N269-E271 PolarHBondContact ND2-OE2 3.47Å; E271-F280 PolarHBondContact N-O 3.43Å; E271-F280 VanDerWaalsContact N-O 3.12Å; E271-F280 PolarHBondContact O-N 2.8Å; E271-F349 HydrophobicContact CB-CE2 3.66Å; E271-F349 HydrophobicContact CB-CZ 3.8Å; E271-F349 HydrophobicContact CG-CE2 4.43Å; E271-F351 HydrophobicContact CB-CE2 3.91Å; E271-F351 HydrophobicContact CG-CD2 4.43Å; E271-F351 HydrophobicContact CG-CE2 3.83Å |
| 272 | F | 89.1 | Confident | 85.5 | Confident | 17 Ų | 17 | 40.1 Ų | 40.1 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 148.8 | 174.7 | -84 | -83.3 | 0 | 0 | 0 | 110.2 | S194 F195 C196 I203 L278 L279 A293 Y334 | S194-F272 VanDerWaalsContact OG-CD2 3.23Å; S194-F272 WeakPolarHBondContact OG-CD2 3.41Å; S194-F272 PolarHBondContact OG-N 3.17Å; F195-F272 WeakPolarHBondContact O-CD2 3Å; F195-F272 WeakPolarHBondContact O-CE2 3.27Å; C196-F272 HydrophobicContact CB-CE2 4.29Å; C196-F272 HydrophobicContact CB-CZ 4.15Å; I203-F272 HydrophobicContact CD1-CE2 3.94Å; I203-F272 HydrophobicContact CD1-CZ 3.68Å; F272-L278 CarbonylContact C-O 3.46Å; F272-L278 WeakPolarHBondContact CA-O 3.23Å; F272-L278 WeakPolarHBondContact CD1-O 3.42Å; F272-L279 HydrophobicContact CD1-CB 4.02Å; F272-L279 HydrophobicContact CD1-CD1 4.34Å; F272-L279 HydrophobicContact CD2-CD1 3.99Å; F272-L279 HydrophobicContact CE1-CB 3.75Å; F272-L279 HydrophobicContact CE1-CD1 4.18Å; F272-L279 HydrophobicContact CE1-CG 4.49Å; F272-L279 HydrophobicContact CE2-CD1 3.79Å; F272-L279 HydrophobicContact CG-CD1 4.25Å; F272-L279 HydrophobicContact CZ-CB 4.17Å; F272-L279 HydrophobicContact CZ-CD1 3.9Å; F272-L279 HydrophobicContact CZ-CG 4.45Å; F272-A293 HydrophobicContact CE1-CB 3.78Å; F272-Y334 HydrophobicContact CE1-CE1 4.26Å; F272-Y334 AromaticContact CZ-CE1 3.97Å; F272-Y334 HydrophobicContact CZ-CE1 3.97Å |
| 273 | S | 87.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.028 | 19% | 0.187 | C | C | . | . | trans | -58.1 | 153.5 | 164.4 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | D275 G276 T277 L278 | S273-D275 PolarHBondContact O-N 2.9Å; S273-G276 WeakPolarHBondContact O-CA 3.04Å; S273-G276 PolarHBondContact O-N 3.37Å; S273-T277 PolarHBondContact OG-N 2.96Å; S273-T277 PolarHBondContact OG-OG1 2.92Å; S273-L278 PolarHBondContact N-O 2.61Å; S273-L278 PolarHBondContact OG-N 3.35Å; S273-L278 PolarHBondContact OG-O 3.16Å | ||
| 274 | P | 82.4 | Confident | 86.2 | Confident | 64 Ų | 64 | 36.6 Ų | 36.6 | 42% | 0.416 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -26.7 | 176.7 | -27.5 | 35.6 | 0 | 0 | 0 | 113.7 | K197 G276 F351 T353 | K197-P274 PolarHBondContact NZ-O 2.72Å; P274-G276 VanDerWaalsContact C-N 3.33Å; P274-F351 HydrophobicContact CG-CB 4Å; P274-T353 HydrophobicContact CB-CG2 4.04Å; P274-T353 HydrophobicContact CG-CG2 4.13Å |
| 275 | D | 79.9 | Confident | 86.6 | Confident | 78 Ų | 78 | 28.6 Ų | 28.6 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -18.6 | 176.8 | -60.2 | -32.6 | 0 | 0 | 0 | 113.3 | K197 S273 T277 | K197-D275 VanDerWaalsContact CD-O 3.3Å; K197-D275 WeakPolarHBondContact CD-O 3.47Å; K197-D275 PolarHBondContact NZ-O 3.15Å; S273-D275 PolarHBondContact O-N 2.9Å; D275-T277 VanDerWaalsContact C-N 3.28Å; D275-T277 HydrophobicContact CB-CG2 4.23Å |
| 276 | G | 80 | Confident | 87 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 12% | 0.124 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 77.9 | 9.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S273 P274 | S273-G276 WeakPolarHBondContact O-CA 3.04Å; S273-G276 PolarHBondContact O-N 3.37Å; P274-G276 VanDerWaalsContact C-N 3.33Å |
| 277 | T | 84 | Confident | 87.2 | Confident | 64 Ų | 64 | 29.2 Ų | 29.2 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -91.6 | -29.9 | -174.3 | 53.8 | 0 | 0 | 0 | 0 | 113 | S273 D275 A293 | S273-T277 PolarHBondContact OG-N 2.96Å; S273-T277 PolarHBondContact OG-OG1 2.92Å; D275-T277 VanDerWaalsContact C-N 3.28Å; D275-T277 HydrophobicContact CB-CG2 4.23Å; T277-A293 PolarHBondContact O-N 3.01Å |
| 278 | L | 88.4 | Confident | 87.2 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.3 | -178.1 | -62 | 176.1 | 0 | 0 | 0 | 109.3 | F272 S273 F280 V290 Y291 L337 L359 T377 | F272-L278 CarbonylContact C-O 3.46Å; F272-L278 WeakPolarHBondContact CA-O 3.23Å; F272-L278 WeakPolarHBondContact CD1-O 3.42Å; S273-L278 PolarHBondContact N-O 2.61Å; S273-L278 PolarHBondContact OG-N 3.35Å; S273-L278 PolarHBondContact OG-O 3.16Å; L278-F280 HydrophobicContact CB-CD2 4.36Å; L278-F280 HydrophobicContact CB-CE2 3.77Å; L278-F280 HydrophobicContact CD1-CE2 4.28Å; L278-F280 HydrophobicContact CD1-CZ 4.4Å; L278-V290 HydrophobicContact CD2-CG1 4.35Å; L278-Y291 CarbonylContact C-O 3.55Å; L278-Y291 WeakPolarHBondContact CA-O 3.35Å; L278-L337 HydrophobicContact CD2-CD1 3.38Å; L278-L359 HydrophobicContact CD1-CD2 4.36Å; L278-T377 HydrophobicContact CD1-CG2 4.09Å; L278-T377 HydrophobicContact CD2-CG2 4.49Å |
| 279 | L | 89.5 | Confident | 87.4 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.4 | 173 | 170.1 | 73.6 | 0 | 0 | 0 | 107.6 | I203 L270 F272 Y291 Y334 | I203-L279 HydrophobicContact CD1-CD1 4.17Å; I203-L279 HydrophobicContact CD1-CD2 3.44Å; I203-L279 VanDerWaalsContact CD1-CD2 3.44Å; I203-L279 HydrophobicContact CD1-CG 4.41Å; L270-L279 HydrophobicContact CD1-CD1 4.25Å; L270-L279 HydrophobicContact CD2-CD1 4.1Å; L270-L279 HydrophobicContact CG-CD1 3.9Å; F272-L279 HydrophobicContact CD1-CB 4.02Å; F272-L279 HydrophobicContact CD1-CD1 4.34Å; F272-L279 HydrophobicContact CD2-CD1 3.99Å; F272-L279 HydrophobicContact CE1-CB 3.75Å; F272-L279 HydrophobicContact CE1-CD1 4.18Å; F272-L279 HydrophobicContact CE1-CG 4.49Å; F272-L279 HydrophobicContact CE2-CD1 3.79Å; F272-L279 HydrophobicContact CG-CD1 4.25Å; F272-L279 HydrophobicContact CZ-CB 4.17Å; F272-L279 HydrophobicContact CZ-CD1 3.9Å; F272-L279 HydrophobicContact CZ-CG 4.45Å; L279-Y291 HydrophobicContact CD2-CD2 4.37Å; L279-Y291 PolarHBondContact N-O 2.95Å; L279-Y291 PolarHBondContact O-N 2.71Å; L279-Y334 HydrophobicContact CD2-CD1 4.31Å; L279-Y334 HydrophobicContact CD2-CE1 4.42Å |
| 280 | F | 90.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 123 | 174.7 | -70.4 | -101.1 | 0 | 0 | 0 | 108.8 | L270 E271 L278 I288 V290 F349 F351 L359 V361 F385 | L270-F280 WeakPolarHBondContact CA-O 3.48Å; E271-F280 PolarHBondContact N-O 3.43Å; E271-F280 VanDerWaalsContact N-O 3.12Å; E271-F280 PolarHBondContact O-N 2.8Å; L278-F280 HydrophobicContact CB-CD2 4.36Å; L278-F280 HydrophobicContact CB-CE2 3.77Å; L278-F280 HydrophobicContact CD1-CE2 4.28Å; L278-F280 HydrophobicContact CD1-CZ 4.4Å; F280-I288 HydrophobicContact CB-CG2 4.24Å; F280-I288 HydrophobicContact CD1-CG2 3.82Å; F280-V290 HydrophobicContact CD1-CG1 4.42Å; F280-V290 HydrophobicContact CD1-CG2 3.64Å; F280-V290 HydrophobicContact CE1-CB 4.4Å; F280-V290 HydrophobicContact CE1-CG1 4.04Å; F280-V290 HydrophobicContact CE1-CG2 3.48Å; F280-V290 VanDerWaalsContact CE1-CG2 3.48Å; F280-V290 HydrophobicContact CE2-CG1 4.41Å; F280-V290 HydrophobicContact CZ-CG1 4.03Å; F280-V290 HydrophobicContact CZ-CG2 4.29Å; F280-F349 HydrophobicContact CB-CE1 4.28Å; F280-F349 HydrophobicContact CB-CE2 4.41Å; F280-F349 HydrophobicContact CB-CZ 3.9Å; F280-F351 HydrophobicContact CB-CE1 4.49Å; F280-F351 HydrophobicContact CB-CZ 3.88Å; F280-F351 HydrophobicContact CD1-CE1 4.26Å; F280-F351 HydrophobicContact CD1-CZ 4.47Å; F280-F351 AromaticContact CD2-CE1 3.44Å; F280-F351 HydrophobicContact CD2-CE1 3.44Å; F280-F351 VanDerWaalsContact CD2-CE1 3.44Å; F280-F351 HydrophobicContact CD2-CE2 4.46Å; F280-F351 AromaticContact CD2-CZ 3.35Å; F280-F351 HydrophobicContact CD2-CZ 3.35Å; F280-F351 HydrophobicContact CE1-CE1 4.39Å; F280-F351 HydrophobicContact CE2-CD1 4.48Å; F280-F351 AromaticContact CE2-CE1 3.6Å; F280-F351 HydrophobicContact CE2-CE1 3.6Å; F280-F351 AromaticContact CE2-CZ 4Å; F280-F351 HydrophobicContact CE2-CZ 4Å; F280-F351 AromaticContact CG-CE1 3.81Å; F280-F351 HydrophobicContact CG-CE1 3.81Å; F280-F351 AromaticContact CG-CZ 3.65Å; F280-F351 HydrophobicContact CG-CZ 3.65Å; F280-F351 HydrophobicContact CZ-CE1 4.09Å; F280-L359 HydrophobicContact CE2-CD2 3.56Å; F280-L359 HydrophobicContact CZ-CD2 3.57Å; F280-V361 HydrophobicContact CE1-CG2 4.02Å; F280-V361 HydrophobicContact CZ-CG2 3.96Å; F280-F385 HydrophobicContact CE1-CE1 4.03Å; F280-F385 HydrophobicContact CE1-CZ 4.22Å; F280-F385 HydrophobicContact CZ-CE1 4.38Å; F280-F385 HydrophobicContact CZ-CZ 4.44Å |
| 281 | C | 90.1 | Very high | 87.4 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 111.7 | 173 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | L211 L270 D289 Y291 | L211-C281 HydrophobicContact CD1-CB 4.22Å; L270-C281 HydrophobicContact CD1-CB 4.03Å; C281-D289 HydrophobicContact CB-CB 4.41Å; C281-D289 PolarHBondContact N-O 2.83Å; C281-D289 PolarHBondContact O-N 2.9Å; C281-Y291 HydrophobicContact CB-CD2 4.32Å; C281-Y291 HydrophobicContact CB-CE2 3.92Å |
| 282 | S | 89.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 137.5 | 176.8 | 60.1 | 0 | 0 | 0 | 0 | 111 | A268 N269 F346 | A268-S282 PolarHBondContact N-O 2.81Å; N269-S282 WeakPolarHBondContact CA-OG 3.42Å; N269-S282 WeakPolarHBondContact CB-OG 3.19Å; N269-S282 PolarHBondContact N-OG 2.64Å; N269-S282 PolarHBondContact O-N 2.66Å; N269-S282 PolarHBondContact O-OG 3.25Å; S282-F346 VanDerWaalsContact CB-CD1 3.41Å; S282-F346 WeakPolarHBondContact OG-CD1 3.26Å; S282-F346 WeakPolarHBondContact OG-CE1 3.49Å |
| 283 | S | 86.7 | Confident | 87.2 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 163.9 | 169.3 | 67.3 | 0 | 0 | 0 | 0 | 109.8 | R266 G285 F287 | R266-S283 WeakPolarHBondContact O-CA 3.35Å; S283-G285 PolarHBondContact O-N 3.41Å; S283-G285 PolarHBondContact OG-N 2.7Å; S283-F287 PolarHBondContact N-O 3.48Å; S283-F287 PolarHBondContact OG-O 3.41Å |
| 284 | T | 84.7 | Confident | 87 | Confident | 48 Ų | 48 | 28 Ų | 28 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -64.5 | -4.2 | 168.4 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | R266 A268 | R266-T284 HydrophobicContact CG-CG2 3.44Å; R266-T284 VanDerWaalsContact CG-CG2 3.44Å; R266-T284 VanDerWaalsContact NE-CG2 3.27Å; R266-T284 PolarHBondContact O-N 3.17Å; R266-T284 VanDerWaalsContact O-N 3.16Å; A268-T284 HydrophobicContact CB-CG2 4.36Å |
| 285 | G | 87.1 | Confident | 87 | Confident | 21 Ų | 21 | 27.3 Ų | 27.3 | 22% | 0.216 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -81 | -157.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S283 F287 K345 F346 | S283-G285 PolarHBondContact O-N 3.41Å; S283-G285 PolarHBondContact OG-N 2.7Å; G285-F287 VanDerWaalsContact C-N 3.3Å; G285-K345 WeakPolarHBondContact O-CA 3.41Å; G285-F346 PolarHBondContact O-N 3.28Å |
| 286 | K | 88.7 | Confident | 86.9 | Confident | 96 Ų | 96 | 28.1 Ų | 28.1 | 42% | 0.417 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -92.7 | 10.5 | 176.3 | -56.7 | -164.8 | 176.9 | -163 | 0 | 112.9 | L342 S343 | K286-L342 WeakPolarHBondContact O-CA 3.42Å; K286-L342 VanDerWaalsContact O-CB 3.27Å; K286-L342 WeakPolarHBondContact O-CB 3.48Å; K286-L342 PolarHBondContact O-N 2.74Å; K286-S343 PolarHBondContact NZ-O 3.13Å |
| 287 | F | 88.8 | Confident | 86.9 | Confident | 77 Ų | 77 | 33.7 Ų | 33.7 | 34% | 0.338 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.8 | -168.9 | -59.5 | -67 | 0 | 0 | 0 | 111.1 | A263 S283 G285 Q339 C340 N341 | A263-F287 HydrophobicContact CB-CB 3.98Å; S283-F287 PolarHBondContact N-O 3.48Å; S283-F287 PolarHBondContact OG-O 3.41Å; G285-F287 VanDerWaalsContact C-N 3.3Å; F287-Q339 HydrophobicContact CB-CG 3.76Å; F287-Q339 VanDerWaalsContact CB-NE2 3.26Å; F287-Q339 HydrophobicContact CD1-CG 3.73Å; F287-Q339 HydrophobicContact CG-CG 4.04Å; F287-C340 WeakPolarHBondContact CA-O 3.39Å; F287-N341 HydrophobicContact CD1-CB 4.36Å; F287-N341 HydrophobicContact CE1-CB 4.21Å; F287-N341 WeakPolarHBondContact CE1-OD1 3.47Å |
| 288 | I | 89.2 | Confident | 86.7 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 119 | 167 | -58.1 | 175.1 | 0 | 0 | 0 | 107.5 | F280 Q339 C340 L342 F346 F349 V363 | F280-I288 HydrophobicContact CB-CG2 4.24Å; F280-I288 HydrophobicContact CD1-CG2 3.82Å; I288-Q339 CarbonylContact O-C 3.49Å; I288-Q339 WeakPolarHBondContact O-CA 3.45Å; I288-C340 HydrophobicContact CB-CB 4.3Å; I288-C340 PolarHBondContact N-O 3.44Å; I288-C340 VanDerWaalsContact N-O 3.1Å; I288-C340 PolarHBondContact O-N 2.86Å; I288-L342 HydrophobicContact CD1-CD1 3.83Å; I288-L342 HydrophobicContact CD1-CD2 4.11Å; I288-L342 HydrophobicContact CD1-CG 4.25Å; I288-L342 HydrophobicContact CG1-CD1 3.85Å; I288-L342 HydrophobicContact CG1-CG 4.33Å; I288-F346 HydrophobicContact CD1-CD2 4.03Å; I288-F346 HydrophobicContact CD1-CE2 4.28Å; I288-F346 HydrophobicContact CG1-CD2 4.39Å; I288-F349 HydrophobicContact CD1-CD1 4.33Å; I288-V363 HydrophobicContact CD1-CG1 4.44Å; I288-V363 HydrophobicContact CD1-CG2 4.09Å |
| 289 | D | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.6 | 175.2 | -68.8 | -6.4 | 0 | 0 | 0 | 108.5 | H262 A263 C281 Y291 Q339 | H262-D289 PolarHBondContact N-OD2 2.96Å; A263-D289 PolarHBondContact N-OD2 2.78Å; C281-D289 HydrophobicContact CB-CB 4.41Å; C281-D289 PolarHBondContact N-O 2.83Å; C281-D289 PolarHBondContact O-N 2.9Å; D289-Y291 HydrophobicContact CB-CE2 3.75Å; D289-Q339 WeakPolarHBondContact OD1-CG 3.38Å; D289-Q339 PolarHBondContact OD1-NE2 2.9Å |
| 290 | V | 90.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.4 | -179.4 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | L278 F280 L337 C338 F385 | L278-V290 HydrophobicContact CD2-CG1 4.35Å; F280-V290 HydrophobicContact CD1-CG1 4.42Å; F280-V290 HydrophobicContact CD1-CG2 3.64Å; F280-V290 HydrophobicContact CE1-CB 4.4Å; F280-V290 HydrophobicContact CE1-CG1 4.04Å; F280-V290 HydrophobicContact CE1-CG2 3.48Å; F280-V290 VanDerWaalsContact CE1-CG2 3.48Å; F280-V290 HydrophobicContact CE2-CG1 4.41Å; F280-V290 HydrophobicContact CZ-CG1 4.03Å; F280-V290 HydrophobicContact CZ-CG2 4.29Å; V290-L337 HydrophobicContact CG1-CD1 4.2Å; V290-L337 WeakPolarHBondContact O-CB 3.47Å; V290-L337 PolarHBondContact O-N 3.36Å; V290-C338 PolarHBondContact N-O 2.83Å; V290-F385 HydrophobicContact CB-CZ 4.39Å; V290-F385 HydrophobicContact CG1-CZ 4.28Å; V290-F385 HydrophobicContact CG2-CE1 4.4Å; V290-F385 HydrophobicContact CG2-CE2 4.37Å; V290-F385 HydrophobicContact CG2-CZ 3.76Å |
| 291 | Y | 89.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 141.5 | 177.6 | -63.1 | -93.1 | 0 | 0 | 0 | 110.2 | L211 V259 F260 R261 L278 L279 C281 D289 A335 H336 | L211-Y291 HydrophobicContact CD1-CE2 4.34Å; V259-Y291 HydrophobicContact CG1-CD1 4.04Å; V259-Y291 HydrophobicContact CG1-CE1 3.43Å; V259-Y291 VanDerWaalsContact CG1-CE1 3.43Å; F260-Y291 PolarHBondContact O-OH 2.95Å; R261-Y291 VanDerWaalsContact CA-OH 3.26Å; R261-Y291 WeakPolarHBondContact CA-OH 3.41Å; L278-Y291 CarbonylContact C-O 3.55Å; L278-Y291 WeakPolarHBondContact CA-O 3.35Å; L279-Y291 HydrophobicContact CD2-CD2 4.37Å; L279-Y291 PolarHBondContact N-O 2.95Å; L279-Y291 PolarHBondContact O-N 2.71Å; C281-Y291 HydrophobicContact CB-CD2 4.32Å; C281-Y291 HydrophobicContact CB-CE2 3.92Å; D289-Y291 HydrophobicContact CB-CE2 3.75Å; Y291-A335 CarbonylContact C-O 3.58Å; Y291-A335 VanDerWaalsContact CA-O 3.31Å; Y291-A335 WeakPolarHBondContact CA-O 3.22Å; Y291-H336 HydrophobicContact CD1-CB 4.01Å; Y291-H336 HydrophobicContact CE1-CB 3.85Å |
| 292 | R | 87.5 | Confident | 85 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 126.1 | 167 | -166.4 | 158.1 | 167.8 | -179.9 | -3.8 | 109.6 | Y294 E298 Y334 A335 L337 | R292-Y294 HydrophobicContact CB-CE1 4.28Å; R292-Y294 HydrophobicContact CB-CE2 4.43Å; R292-Y294 VanDerWaalsContact CD-CE1 3.42Å; R292-Y294 HydrophobicContact CG-CD1 4.14Å; R292-Y294 HydrophobicContact CG-CE1 3.66Å; R292-Y294 VanDerWaalsContact NE-CE1 3.31Å; R292-E298 IonicContact NH2-OE2 2.83Å; R292-Y334 WeakPolarHBondContact O-CA 3.48Å; R292-A335 PolarHBondContact N-O 3.24Å; R292-A335 PolarHBondContact O-N 3.32Å; R292-A335 VanDerWaalsContact O-N 3.1Å; R292-L337 HydrophobicContact CB-CD1 3.6Å; R292-L337 HydrophobicContact CB-CD2 4.32Å; R292-L337 HydrophobicContact CB-CG 3.89Å; R292-L337 HydrophobicContact CG-CD1 4.43Å |
| 293 | A | 87.3 | Confident | 84.5 | Confident | 11 Ų | 11 | 46.6 Ų | 46.6 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 118.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | F272 T277 Y334 | F272-A293 HydrophobicContact CE1-CB 3.78Å; T277-A293 PolarHBondContact O-N 3.01Å; A293-Y334 HydrophobicContact CB-CD1 4.03Å; A293-Y334 HydrophobicContact CB-CE1 3.65Å |
| 294 | Y | 84 | Confident | 84.3 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -86 | 140.3 | 176.9 | -64.8 | -63.3 | 0 | 0 | 0 | 110.9 | R292 E298 R302 R333 A335 | R292-Y294 HydrophobicContact CB-CE1 4.28Å; R292-Y294 HydrophobicContact CB-CE2 4.43Å; R292-Y294 VanDerWaalsContact CD-CE1 3.42Å; R292-Y294 HydrophobicContact CG-CD1 4.14Å; R292-Y294 HydrophobicContact CG-CE1 3.66Å; R292-Y294 VanDerWaalsContact NE-CE1 3.31Å; Y294-E298 HydrophobicContact CD1-CB 4.46Å; Y294-E298 VanDerWaalsContact CD1-OE2 3.26Å; Y294-E298 WeakPolarHBondContact CD1-OE2 3.29Å; Y294-R302 PolarHBondContact OH-NH2 2.84Å; Y294-R333 WeakPolarHBondContact CD2-O 3.29Å; Y294-R333 PolarHBondContact N-O 2.74Å; Y294-A335 HydrophobicContact CE2-CB 3.6Å |
| 295 | S | 80.8 | Confident | 84.2 | Confident | 49 Ų | 49 | 59.2 Ų | 59.2 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 156 | 171.1 | 75.6 | 0 | 0 | 0 | 0 | 110.3 | D297 E298 A299 | S295-D297 PolarHBondContact O-N 3.45Å; S295-D297 VanDerWaalsContact O-N 3.15Å; S295-E298 PolarHBondContact O-N 3.18Å; S295-E298 VanDerWaalsContact O-N 3.13Å; S295-E298 WeakPolarHBondContact OG-CG 3.46Å; S295-E298 PolarHBondContact OG-N 3.4Å; S295-A299 WeakPolarHBondContact O-CB 3.4Å; S295-A299 PolarHBondContact O-N 2.82Å |
| 296 | P | 78.7 | Confident | 83.9 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -56.6 | -33.1 | -179.9 | 21.7 | -33.4 | 0 | 0 | 0 | 112.7 | A300 | P296-A300 WeakPolarHBondContact O-CB 3.32Å; P296-A300 PolarHBondContact O-N 3.11Å |
| 297 | D | 79.2 | Confident | 83.5 | Confident | 129 Ų | 129 | 58.4 Ų | 58.4 | 69% | 0.69 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -70.7 | -44.5 | 178.2 | -64.1 | -27.7 | 0 | 0 | 0 | 111.8 | S295 A300 V301 | S295-D297 PolarHBondContact O-N 3.45Å; S295-D297 VanDerWaalsContact O-N 3.15Å; D297-A300 PolarHBondContact O-N 3.25Å; D297-V301 WeakPolarHBondContact O-CG2 3.37Å; D297-V301 PolarHBondContact O-N 3.17Å |
| 298 | E | 80.3 | Confident | 83.2 | Confident | 82 Ų | 82 | 61.7 Ų | 61.7 | 38% | 0.383 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 175.8 | -72.3 | -177.1 | -173.4 | 0 | 0 | 111.8 | R292 Y294 S295 A300 V301 R302 | R292-E298 IonicContact NH2-OE2 2.83Å; Y294-E298 HydrophobicContact CD1-CB 4.46Å; Y294-E298 VanDerWaalsContact CD1-OE2 3.26Å; Y294-E298 WeakPolarHBondContact CD1-OE2 3.29Å; S295-E298 PolarHBondContact O-N 3.18Å; S295-E298 VanDerWaalsContact O-N 3.13Å; S295-E298 WeakPolarHBondContact OG-CG 3.46Å; S295-E298 PolarHBondContact OG-N 3.4Å; E298-A300 VanDerWaalsContact C-N 3.33Å; E298-A300 PolarHBondContact O-N 3.26Å; E298-V301 PolarHBondContact O-N 2.9Å; E298-R302 PolarHBondContact O-N 3.34Å |
| 299 | A | 78.9 | Confident | 82.8 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 5% | 0.05 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S295 V301 R302 L303 V332 R333 | S295-A299 WeakPolarHBondContact O-CB 3.4Å; S295-A299 PolarHBondContact O-N 2.82Å; A299-V301 VanDerWaalsContact C-N 3.33Å; A299-V301 PolarHBondContact O-N 2.99Å; A299-R302 PolarHBondContact O-N 3.35Å; A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 PolarHBondContact O-N 3.13Å; A299-V332 HydrophobicContact CB-CG1 4.3Å; A299-V332 VanDerWaalsContact O-CG1 3.23Å; A299-V332 WeakPolarHBondContact O-CG1 3.33Å; A299-R333 HydrophobicContact CB-CG 4.06Å |
| 300 | A | 81.3 | Confident | 82.1 | Confident | 40 Ų | 40 | 66.7 Ų | 66.7 | 33% | 0.331 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P296 D297 E298 R304 | P296-A300 WeakPolarHBondContact O-CB 3.32Å; P296-A300 PolarHBondContact O-N 3.11Å; D297-A300 PolarHBondContact O-N 3.25Å; E298-A300 VanDerWaalsContact C-N 3.33Å; E298-A300 PolarHBondContact O-N 3.26Å; A300-R304 VanDerWaalsContact O-CG 3.29Å; A300-R304 WeakPolarHBondContact O-CG 3.46Å; A300-R304 PolarHBondContact O-N 3.4Å |
| 301 | V | 83.8 | Confident | 81.4 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 174.3 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | D297 E298 A299 R304 K305 | D297-V301 WeakPolarHBondContact O-CG2 3.37Å; D297-V301 PolarHBondContact O-N 3.17Å; E298-V301 PolarHBondContact O-N 2.9Å; A299-V301 VanDerWaalsContact C-N 3.33Å; A299-V301 PolarHBondContact O-N 2.99Å; V301-R304 PolarHBondContact O-N 3.3Å; V301-K305 WeakPolarHBondContact O-CG 3.39Å; V301-K305 PolarHBondContact O-N 2.85Å |
| 302 | R | 79.4 | Confident | 80.9 | Confident | 94 Ų | 94 | 80 Ų | 80 | 36% | 0.355 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.6 | -80.7 | -170.4 | 154 | 84 | 1.6 | 112.5 | Y294 E298 A299 R304 K305 K306 V332 | Y294-R302 PolarHBondContact OH-NH2 2.84Å; E298-R302 PolarHBondContact O-N 3.34Å; A299-R302 PolarHBondContact O-N 3.35Å; R302-R304 VanDerWaalsContact C-N 3.32Å; R302-R304 PolarHBondContact O-N 3.17Å; R302-K305 WeakPolarHBondContact O-CB 3.21Å; R302-K305 PolarHBondContact O-N 3.45Å; R302-K305 VanDerWaalsContact O-N 3.11Å; R302-K306 PolarHBondContact O-N 3.38Å; R302-V332 HydrophobicContact CB-CG1 3.89Å |
| 303 | L | 79.6 | Confident | 80.3 | Confident | 50 Ų | 50 | 80.5 Ų | 80.5 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.9 | -48.2 | 175.2 | -170.5 | 83.2 | 0 | 0 | 0 | 110.6 | A299 K305 K306 L307 V326 V332 | A299-L303 WeakPolarHBondContact O-CB 3.44Å; A299-L303 PolarHBondContact O-N 3.13Å; L303-K305 VanDerWaalsContact C-N 3.32Å; L303-K305 PolarHBondContact O-N 2.86Å; L303-K306 PolarHBondContact O-N 3.49Å; L303-L307 HydrophobicContact CD2-CD1 4.29Å; L303-L307 HydrophobicContact CG-CD1 4.09Å; L303-L307 WeakPolarHBondContact O-CB 3.36Å; L303-L307 WeakPolarHBondContact O-CG 3.37Å; L303-L307 PolarHBondContact O-N 2.82Å; L303-V326 HydrophobicContact CD1-CG1 3.98Å; L303-V326 VanDerWaalsContact CD1-O 3.26Å; L303-V326 WeakPolarHBondContact CD1-O 3.37Å; L303-V332 HydrophobicContact CB-CG1 4.06Å; L303-V332 HydrophobicContact CD1-CG1 4.4Å; L303-V332 HydrophobicContact CD1-CG2 4.31Å |
| 304 | R | 81.8 | Confident | 79.2 | Confident | 171 Ų | 171 | 82.7 Ų | 82.7 | 65% | 0.645 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.8 | -39.6 | 176.7 | -73.8 | 173.4 | -176.1 | 175.6 | 3.3 | 112.2 | A300 V301 R302 K308 | A300-R304 VanDerWaalsContact O-CG 3.29Å; A300-R304 WeakPolarHBondContact O-CG 3.46Å; A300-R304 PolarHBondContact O-N 3.4Å; V301-R304 PolarHBondContact O-N 3.3Å; R302-R304 VanDerWaalsContact C-N 3.32Å; R302-R304 PolarHBondContact O-N 3.17Å; R304-K308 WeakPolarHBondContact O-CB 3.4Å; R304-K308 VanDerWaalsContact O-CG 3.28Å; R304-K308 WeakPolarHBondContact O-CG 3.47Å; R304-K308 PolarHBondContact O-N 3.3Å |
| 305 | K | 83.5 | Confident | 78.2 | Confident | 146 Ų | 146 | 89 Ų | 89 | 64% | 0.635 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.6 | -46.6 | 175.8 | -74.6 | -178.5 | -179.8 | -178.7 | 0 | 111.5 | V301 R302 L303 K308 A309 | V301-K305 WeakPolarHBondContact O-CG 3.39Å; V301-K305 PolarHBondContact O-N 2.85Å; R302-K305 WeakPolarHBondContact O-CB 3.21Å; R302-K305 PolarHBondContact O-N 3.45Å; R302-K305 VanDerWaalsContact O-N 3.11Å; L303-K305 VanDerWaalsContact C-N 3.32Å; L303-K305 PolarHBondContact O-N 2.86Å; K305-K308 PolarHBondContact O-N 2.91Å; K305-A309 PolarHBondContact O-N 3.3Å |
| 306 | K | 79.7 | Confident | 77.5 | Confident | 65 Ų | 65 | 89.2 Ų | 89.2 | 28% | 0.283 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 175.5 | -82.2 | -164.7 | 179.5 | 179 | 0 | 112.4 | R302 L303 K308 A309 L310 V326 D329 S331 V332 | R302-K306 PolarHBondContact O-N 3.38Å; L303-K306 PolarHBondContact O-N 3.49Å; K306-K308 VanDerWaalsContact C-N 3.28Å; K306-K308 PolarHBondContact O-N 3.41Å; K306-A309 WeakPolarHBondContact O-CB 3.15Å; K306-A309 PolarHBondContact O-N 3.31Å; K306-A309 VanDerWaalsContact O-N 3.11Å; K306-L310 PolarHBondContact O-N 2.89Å; K306-V326 HydrophobicContact CB-CG1 4.21Å; K306-D329 IonicContact NZ-OD2 3.16Å; K306-D329 PolarHBondContact NZ-OD2 3.05Å; K306-S331 PolarHBondContact NZ-OG 3.28Å; K306-V332 HydrophobicContact CD-CG2 3.76Å |
| 307 | L | 80.2 | Confident | 76.5 | Confident | 34 Ų | 34 | 90 Ų | 90 | 18% | 0.178 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 176.6 | -71.9 | 172.5 | 0 | 0 | 0 | 112.1 | L303 K311 I318 K323 V326 | L303-L307 HydrophobicContact CD2-CD1 4.29Å; L303-L307 HydrophobicContact CG-CD1 4.09Å; L303-L307 WeakPolarHBondContact O-CB 3.36Å; L303-L307 WeakPolarHBondContact O-CG 3.37Å; L303-L307 PolarHBondContact O-N 2.82Å; L307-K311 WeakPolarHBondContact O-CG 3.25Å; L307-K311 PolarHBondContact O-N 3.28Å; L307-I318 HydrophobicContact CB-CD1 4.34Å; L307-I318 HydrophobicContact CD2-CD1 4Å; L307-K323 HydrophobicContact CD2-CB 4.45Å; L307-K323 HydrophobicContact CD2-CG 4.11Å; L307-V326 HydrophobicContact CD2-CB 4.06Å; L307-V326 HydrophobicContact CD2-CG1 3.87Å; L307-V326 HydrophobicContact CD2-CG2 4.43Å; L307-V326 HydrophobicContact CG-CG1 4.1Å |
| 308 | K | 82.2 | Confident | 75.6 | Confident | 147 Ų | 147 | 84.8 Ų | 84.8 | 64% | 0.639 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68 | -38.7 | 173.1 | -78 | 178.7 | -179.9 | -173.8 | 0 | 112.3 | R304 K305 K306 K311 K312 | R304-K308 WeakPolarHBondContact O-CB 3.4Å; R304-K308 VanDerWaalsContact O-CG 3.28Å; R304-K308 WeakPolarHBondContact O-CG 3.47Å; R304-K308 PolarHBondContact O-N 3.3Å; K305-K308 PolarHBondContact O-N 2.91Å; K306-K308 VanDerWaalsContact C-N 3.28Å; K306-K308 PolarHBondContact O-N 3.41Å; K308-K311 PolarHBondContact O-N 2.57Å; K308-K312 WeakPolarHBondContact O-CG 3.4Å; K308-K312 PolarHBondContact O-N 3.2Å |
| 309 | A | 81.9 | Confident | 74.8 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 50% | 0.496 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K305 K306 K311 K312 S313 | K305-A309 PolarHBondContact O-N 3.3Å; K306-A309 WeakPolarHBondContact O-CB 3.15Å; K306-A309 PolarHBondContact O-N 3.31Å; K306-A309 VanDerWaalsContact O-N 3.11Å; A309-K311 PolarHBondContact O-N 3.39Å; A309-K312 WeakPolarHBondContact O-CB 3.38Å; A309-K312 PolarHBondContact O-N 3.45Å; A309-K312 VanDerWaalsContact O-N 3.09Å; A309-S313 PolarHBondContact O-N 3.46Å |
| 310 | L | 75.2 | Confident | 74.2 | Confident | 49 Ų | 49 | 91.2 Ų | 91.2 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.5 | -35.4 | 175.1 | -75.8 | 161.1 | 0 | 0 | 0 | 113 | K306 K312 S313 N314 V326 | K306-L310 PolarHBondContact O-N 2.89Å; L310-K312 PolarHBondContact O-N 3.23Å; L310-S313 WeakPolarHBondContact CA-OG 3.25Å; L310-S313 PolarHBondContact O-N 3.35Å; L310-S313 PolarHBondContact O-OG 3.03Å; L310-N314 PolarHBondContact O-N 3.01Å; L310-V326 HydrophobicContact CD1-CB 4.48Å; L310-V326 HydrophobicContact CD1-CG1 4.4Å; L310-V326 HydrophobicContact CD1-CG2 3.3Å |
| 311 | K | 75.8 | Confident | 73.3 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -35.3 | 170.4 | -81.8 | 177.9 | 175.8 | -165.1 | 0 | 112.8 | L307 K308 A309 G316 I318 | L307-K311 WeakPolarHBondContact O-CG 3.25Å; L307-K311 PolarHBondContact O-N 3.28Å; K308-K311 PolarHBondContact O-N 2.57Å; A309-K311 PolarHBondContact O-N 3.39Å; K311-G316 PolarHBondContact O-N 3.04Å; K311-I318 HydrophobicContact CB-CG1 4.47Å; K311-I318 HydrophobicContact CD-CD1 3.97Å; K311-I318 HydrophobicContact CD-CG1 4.12Å; K311-I318 VanDerWaalsContact CE-CD1 3.43Å; K311-I318 HydrophobicContact CG-CD1 3.45Å; K311-I318 VanDerWaalsContact CG-CD1 3.45Å; K311-I318 HydrophobicContact CG-CG1 3.28Å |
| 312 | K | 77.8 | Confident | 72.1 | Confident | 182 Ų | 182 | 95.7 Ų | 95.7 | 79% | 0.791 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -74.5 | -30.4 | 178 | -72.9 | -178.1 | 175.5 | -170.4 | 0 | 112.1 | K308 A309 L310 | K308-K312 WeakPolarHBondContact O-CG 3.4Å; K308-K312 PolarHBondContact O-N 3.2Å; A309-K312 WeakPolarHBondContact O-CB 3.38Å; A309-K312 PolarHBondContact O-N 3.45Å; A309-K312 VanDerWaalsContact O-N 3.09Å; L310-K312 PolarHBondContact O-N 3.23Å |
| 313 | S | 75.4 | Confident | 71.3 | Confident | 77 Ų | 77 | 95.7 Ų | 95.7 | 54% | 0.538 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -79.5 | -30.2 | 176.5 | 68 | 0 | 0 | 0 | 0 | 113.3 | A309 L310 | A309-S313 PolarHBondContact O-N 3.46Å; L310-S313 WeakPolarHBondContact CA-OG 3.25Å; L310-S313 PolarHBondContact O-N 3.35Å; L310-S313 PolarHBondContact O-OG 3.03Å |
| 314 | N | 64.8 | Low | 70.4 | Confident | 58 Ų | 58 | 99.7 Ų | 99.7 | 31% | 0.31 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 38.4 | -175.1 | -71.4 | 9.6 | 0 | 0 | 0 | 113.8 | L310 G316 T317 | L310-N314 PolarHBondContact O-N 3.01Å; N314-G316 VanDerWaalsContact C-N 3.26Å; N314-G316 PolarHBondContact O-N 2.87Å; N314-T317 PolarHBondContact O-N 3.14Å |
| 315 | D | 62.6 | Low | 69.5 | Low | 158 Ų | 158 | 96.5 Ų | 96.5 | 85% | 0.845 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.6 | 47.7 | 174.9 | -79.8 | -16.9 | 0 | 0 | 0 | 114.6 | T317 | D315-T317 VanDerWaalsContact C-N 3.35Å; D315-T317 PolarHBondContact O-N 3.48Å |
| 316 | G | 65.3 | Low | 68.4 | Low | 55 Ų | 55 | 90.2 Ų | 90.2 | 57% | 0.567 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -9.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | K311 N314 | K311-G316 PolarHBondContact O-N 3.04Å; N314-G316 VanDerWaalsContact C-N 3.26Å; N314-G316 PolarHBondContact O-N 2.87Å |
| 317 | T | 58.3 | Low | 67.4 | Low | 110 Ų | 110 | 88.6 Ų | 88.6 | 68% | 0.675 | 48% | 0.475 | S | S | * | . | trans | -114.8 | 122.5 | 176.3 | 55 | 0 | 0 | 0 | 0 | 111.6 | N314 D315 | N314-T317 PolarHBondContact O-N 3.14Å; D315-T317 VanDerWaalsContact C-N 3.35Å; D315-T317 PolarHBondContact O-N 3.48Å | ||
| 318 | I | 60.6 | Low | 66.5 | Low | 20 Ų | 20 | 92.7 Ų | 92.7 | 10% | 0.103 | 49% | 0.492 | C | S | . | . | trans | -101.4 | 119.5 | 171.8 | -39.5 | 179.3 | 0 | 0 | 0 | 108.1 | L307 K311 M322 K323 | L307-I318 HydrophobicContact CB-CD1 4.34Å; L307-I318 HydrophobicContact CD2-CD1 4Å; K311-I318 HydrophobicContact CB-CG1 4.47Å; K311-I318 HydrophobicContact CD-CD1 3.97Å; K311-I318 HydrophobicContact CD-CG1 4.12Å; K311-I318 VanDerWaalsContact CE-CD1 3.43Å; K311-I318 HydrophobicContact CG-CD1 3.45Å; K311-I318 VanDerWaalsContact CG-CD1 3.45Å; K311-I318 HydrophobicContact CG-CG1 3.28Å; I318-M322 HydrophobicContact CG2-CB 3.96Å; I318-K323 HydrophobicContact CB-CG 4.17Å; I318-K323 HydrophobicContact CD1-CG 4.19Å; I318-K323 HydrophobicContact CG2-CG 3.73Å | ||
| 319 | P | 63.4 | Low | 65.8 | Low | 68 Ų | 68 | 88.8 Ų | 88.8 | 44% | 0.442 | 48% | 0.478 | S | S | . | . | trans | -57.4 | 138.2 | 167.2 | -21.4 | 32.3 | 0 | 0 | 0 | 110.8 | H321 M322 K323 | P319-H321 PolarHBondContact O-N 3.05Å; P319-M322 PolarHBondContact O-N 3.06Å; P319-K323 PolarHBondContact O-N 3.04Å | ||
| 320 | E | 65.1 | Low | 65.4 | Low | 155 Ų | 155 | 86.2 Ų | 86.2 | 72% | 0.724 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -57.7 | -37.7 | -177.7 | -69.2 | -166.6 | 145.9 | 0 | 0 | 112.7 | M322 K323 E324 | E320-M322 VanDerWaalsContact C-N 3.28Å; E320-M322 PolarHBondContact O-N 3.01Å; E320-K323 WeakPolarHBondContact O-CB 3.45Å; E320-K323 PolarHBondContact O-N 3.15Å; E320-E324 PolarHBondContact O-N 3.41Å; E320-E324 VanDerWaalsContact O-N 3.07Å |
| 321 | H | 63.6 | Low | 65.4 | Low | 132 Ų | 132 | 86.8 Ų | 86.8 | 61% | 0.611 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -55.7 | -38.8 | 173.5 | -176.8 | -84.2 | 0 | 0 | 0 | 113.2 | P319 E324 L325 | P319-H321 PolarHBondContact O-N 3.05Å; H321-E324 PolarHBondContact O-N 3.19Å; H321-L325 WeakPolarHBondContact CE1-CD1 3.15Å; H321-L325 PolarHBondContact O-N 3.37Å |
| 322 | M | 58.6 | Low | 65.4 | Low | 77 Ų | 77 | 82.2 Ų | 82.2 | 38% | 0.379 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -71.6 | -31.1 | 175.6 | -82.4 | -154.6 | -158.3 | 0 | 0 | 112.4 | I318 P319 E320 L325 V326 | I318-M322 HydrophobicContact CG2-CB 3.96Å; P319-M322 PolarHBondContact O-N 3.06Å; E320-M322 VanDerWaalsContact C-N 3.28Å; E320-M322 PolarHBondContact O-N 3.01Å; M322-L325 PolarHBondContact O-N 3Å; M322-V326 WeakPolarHBondContact O-CB 3.47Å; M322-V326 WeakPolarHBondContact O-CG2 3.37Å; M322-V326 PolarHBondContact O-N 2.87Å |
| 323 | K | 61.7 | Low | 65.4 | Low | 94 Ų | 94 | 76.8 Ų | 76.8 | 41% | 0.409 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 174.8 | -67.2 | -178.2 | -172.8 | 160.9 | 0 | 111.2 | L307 I318 P319 E320 V326 G327 | L307-K323 HydrophobicContact CD2-CB 4.45Å; L307-K323 HydrophobicContact CD2-CG 4.11Å; I318-K323 HydrophobicContact CB-CG 4.17Å; I318-K323 HydrophobicContact CD1-CG 4.19Å; I318-K323 HydrophobicContact CG2-CG 3.73Å; P319-K323 PolarHBondContact O-N 3.04Å; E320-K323 WeakPolarHBondContact O-CB 3.45Å; E320-K323 PolarHBondContact O-N 3.15Å; K323-V326 PolarHBondContact O-N 3.48Å; K323-G327 PolarHBondContact O-N 3.46Å |
| 324 | E | 61.4 | Low | 65.9 | Low | 134 Ų | 134 | 73.5 Ų | 73.5 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.6 | -43.3 | 174.7 | -72.2 | -172 | 158.3 | 0 | 0 | 111.8 | E320 H321 V326 G327 K328 | E320-E324 PolarHBondContact O-N 3.41Å; E320-E324 VanDerWaalsContact O-N 3.07Å; H321-E324 PolarHBondContact O-N 3.19Å; E324-V326 VanDerWaalsContact C-N 3.33Å; E324-V326 PolarHBondContact O-N 3.16Å; E324-G327 WeakPolarHBondContact O-CA 3.38Å; E324-G327 PolarHBondContact O-N 2.61Å; E324-G327 VanDerWaalsContact O-N 3.12Å; E324-K328 WeakPolarHBondContact O-CG 3.37Å; E324-K328 PolarHBondContact O-N 3.42Å |
| 325 | L | 62.7 | Low | 66.9 | Low | 105 Ų | 105 | 71.9 Ų | 71.9 | 55% | 0.55 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 175.7 | -123.5 | 121.4 | 0 | 0 | 0 | 112.1 | H321 M322 G327 K328 D329 | H321-L325 WeakPolarHBondContact CE1-CD1 3.15Å; H321-L325 PolarHBondContact O-N 3.37Å; M322-L325 PolarHBondContact O-N 3Å; L325-G327 VanDerWaalsContact C-N 3.32Å; L325-K328 PolarHBondContact O-N 3.17Å; L325-D329 WeakPolarHBondContact O-CB 3.24Å; L325-D329 PolarHBondContact O-N 3.06Å; L325-D329 VanDerWaalsContact O-N 3.14Å |
| 326 | V | 60 | Low | 67.9 | Low | 13 Ų | 13 | 67.5 Ų | 67.5 | 8% | 0.079 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -69.9 | -30.6 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | L303 K306 L307 L310 M322 K323 E324 D329 | L303-V326 HydrophobicContact CD1-CG1 3.98Å; L303-V326 VanDerWaalsContact CD1-O 3.26Å; L303-V326 WeakPolarHBondContact CD1-O 3.37Å; K306-V326 HydrophobicContact CB-CG1 4.21Å; L307-V326 HydrophobicContact CD2-CB 4.06Å; L307-V326 HydrophobicContact CD2-CG1 3.87Å; L307-V326 HydrophobicContact CD2-CG2 4.43Å; L307-V326 HydrophobicContact CG-CG1 4.1Å; L310-V326 HydrophobicContact CD1-CB 4.48Å; L310-V326 HydrophobicContact CD1-CG1 4.4Å; L310-V326 HydrophobicContact CD1-CG2 3.3Å; M322-V326 WeakPolarHBondContact O-CB 3.47Å; M322-V326 WeakPolarHBondContact O-CG2 3.37Å; M322-V326 PolarHBondContact O-N 2.87Å; K323-V326 PolarHBondContact O-N 3.48Å; E324-V326 VanDerWaalsContact C-N 3.33Å; E324-V326 PolarHBondContact O-N 3.16Å; V326-D329 WeakPolarHBondContact O-CB 2.95Å; V326-D329 PolarHBondContact O-N 3.32Å |
| 327 | G | 59.4 | Low | 68.8 | Low | 31 Ų | 31 | 66.4 Ų | 66.4 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F256 K323 E324 L325 D329 | F256-G327 WeakPolarHBondContact CZ-O 3.44Å; K323-G327 PolarHBondContact O-N 3.46Å; E324-G327 WeakPolarHBondContact O-CA 3.38Å; E324-G327 PolarHBondContact O-N 2.61Å; E324-G327 VanDerWaalsContact O-N 3.12Å; L325-G327 VanDerWaalsContact C-N 3.32Å; G327-D329 VanDerWaalsContact C-N 3.28Å |
| 328 | K | 60.7 | Low | 70 | Confident | 121 Ų | 121 | 62.4 Ų | 62.4 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -82.4 | -2.2 | 173.4 | -66.7 | -177.3 | 176.9 | -173.3 | 0 | 113.4 | E324 L325 V330 | E324-K328 WeakPolarHBondContact O-CG 3.37Å; E324-K328 PolarHBondContact O-N 3.42Å; L325-K328 PolarHBondContact O-N 3.17Å; K328-V330 PolarHBondContact O-N 3.47Å |
| 329 | D | 66.9 | Low | 71.1 | Confident | 64 Ų | 64 | 64.9 Ų | 64.9 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | trans | -76.6 | 100.2 | -172.5 | -157.4 | 15.3 | 0 | 0 | 0 | 110.4 | K306 L325 V326 G327 S331 V332 | K306-D329 IonicContact NZ-OD2 3.16Å; K306-D329 PolarHBondContact NZ-OD2 3.05Å; L325-D329 WeakPolarHBondContact O-CB 3.24Å; L325-D329 PolarHBondContact O-N 3.06Å; L325-D329 VanDerWaalsContact O-N 3.14Å; V326-D329 WeakPolarHBondContact O-CB 2.95Å; V326-D329 PolarHBondContact O-N 3.32Å; G327-D329 VanDerWaalsContact C-N 3.28Å; D329-S331 PolarHBondContact O-N 2.84Å; D329-S331 PolarHBondContact OD1-OG 3.41Å; D329-S331 PolarHBondContact OD2-OG 2.65Å; D329-V332 HydrophobicContact CB-CG2 4.47Å; D329-V332 WeakPolarHBondContact O-CB 3.48Å; D329-V332 WeakPolarHBondContact O-CG2 2.82Å; D329-V332 PolarHBondContact O-N 3.48Å | ||
| 330 | V | 74.7 | Confident | 72.1 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -59 | -27.6 | -169.2 | -167.1 | 0 | 0 | 0 | 0 | 113.4 | V213 F256 G257 V259 K328 V332 R333 Y334 | V213-V330 HydrophobicContact CB-CG1 4.39Å; V213-V330 HydrophobicContact CG2-CG1 3.91Å; F256-V330 HydrophobicContact CD1-CB 4.49Å; F256-V330 HydrophobicContact CD1-CG1 4.32Å; F256-V330 HydrophobicContact CD1-CG2 3.95Å; F256-V330 HydrophobicContact CE1-CB 4.49Å; F256-V330 HydrophobicContact CE1-CG1 4.5Å; F256-V330 HydrophobicContact CE1-CG2 4.28Å; G257-V330 VanDerWaalsContact CA-CG2 3.46Å; V259-V330 HydrophobicContact CG2-CB 4.08Å; V259-V330 HydrophobicContact CG2-CG1 3.29Å; K328-V330 PolarHBondContact O-N 3.47Å; V330-V332 PolarHBondContact O-N 2.92Å; V330-R333 PolarHBondContact O-N 2.94Å; V330-Y334 HydrophobicContact CG1-CD2 3.73Å; V330-Y334 PolarHBondContact O-N 3.43Å |
| 331 | S | 75.8 | Confident | 73.2 | Confident | 60 Ų | 60 | 59.5 Ų | 59.5 | 42% | 0.42 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -59.8 | -14.7 | 175.8 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | K306 D329 Y334 | K306-S331 PolarHBondContact NZ-OG 3.28Å; D329-S331 PolarHBondContact O-N 2.84Å; D329-S331 PolarHBondContact OD1-OG 3.41Å; D329-S331 PolarHBondContact OD2-OG 2.65Å; S331-Y334 WeakPolarHBondContact CA-O 3.27Å |
| 332 | V | 75.6 | Confident | 74.3 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -74.3 | -35.6 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 111.9 | A299 R302 L303 K306 D329 V330 | A299-V332 HydrophobicContact CB-CG1 4.3Å; A299-V332 VanDerWaalsContact O-CG1 3.23Å; A299-V332 WeakPolarHBondContact O-CG1 3.33Å; R302-V332 HydrophobicContact CB-CG1 3.89Å; L303-V332 HydrophobicContact CB-CG1 4.06Å; L303-V332 HydrophobicContact CD1-CG1 4.4Å; L303-V332 HydrophobicContact CD1-CG2 4.31Å; K306-V332 HydrophobicContact CD-CG2 3.76Å; D329-V332 HydrophobicContact CB-CG2 4.47Å; D329-V332 WeakPolarHBondContact O-CB 3.48Å; D329-V332 WeakPolarHBondContact O-CG2 2.82Å; D329-V332 PolarHBondContact O-N 3.48Å; V330-V332 PolarHBondContact O-N 2.92Å |
| 333 | R | 77.4 | Confident | 75.6 | Confident | 67 Ų | 67 | 51.8 Ų | 51.8 | 25% | 0.253 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -39.2 | -177.3 | -72.6 | -172 | 176.7 | 160.3 | -9.5 | 112.4 | Q201 D215 F256 Y294 A299 V330 | Q201-R333 VanDerWaalsContact NE2-CZ 3.29Å; D215-R333 VanDerWaalsContact CG-NH1 3.32Å; D215-R333 IonicContact OD1-NH1 2.96Å; D215-R333 PolarHBondContact OD1-NH1 2.84Å; D215-R333 IonicContact OD2-CZ 3.37Å; D215-R333 IonicContact OD2-NH1 3.88Å; D215-R333 PolarHBondContact OD2-NH1 3.07Å; D215-R333 IonicContact OD2-NH2 3.89Å; F256-R333 HydrophobicContact CE1-CG 4.26Å; F256-R333 HydrophobicContact CZ-CG 4.45Å; F256-R333 VanDerWaalsContact CZ-CZ 3.49Å; Y294-R333 WeakPolarHBondContact CD2-O 3.29Å; Y294-R333 PolarHBondContact N-O 2.74Å; A299-R333 HydrophobicContact CB-CG 4.06Å; V330-R333 PolarHBondContact O-N 2.94Å |
| 334 | Y | 85.8 | Confident | 76.8 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.7 | 179.5 | -63 | -79.6 | 0 | 0 | 0 | 109.6 | Q201 I203 V213 F272 L279 R292 A293 V330 S331 | Q201-Y334 PolarHBondContact OE1-OH 2.79Å; I203-Y334 HydrophobicContact CD1-CD1 4.35Å; I203-Y334 HydrophobicContact CD1-CE1 3.62Å; I203-Y334 HydrophobicContact CD1-CE2 4.25Å; V213-Y334 HydrophobicContact CG1-CE2 3.99Å; V213-Y334 HydrophobicContact CG2-CD2 4.47Å; V213-Y334 HydrophobicContact CG2-CE2 4.38Å; F272-Y334 HydrophobicContact CE1-CE1 4.26Å; F272-Y334 AromaticContact CZ-CE1 3.97Å; F272-Y334 HydrophobicContact CZ-CE1 3.97Å; L279-Y334 HydrophobicContact CD2-CD1 4.31Å; L279-Y334 HydrophobicContact CD2-CE1 4.42Å; R292-Y334 WeakPolarHBondContact O-CA 3.48Å; A293-Y334 HydrophobicContact CB-CD1 4.03Å; A293-Y334 HydrophobicContact CB-CE1 3.65Å; V330-Y334 HydrophobicContact CG1-CD2 3.73Å; V330-Y334 PolarHBondContact O-N 3.43Å; S331-Y334 WeakPolarHBondContact CA-O 3.27Å |
| 335 | A | 84.6 | Confident | 78.1 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y291 R292 Y294 L337 | Y291-A335 CarbonylContact C-O 3.58Å; Y291-A335 VanDerWaalsContact CA-O 3.31Å; Y291-A335 WeakPolarHBondContact CA-O 3.22Å; R292-A335 PolarHBondContact N-O 3.24Å; R292-A335 PolarHBondContact O-N 3.32Å; R292-A335 VanDerWaalsContact O-N 3.1Å; Y294-A335 HydrophobicContact CE2-CB 3.6Å; A335-L337 PolarHBondContact O-N 2.98Å |
| 336 | H | 85.3 | Confident | 79.4 | Confident | 65 Ų | 65 | 43 Ų | 43 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 126.1 | 168.6 | 179.4 | -92.5 | 0 | 0 | 0 | 109.1 | H262 Y291 | H262-H336 AromaticContact CE1-CG 3.89Å; H262-H336 AromaticContact ND1-CD2 3.55Å; H262-H336 AromaticContact ND1-CG 3.83Å; H262-H336 AromaticContact ND1-NE2 3.67Å; Y291-H336 HydrophobicContact CD1-CB 4.01Å; Y291-H336 HydrophobicContact CE1-CB 3.85Å |
| 337 | L | 83.2 | Confident | 80.7 | Confident | 33 Ų | 33 | 46 Ų | 46 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -61.9 | 176.6 | -76.9 | 159.2 | 0 | 0 | 0 | 109.9 | L278 V290 R292 A335 P383 | L278-L337 HydrophobicContact CD2-CD1 3.38Å; V290-L337 HydrophobicContact CG1-CD1 4.2Å; V290-L337 WeakPolarHBondContact O-CB 3.47Å; V290-L337 PolarHBondContact O-N 3.36Å; R292-L337 HydrophobicContact CB-CD1 3.6Å; R292-L337 HydrophobicContact CB-CD2 4.32Å; R292-L337 HydrophobicContact CB-CG 3.89Å; R292-L337 HydrophobicContact CG-CD1 4.43Å; A335-L337 PolarHBondContact O-N 2.98Å; L337-P383 HydrophobicContact CB-CG 4.16Å; L337-P383 HydrophobicContact CD1-CG 4.17Å; L337-P383 HydrophobicContact CD2-CG 4.35Å; L337-P383 HydrophobicContact CG-CG 4.48Å |
| 338 | C | 83.7 | Confident | 82.1 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 17% | 0.169 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 173.9 | -174 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | V290 F385 | V290-C338 PolarHBondContact N-O 2.83Å; C338-F385 WeakPolarHBondContact SG-CE2 3.42Å |
| 339 | Q | 84.2 | Confident | 83.6 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 34% | 0.341 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.4 | 176.6 | -174.9 | 170 | 52.2 | 0 | 0 | 109.1 | F287 I288 D289 N341 | F287-Q339 HydrophobicContact CB-CG 3.76Å; F287-Q339 VanDerWaalsContact CB-NE2 3.26Å; F287-Q339 HydrophobicContact CD1-CG 3.73Å; F287-Q339 HydrophobicContact CG-CG 4.04Å; I288-Q339 CarbonylContact O-C 3.49Å; I288-Q339 WeakPolarHBondContact O-CA 3.45Å; D289-Q339 WeakPolarHBondContact OD1-CG 3.38Å; D289-Q339 PolarHBondContact OD1-NE2 2.9Å; Q339-N341 PolarHBondContact O-N 2.64Å |
| 340 | C | 83.3 | Confident | 84.7 | Confident | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.4 | 173.5 | -52.5 | 0 | 0 | 0 | 0 | 108.3 | F287 I288 L342 F385 | F287-C340 WeakPolarHBondContact CA-O 3.39Å; I288-C340 HydrophobicContact CB-CB 4.3Å; I288-C340 PolarHBondContact N-O 3.44Å; I288-C340 VanDerWaalsContact N-O 3.1Å; I288-C340 PolarHBondContact O-N 2.86Å; C340-L342 PolarHBondContact O-N 3.44Å; C340-F385 WeakPolarHBondContact SG-CD1 3.46Å; C340-F385 WeakPolarHBondContact SG-CE1 3.49Å; C340-F385 VanDerWaalsContact SG-CG 3.53Å; C340-F385 VanDerWaalsContact SG-CZ 3.55Å |
| 341 | N | 88.7 | Confident | 85.4 | Confident | 100 Ų | 100 | 38.4 Ų | 38.4 | 54% | 0.535 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 103.7 | 175.5 | -171 | 21.7 | 0 | 0 | 0 | 109.2 | F287 Q339 | F287-N341 HydrophobicContact CD1-CB 4.36Å; F287-N341 HydrophobicContact CE1-CB 4.21Å; F287-N341 WeakPolarHBondContact CE1-OD1 3.47Å; Q339-N341 PolarHBondContact O-N 2.64Å |
| 342 | L | 86.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | trans | -72.4 | 153.9 | 170.1 | -55.7 | 170.4 | 0 | 0 | 0 | 109.5 | K286 I288 C340 S344 F346 V363 L365 W373 | K286-L342 WeakPolarHBondContact O-CA 3.42Å; K286-L342 VanDerWaalsContact O-CB 3.27Å; K286-L342 WeakPolarHBondContact O-CB 3.48Å; K286-L342 PolarHBondContact O-N 2.74Å; I288-L342 HydrophobicContact CD1-CD1 3.83Å; I288-L342 HydrophobicContact CD1-CD2 4.11Å; I288-L342 HydrophobicContact CD1-CG 4.25Å; I288-L342 HydrophobicContact CG1-CD1 3.85Å; I288-L342 HydrophobicContact CG1-CG 4.33Å; C340-L342 PolarHBondContact O-N 3.44Å; L342-S344 WeakPolarHBondContact CB-O 3.32Å; L342-F346 HydrophobicContact CD1-CB 3.77Å; L342-F346 HydrophobicContact CD1-CD2 4.01Å; L342-F346 HydrophobicContact CD1-CG 4.36Å; L342-V363 HydrophobicContact CD1-CG1 3.98Å; L342-V363 HydrophobicContact CD2-CB 4.32Å; L342-V363 HydrophobicContact CD2-CG1 3.87Å; L342-V363 HydrophobicContact CD2-CG2 4.2Å; L342-L365 HydrophobicContact CB-CD2 4.07Å; L342-L365 HydrophobicContact CD1-CD2 3.87Å; L342-L365 HydrophobicContact CD2-CD2 4.46Å; L342-L365 HydrophobicContact CG-CD2 4.37Å; L342-W373 HydrophobicContact CD2-CZ2 4.4Å | ||
| 343 | S | 85.8 | Confident | 86.2 | Confident | 45 Ų | 45 | 39.9 Ų | 39.9 | 32% | 0.315 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -71.2 | -30.8 | 176.7 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | K286 L365 R369 E371 | K286-S343 PolarHBondContact NZ-O 3.13Å; S343-L365 VanDerWaalsContact OG-CD1 3.24Å; S343-L365 WeakPolarHBondContact OG-CD1 3.26Å; S343-R369 VanDerWaalsContact CB-CZ 3.45Å; S343-R369 PolarHBondContact OG-NH1 3.05Å; S343-R369 PolarHBondContact OG-NH2 3.13Å; S343-E371 WeakPolarHBondContact CB-OE1 3.5Å; S343-E371 VanDerWaalsContact OG-CD 3.28Å; S343-E371 PolarHBondContact OG-OE1 3.2Å; S343-E371 PolarHBondContact OG-OE2 3.02Å |
| 344 | S | 86.5 | Confident | 86.2 | Confident | 21 Ų | 21 | 37.8 Ų | 37.8 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -140 | -175.9 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | L342 D367 | L342-S344 WeakPolarHBondContact CB-O 3.32Å; S344-D367 VanDerWaalsContact CB-OD1 3.23Å; S344-D367 WeakPolarHBondContact CB-OD1 3.45Å; S344-D367 WeakPolarHBondContact CB-OD2 3.5Å; S344-D367 PolarHBondContact OG-OD1 3.32Å; S344-D367 PolarHBondContact OG-OD2 3.09Å |
| 345 | K | 89.3 | Confident | 85.5 | Confident | 121 Ų | 121 | 45.9 Ų | 45.9 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | trans | -66.5 | 132.7 | -178 | -65.4 | 178.5 | -177.2 | 172.9 | 0 | 110.2 | G285 L365 N366 | G285-K345 WeakPolarHBondContact O-CA 3.41Å; K345-L365 WeakPolarHBondContact O-CA 3.27Å; K345-N366 HydrophobicContact CB-CB 4.28Å; K345-N366 PolarHBondContact O-N 2.68Å | ||
| 346 | F | 89.9 | Confident | 84.6 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 144.8 | 179.4 | 174.4 | -97.1 | 0 | 0 | 0 | 113.1 | A268 N269 S282 G285 I288 L342 A348 F349 V363 | A268-F346 HydrophobicContact CB-CD1 3.76Å; A268-F346 HydrophobicContact CB-CE1 3.87Å; N269-F346 HydrophobicContact CB-CE1 4.1Å; N269-F346 HydrophobicContact CB-CZ 4.3Å; S282-F346 VanDerWaalsContact CB-CD1 3.41Å; S282-F346 WeakPolarHBondContact OG-CD1 3.26Å; S282-F346 WeakPolarHBondContact OG-CE1 3.49Å; G285-F346 PolarHBondContact O-N 3.28Å; I288-F346 HydrophobicContact CD1-CD2 4.03Å; I288-F346 HydrophobicContact CD1-CE2 4.28Å; I288-F346 HydrophobicContact CG1-CD2 4.39Å; L342-F346 HydrophobicContact CD1-CB 3.77Å; L342-F346 HydrophobicContact CD1-CD2 4.01Å; L342-F346 HydrophobicContact CD1-CG 4.36Å; F346-A348 WeakPolarHBondContact CE2-O 3.28Å; F346-F349 HydrophobicContact CD2-CD1 4.4Å; F346-F349 HydrophobicContact CE1-CD1 4.32Å; F346-F349 HydrophobicContact CE2-CB 3.83Å; F346-F349 AromaticContact CE2-CD1 3.3Å; F346-F349 HydrophobicContact CE2-CD1 3.3Å; F346-F349 HydrophobicContact CE2-CE1 4.24Å; F346-F349 AromaticContact CE2-CG 3.98Å; F346-F349 HydrophobicContact CE2-CG 3.98Å; F346-F349 HydrophobicContact CZ-CB 4.24Å; F346-F349 AromaticContact CZ-CD1 3.21Å; F346-F349 HydrophobicContact CZ-CD1 3.21Å; F346-F349 AromaticContact CZ-CE1 3.79Å; F346-F349 HydrophobicContact CZ-CE1 3.79Å; F346-F349 HydrophobicContact CZ-CG 4.02Å; F346-V363 HydrophobicContact CD2-CG1 3.69Å; F346-V363 HydrophobicContact CE2-CG1 3.96Å |
| 347 | K | 88.5 | Confident | 84.1 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | -61.9 | 169.5 | 178.7 | 56 | -179.1 | -169.6 | 0 | 113.8 | P22 E23 S24 L364 N366 | P22-K347 WeakPolarHBondContact O-CD 3.3Å; P22-K347 WeakPolarHBondContact O-CE 3.29Å; P22-K347 WeakPolarHBondContact O-CG 3.4Å; P22-K347 PolarHBondContact O-NZ 3.21Å; E23-K347 VanDerWaalsContact O-CE 3.26Å; E23-K347 WeakPolarHBondContact O-CE 3.37Å; E23-K347 PolarHBondContact O-NZ 3.48Å; S24-K347 WeakPolarHBondContact O-CE 3.43Å; K347-L364 HydrophobicContact CB-CB 4.43Å; K347-L364 HydrophobicContact CB-CD2 4.49Å; K347-L364 HydrophobicContact CG-CD2 4.18Å; K347-L364 PolarHBondContact N-O 2.75Å; K347-N366 WeakPolarHBondContact CB-OD1 3.49Å |
| 348 | A | 88.5 | Confident | 84.2 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 154.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | I26 F346 L364 | I26-A348 HydrophobicContact CG2-CB 4.49Å; F346-A348 WeakPolarHBondContact CE2-O 3.28Å; A348-L364 HydrophobicContact CB-CB 4.2Å; A348-L364 WeakPolarHBondContact O-CB 3.34Å; A348-L364 PolarHBondContact O-N 3.38Å |
| 349 | F | 91.1 | Very high | 84.4 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.035 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 160.8 | 168.2 | 60.6 | -110.7 | 0 | 0 | 0 | 109.6 | N269 E271 F280 I288 F346 F351 V361 L362 V363 | N269-F349 HydrophobicContact CB-CE1 4.22Å; N269-F349 HydrophobicContact CB-CZ 4.4Å; E271-F349 HydrophobicContact CB-CE2 3.66Å; E271-F349 HydrophobicContact CB-CZ 3.8Å; E271-F349 HydrophobicContact CG-CE2 4.43Å; F280-F349 HydrophobicContact CB-CE1 4.28Å; F280-F349 HydrophobicContact CB-CE2 4.41Å; F280-F349 HydrophobicContact CB-CZ 3.9Å; I288-F349 HydrophobicContact CD1-CD1 4.33Å; F346-F349 HydrophobicContact CD2-CD1 4.4Å; F346-F349 HydrophobicContact CE1-CD1 4.32Å; F346-F349 HydrophobicContact CE2-CB 3.83Å; F346-F349 AromaticContact CE2-CD1 3.3Å; F346-F349 HydrophobicContact CE2-CD1 3.3Å; F346-F349 HydrophobicContact CE2-CE1 4.24Å; F346-F349 AromaticContact CE2-CG 3.98Å; F346-F349 HydrophobicContact CE2-CG 3.98Å; F346-F349 HydrophobicContact CZ-CB 4.24Å; F346-F349 AromaticContact CZ-CD1 3.21Å; F346-F349 HydrophobicContact CZ-CD1 3.21Å; F346-F349 AromaticContact CZ-CE1 3.79Å; F346-F349 HydrophobicContact CZ-CE1 3.79Å; F346-F349 HydrophobicContact CZ-CG 4.02Å; F349-F351 HydrophobicContact CD2-CE1 4.06Å; F349-F351 AromaticContact CD2-CE2 3.83Å; F349-F351 HydrophobicContact CD2-CE2 3.83Å; F349-F351 AromaticContact CD2-CZ 3.54Å; F349-F351 HydrophobicContact CD2-CZ 3.54Å; F349-F351 HydrophobicContact CE2-CD2 4.37Å; F349-F351 HydrophobicContact CE2-CE1 4.14Å; F349-F351 AromaticContact CE2-CE2 3.37Å; F349-F351 HydrophobicContact CE2-CE2 3.37Å; F349-F351 AromaticContact CE2-CZ 3.2Å; F349-F351 HydrophobicContact CE2-CZ 3.2Å; F349-F351 HydrophobicContact CZ-CE2 4.41Å; F349-F351 HydrophobicContact CZ-CZ 4.05Å; F349-V361 HydrophobicContact CB-CG1 4.19Å; F349-V361 HydrophobicContact CG-CG1 4.5Å; F349-L362 CarbonylContact C-O 3.56Å; F349-L362 WeakPolarHBondContact CA-O 2.88Å; F349-L362 WeakPolarHBondContact CB-O 2.98Å; F349-V363 HydrophobicContact CB-CG2 4.14Å |
| 350 | D | 89.7 | Confident | 84.7 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 161.7 | 170.6 | -171.8 | 23.3 | 0 | 0 | 0 | 110.2 | V27 Y28 L362 | V27-D350 WeakPolarHBondContact CA-OD2 3.44Å; Y28-D350 HydrophobicContact CD2-CB 4.21Å; Y28-D350 PolarHBondContact N-OD2 2.84Å; D350-L362 PolarHBondContact N-O 3.14Å; D350-L362 PolarHBondContact O-N 3.4Å |
| 351 | F | 89.6 | Confident | 85 | Confident | 16 Ų | 16 | 50 Ų | 50 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 144.7 | -175.2 | -59.4 | -66.4 | 0 | 0 | 0 | 113 | E271 P274 F280 F349 L359 Y360 V361 | E271-F351 HydrophobicContact CB-CE2 3.91Å; E271-F351 HydrophobicContact CG-CD2 4.43Å; E271-F351 HydrophobicContact CG-CE2 3.83Å; P274-F351 HydrophobicContact CG-CB 4Å; F280-F351 HydrophobicContact CB-CE1 4.49Å; F280-F351 HydrophobicContact CB-CZ 3.88Å; F280-F351 HydrophobicContact CD1-CE1 4.26Å; F280-F351 HydrophobicContact CD1-CZ 4.47Å; F280-F351 AromaticContact CD2-CE1 3.44Å; F280-F351 HydrophobicContact CD2-CE1 3.44Å; F280-F351 VanDerWaalsContact CD2-CE1 3.44Å; F280-F351 HydrophobicContact CD2-CE2 4.46Å; F280-F351 AromaticContact CD2-CZ 3.35Å; F280-F351 HydrophobicContact CD2-CZ 3.35Å; F280-F351 HydrophobicContact CE1-CE1 4.39Å; F280-F351 HydrophobicContact CE2-CD1 4.48Å; F280-F351 AromaticContact CE2-CE1 3.6Å; F280-F351 HydrophobicContact CE2-CE1 3.6Å; F280-F351 AromaticContact CE2-CZ 4Å; F280-F351 HydrophobicContact CE2-CZ 4Å; F280-F351 AromaticContact CG-CE1 3.81Å; F280-F351 HydrophobicContact CG-CE1 3.81Å; F280-F351 AromaticContact CG-CZ 3.65Å; F280-F351 HydrophobicContact CG-CZ 3.65Å; F280-F351 HydrophobicContact CZ-CE1 4.09Å; F349-F351 HydrophobicContact CD2-CE1 4.06Å; F349-F351 AromaticContact CD2-CE2 3.83Å; F349-F351 HydrophobicContact CD2-CE2 3.83Å; F349-F351 AromaticContact CD2-CZ 3.54Å; F349-F351 HydrophobicContact CD2-CZ 3.54Å; F349-F351 HydrophobicContact CE2-CD2 4.37Å; F349-F351 HydrophobicContact CE2-CE1 4.14Å; F349-F351 AromaticContact CE2-CE2 3.37Å; F349-F351 HydrophobicContact CE2-CE2 3.37Å; F349-F351 AromaticContact CE2-CZ 3.2Å; F349-F351 HydrophobicContact CE2-CZ 3.2Å; F349-F351 HydrophobicContact CZ-CE2 4.41Å; F349-F351 HydrophobicContact CZ-CZ 4.05Å; F351-L359 HydrophobicContact CB-CD1 4.49Å; F351-L359 HydrophobicContact CD1-CD1 4.45Å; F351-L359 HydrophobicContact CD1-CD2 3.97Å; F351-L359 HydrophobicContact CD1-CG 4.39Å; F351-L359 HydrophobicContact CE1-CD2 4.25Å; F351-Y360 WeakPolarHBondContact CA-O 3.05Å; F351-V361 HydrophobicContact CD1-CB 4.41Å; F351-V361 HydrophobicContact CD1-CG1 4.19Å; F351-V361 HydrophobicContact CD1-CG2 3.92Å; F351-V361 HydrophobicContact CE1-CB 4.44Å; F351-V361 HydrophobicContact CE1-CG1 3.88Å; F351-V361 HydrophobicContact CE1-CG2 3.9Å |
| 352 | R | 85.4 | Confident | 85.1 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134 | 165.2 | -177.9 | -173 | 73.9 | -149.4 | -3.5 | 109.8 | Y28 D31 Y360 E372 | Y28-R352 HydrophobicContact CD1-CB 4.39Å; Y28-R352 HydrophobicContact CD2-CB 3.88Å; Y28-R352 HydrophobicContact CE1-CB 4.32Å; Y28-R352 HydrophobicContact CE2-CB 3.8Å; Y28-R352 HydrophobicContact CG-CB 4.16Å; D31-R352 VanDerWaalsContact C-NH1 3.3Å; D31-R352 PolarHBondContact O-NH1 3.1Å; D31-R352 WeakPolarHBondContact OD1-CD 3.47Å; R352-Y360 PolarHBondContact N-O 3.38Å; R352-Y360 VanDerWaalsContact NH2-CD1 3.34Å; R352-Y360 VanDerWaalsContact NH2-CD2 3.31Å; R352-Y360 PolarHBondContact O-N 3.31Å; R352-E372 IonicContact CZ-OE1 2.94Å; R352-E372 IonicContact NH1-OE1 3.6Å; R352-E372 PolarHBondContact NH1-OE1 3Å; R352-E372 IonicContact NH2-OE1 2.82Å; R352-E372 PolarHBondContact NH2-OE1 2.84Å |
| 353 | T | 83.3 | Confident | 85.3 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 41% | 0.405 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 123.6 | 169.1 | 46.3 | 0 | 0 | 0 | 0 | 109.4 | P274 L359 | P274-T353 HydrophobicContact CB-CG2 4.04Å; P274-T353 HydrophobicContact CG-CG2 4.13Å; T353-L359 HydrophobicContact CG2-CD1 4.24Å |
| 354 | G | 77.6 | Confident | 85.5 | Confident | 23 Ų | 23 | 43 Ų | 43 | 24% | 0.237 | 23% | 0.229 | C | C | . | . | trans | -87.4 | 176.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T358 | G354-T358 PolarHBondContact N-O 3.03Š| ||
| 355 | Q | 71.4 | Confident | 85.7 | Confident | 177 Ų | 177 | 42 Ų | 42 | 83% | 0.827 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -66.1 | 140.3 | 166.9 | -62.6 | 179.4 | -4.8 | 0 | 0 | 108.8 | T358 | Q355-T358 PolarHBondContact O-OG1 2.89Š|
| 356 | S | 66.3 | Low | 85.6 | Confident | 109 Ų | 109 | 38.9 Ų | 38.9 | 76% | 0.762 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 64.6 | 65.3 | 176.1 | 59.7 | 0 | 0 | 0 | 0 | 117.8 | T358 | S356-T358 WeakPolarHBondContact O-CG2 3.33Å; S356-T358 PolarHBondContact O-N 2.91Å |
| 357 | D | 74.7 | Confident | 85.4 | Confident | 128 Ų | 128 | 39.7 Ų | 39.7 | 68% | 0.684 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 50.6 | 26.2 | 172.9 | -72.8 | -8.1 | 0 | 0 | 0 | 115.1 | T377 | D357-T377 PolarHBondContact O-OG1 2.89Š|
| 358 | T | 84.8 | Confident | 85.3 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127 | 175 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | G354 Q355 S356 T376 | G354-T358 PolarHBondContact N-O 3.03Å; Q355-T358 PolarHBondContact O-OG1 2.89Å; S356-T358 WeakPolarHBondContact O-CG2 3.33Å; S356-T358 PolarHBondContact O-N 2.91Å; T358-T376 HydrophobicContact CG2-CG2 3.81Å |
| 359 | L | 88 | Confident | 85.2 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.7 | 174.8 | -174.6 | 89.7 | 0 | 0 | 0 | 108.2 | L278 F280 F351 T353 V361 C375 | L278-L359 HydrophobicContact CD1-CD2 4.36Å; F280-L359 HydrophobicContact CE2-CD2 3.56Å; F280-L359 HydrophobicContact CZ-CD2 3.57Å; F351-L359 HydrophobicContact CB-CD1 4.49Å; F351-L359 HydrophobicContact CD1-CD1 4.45Å; F351-L359 HydrophobicContact CD1-CD2 3.97Å; F351-L359 HydrophobicContact CD1-CG 4.39Å; F351-L359 HydrophobicContact CE1-CD2 4.25Å; T353-L359 HydrophobicContact CG2-CD1 4.24Å; L359-V361 HydrophobicContact CD2-CG2 3.78Å; L359-V361 HydrophobicContact CG-CG2 4.36Å; L359-C375 HydrophobicContact CB-CB 4.21Å; L359-C375 PolarHBondContact N-O 3.13Å; L359-C375 PolarHBondContact O-N 2.75Å |
| 360 | Y | 89.6 | Confident | 85.1 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 18% | 0.184 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 131.5 | 169.5 | -65 | -91.7 | 0 | 0 | 0 | 108.9 | F351 R352 E372 W373 R374 | F351-Y360 WeakPolarHBondContact CA-O 3.05Å; R352-Y360 PolarHBondContact N-O 3.38Å; R352-Y360 VanDerWaalsContact NH2-CD1 3.34Å; R352-Y360 VanDerWaalsContact NH2-CD2 3.31Å; R352-Y360 PolarHBondContact O-N 3.31Å; Y360-E372 HydrophobicContact CD1-CG 4.08Å; Y360-E372 WeakPolarHBondContact CD1-OE1 3.25Å; Y360-W373 CarbonylContact C-O 3.52Å; Y360-W373 WeakPolarHBondContact CA-O 3.42Å; Y360-R374 HydrophobicContact CD1-CB 4.09Å; Y360-R374 HydrophobicContact CD1-CG 4.36Å; Y360-R374 HydrophobicContact CE1-CB 3.92Å; Y360-R374 HydrophobicContact CE1-CG 3.91Å |
| 361 | V | 90.4 | Very high | 85 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 113.1 | 179.2 | -171.7 | 0 | 0 | 0 | 0 | 106.9 | F280 F349 F351 L359 V363 W373 | F280-V361 HydrophobicContact CE1-CG2 4.02Å; F280-V361 HydrophobicContact CZ-CG2 3.96Å; F349-V361 HydrophobicContact CB-CG1 4.19Å; F349-V361 HydrophobicContact CG-CG1 4.5Å; F351-V361 HydrophobicContact CD1-CB 4.41Å; F351-V361 HydrophobicContact CD1-CG1 4.19Å; F351-V361 HydrophobicContact CD1-CG2 3.92Å; F351-V361 HydrophobicContact CE1-CB 4.44Å; F351-V361 HydrophobicContact CE1-CG1 3.88Å; F351-V361 HydrophobicContact CE1-CG2 3.9Å; L359-V361 HydrophobicContact CD2-CG2 3.78Å; L359-V361 HydrophobicContact CG-CG2 4.36Å; V361-V363 HydrophobicContact CG1-CG2 3.9Å; V361-W373 HydrophobicContact CB-CB 4.31Å; V361-W373 PolarHBondContact N-O 2.78Å; V361-W373 PolarHBondContact O-N 3.5Å |
| 362 | L | 90.2 | Very high | 85 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.6 | 173.2 | -176.1 | 57.7 | 0 | 0 | 0 | 108.3 | I26 Y28 C34 L47 F349 D350 F370 E371 E372 | I26-L362 HydrophobicContact CD1-CD1 4.04Å; I26-L362 HydrophobicContact CD1-CD2 3.57Å; I26-L362 HydrophobicContact CD1-CG 3.62Å; I26-L362 HydrophobicContact CG1-CD2 3.53Å; I26-L362 HydrophobicContact CG1-CG 3.92Å; I26-L362 HydrophobicContact CG2-CG 4.39Å; Y28-L362 HydrophobicContact CD1-CD2 4.28Å; Y28-L362 HydrophobicContact CD2-CB 4.14Å; Y28-L362 HydrophobicContact CD2-CD2 4.31Å; Y28-L362 HydrophobicContact CE1-CB 4.33Å; Y28-L362 HydrophobicContact CE1-CD2 4.09Å; Y28-L362 HydrophobicContact CE2-CB 3.33Å; Y28-L362 HydrophobicContact CE2-CD2 4.13Å; Y28-L362 HydrophobicContact CE2-CG 4.39Å; Y28-L362 HydrophobicContact CG-CD2 4.41Å; Y28-L362 VanDerWaalsContact CZ-CB 3.46Å; Y28-L362 WeakPolarHBondContact OH-CB 3.44Å; C34-L362 HydrophobicContact CB-CD2 3.5Å; C34-L362 VanDerWaalsContact CB-CD2 3.5Å; L47-L362 HydrophobicContact CD2-CD1 4.22Å; F349-L362 CarbonylContact C-O 3.56Å; F349-L362 WeakPolarHBondContact CA-O 2.88Å; F349-L362 WeakPolarHBondContact CB-O 2.98Å; D350-L362 PolarHBondContact N-O 3.14Å; D350-L362 PolarHBondContact O-N 3.4Å; L362-F370 HydrophobicContact CD1-CB 4.25Å; L362-F370 HydrophobicContact CD1-CD2 3.78Å; L362-F370 HydrophobicContact CD1-CG 4.37Å; L362-E371 CarbonylContact C-O 3.48Å; L362-E371 WeakPolarHBondContact CA-O 3.44Å; L362-E372 HydrophobicContact CD1-CB 4.48Å |
| 363 | V | 90.2 | Very high | 85.1 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.5 | -175.6 | -177.8 | 0 | 0 | 0 | 0 | 109.4 | I288 L342 F346 F349 V361 L365 F370 E371 | I288-V363 HydrophobicContact CD1-CG1 4.44Å; I288-V363 HydrophobicContact CD1-CG2 4.09Å; L342-V363 HydrophobicContact CD1-CG1 3.98Å; L342-V363 HydrophobicContact CD2-CB 4.32Å; L342-V363 HydrophobicContact CD2-CG1 3.87Å; L342-V363 HydrophobicContact CD2-CG2 4.2Å; F346-V363 HydrophobicContact CD2-CG1 3.69Å; F346-V363 HydrophobicContact CE2-CG1 3.96Å; F349-V363 HydrophobicContact CB-CG2 4.14Å; V361-V363 HydrophobicContact CG1-CG2 3.9Å; V363-L365 HydrophobicContact CG1-CD2 3.86Å; V363-L365 HydrophobicContact CG1-CG 4.44Å; V363-F370 CarbonylContact O-C 3.51Å; V363-F370 WeakPolarHBondContact O-CA 3.31Å; V363-F370 WeakPolarHBondContact O-CB 3.48Å; V363-E371 PolarHBondContact N-O 2.99Å; V363-E371 PolarHBondContact O-N 2.91Å |
| 364 | L | 90.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.4 | 168.3 | -161.4 | 66.9 | 0 | 0 | 0 | 110.3 | A20 S24 I26 V36 K347 A348 F370 | A20-L364 HydrophobicContact CB-CD1 3.19Å; A20-L364 HydrophobicContact CB-CD2 4.38Å; A20-L364 HydrophobicContact CB-CG 4.13Å; S24-L364 WeakPolarHBondContact O-CD2 3.41Å; I26-L364 HydrophobicContact CB-CB 4.25Å; I26-L364 HydrophobicContact CB-CD1 4.33Å; I26-L364 HydrophobicContact CD1-CD1 4.05Å; I26-L364 HydrophobicContact CG2-CB 3.82Å; V36-L364 HydrophobicContact CG1-CD1 4.38Å; K347-L364 HydrophobicContact CB-CB 4.43Å; K347-L364 HydrophobicContact CB-CD2 4.49Å; K347-L364 HydrophobicContact CG-CD2 4.18Å; K347-L364 PolarHBondContact N-O 2.75Å; A348-L364 HydrophobicContact CB-CB 4.2Å; A348-L364 WeakPolarHBondContact O-CB 3.34Å; A348-L364 PolarHBondContact O-N 3.38Å; L364-F370 HydrophobicContact CD1-CB 4.08Å |
| 365 | L | 89.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 153.3 | 179.1 | -56.8 | 174.6 | 0 | 0 | 0 | 110.5 | L342 S343 K345 V363 D367 R369 E371 | L342-L365 HydrophobicContact CB-CD2 4.07Å; L342-L365 HydrophobicContact CD1-CD2 3.87Å; L342-L365 HydrophobicContact CD2-CD2 4.46Å; L342-L365 HydrophobicContact CG-CD2 4.37Å; S343-L365 VanDerWaalsContact OG-CD1 3.24Å; S343-L365 WeakPolarHBondContact OG-CD1 3.26Å; K345-L365 WeakPolarHBondContact O-CA 3.27Å; V363-L365 HydrophobicContact CG1-CD2 3.86Å; V363-L365 HydrophobicContact CG1-CG 4.44Å; L365-D367 WeakPolarHBondContact CB-OD1 3.49Å; L365-D367 PolarHBondContact O-N 2.99Å; L365-R369 HydrophobicContact CB-CG 3.84Å; L365-R369 HydrophobicContact CD1-CG 3.81Å; L365-R369 VanDerWaalsContact CD1-CZ 3.5Å; L365-R369 HydrophobicContact CG-CG 4.27Å; L365-R369 PolarHBondContact N-O 2.81Å; L365-E371 HydrophobicContact CD1-CG 3.97Å |
| 366 | N | 87.6 | Confident | 86.2 | Confident | 56 Ų | 56 | 30.1 Ų | 30.1 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.1 | -178.6 | -76.6 | -12.5 | 0 | 0 | 0 | 114.3 | K345 K347 N368 | K345-N366 HydrophobicContact CB-CB 4.28Å; K345-N366 PolarHBondContact O-N 2.68Å; K347-N366 WeakPolarHBondContact CB-OD1 3.49Å; N366-N368 PolarHBondContact O-N 3.15Å |
| 367 | D | 86.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 27.1 Ų | 27.1 | 12% | 0.118 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 42.3 | -178.5 | 59.8 | -22.7 | 0 | 0 | 0 | 112.5 | S344 L365 R369 R397 | S344-D367 VanDerWaalsContact CB-OD1 3.23Å; S344-D367 WeakPolarHBondContact CB-OD1 3.45Å; S344-D367 WeakPolarHBondContact CB-OD2 3.5Å; S344-D367 PolarHBondContact OG-OD1 3.32Å; S344-D367 PolarHBondContact OG-OD2 3.09Å; L365-D367 WeakPolarHBondContact CB-OD1 3.49Å; L365-D367 PolarHBondContact O-N 2.99Å; D367-R369 PolarHBondContact O-N 3.12Å; D367-R369 VanDerWaalsContact OD1-CG 3.29Å; D367-R369 WeakPolarHBondContact OD1-CG 3.39Å; D367-R369 IonicContact OD1-CZ 3.68Å; D367-R369 IonicContact OD1-NE 3.63Å; D367-R369 PolarHBondContact OD1-NE 3.03Å; D367-R369 IonicContact OD1-NH2 2.63Å; D367-R369 IonicContact OD2-CZ 2.65Å; D367-R369 IonicContact OD2-NE 2.71Å; D367-R369 PolarHBondContact OD2-NE 3.3Å; D367-R369 IonicContact OD2-NH2 3.01Å; D367-R369 PolarHBondContact OD2-NH2 2.78Å; D367-R397 WeakPolarHBondContact CA-O 3.41Å; D367-R397 HydrophobicContact CB-CB 4.25Å; D367-R397 WeakPolarHBondContact CB-O 3.46Å; D367-R397 WeakPolarHBondContact O-CA 3.28Å |
| 368 | N | 87 | Confident | 85.9 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 46.1 | 172.7 | -173.1 | 26.8 | 0 | 0 | 0 | 113.3 | N17 I19 A20 N366 H396 | N17-N368 PolarHBondContact O-ND2 3.38Å; I19-N368 WeakPolarHBondContact CA-OD1 3.43Å; I19-N368 WeakPolarHBondContact CB-OD1 3.25Å; I19-N368 WeakPolarHBondContact CD1-O 3.19Å; I19-N368 PolarHBondContact N-OD1 2.97Å; A20-N368 PolarHBondContact N-OD1 3.36Å; A20-N368 PolarHBondContact O-OD1 3.46Å; A20-N368 VanDerWaalsContact O-OD1 3.08Å; N366-N368 PolarHBondContact O-N 3.15Å; N368-H396 PolarHBondContact ND2-O 2.91Å |
| 369 | R | 86.1 | Confident | 84.5 | Confident | 33 Ų | 33 | 30.4 Ų | 30.4 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 161.4 | 176.8 | 63.3 | 172.2 | 166.3 | 171.5 | -10.5 | 112.2 | S343 L365 D367 E371 | S343-R369 VanDerWaalsContact CB-CZ 3.45Å; S343-R369 PolarHBondContact OG-NH1 3.05Å; S343-R369 PolarHBondContact OG-NH2 3.13Å; L365-R369 HydrophobicContact CB-CG 3.84Å; L365-R369 HydrophobicContact CD1-CG 3.81Å; L365-R369 VanDerWaalsContact CD1-CZ 3.5Å; L365-R369 HydrophobicContact CG-CG 4.27Å; L365-R369 PolarHBondContact N-O 2.81Å; D367-R369 PolarHBondContact O-N 3.12Å; D367-R369 VanDerWaalsContact OD1-CG 3.29Å; D367-R369 WeakPolarHBondContact OD1-CG 3.39Å; D367-R369 IonicContact OD1-CZ 3.68Å; D367-R369 IonicContact OD1-NE 3.63Å; D367-R369 PolarHBondContact OD1-NE 3.03Å; D367-R369 IonicContact OD1-NH2 2.63Å; D367-R369 IonicContact OD2-CZ 2.65Å; D367-R369 IonicContact OD2-NE 2.71Å; D367-R369 PolarHBondContact OD2-NE 3.3Å; D367-R369 IonicContact OD2-NH2 3.01Å; D367-R369 PolarHBondContact OD2-NH2 2.78Å; R369-E371 IonicContact CZ-OE1 2.75Å; R369-E371 IonicContact NH1-OE1 3.93Å; R369-E371 PolarHBondContact NH1-OE1 3.41Å |
| 370 | F | 88.3 | Confident | 83.1 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.4 | 168.1 | 61.5 | -98 | 0 | 0 | 0 | 110.7 | I19 I26 V36 W45 L47 M50 L362 V363 L364 | I19-F370 HydrophobicContact CG2-CD1 3.61Å; I19-F370 HydrophobicContact CG2-CE1 3.45Å; I19-F370 VanDerWaalsContact CG2-CE1 3.45Å; I26-F370 HydrophobicContact CD1-CB 3.55Å; I26-F370 HydrophobicContact CD1-CD1 4.3Å; I26-F370 HydrophobicContact CD1-CG 3.91Å; V36-F370 HydrophobicContact CG2-CD1 4.46Å; W45-F370 HydrophobicContact CB-CE1 4.37Å; W45-F370 HydrophobicContact CB-CZ 4.19Å; W45-F370 HydrophobicContact CD2-CE1 4.03Å; W45-F370 HydrophobicContact CD2-CZ 4.31Å; W45-F370 HydrophobicContact CE3-CE1 4.46Å; W45-F370 HydrophobicContact CE3-CZ 4.43Å; W45-F370 AromaticContact CG-CE1 3.98Å; W45-F370 HydrophobicContact CG-CE1 3.98Å; W45-F370 HydrophobicContact CG-CZ 4.22Å; L47-F370 HydrophobicContact CD2-CD2 4.16Å; L47-F370 HydrophobicContact CD2-CE2 3.54Å; L47-F370 HydrophobicContact CD2-CZ 4.35Å; M50-F370 HydrophobicContact CE-CE2 3.94Å; M50-F370 HydrophobicContact CE-CZ 4.3Å; M50-F370 HydrophobicContact SD-CE2 3.92Å; M50-F370 HydrophobicContact SD-CZ 3.67Å; L362-F370 HydrophobicContact CD1-CB 4.25Å; L362-F370 HydrophobicContact CD1-CD2 3.78Å; L362-F370 HydrophobicContact CD1-CG 4.37Å; V363-F370 CarbonylContact O-C 3.51Å; V363-F370 WeakPolarHBondContact O-CA 3.31Å; V363-F370 WeakPolarHBondContact O-CB 3.48Å; L364-F370 HydrophobicContact CD1-CB 4.08Å |
| 371 | E | 87.9 | Confident | 81.7 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.8 | -179.1 | -72 | -178 | 172.6 | 0 | 0 | 110.1 | S343 L362 V363 L365 R369 W373 L387 | S343-E371 WeakPolarHBondContact CB-OE1 3.5Å; S343-E371 VanDerWaalsContact OG-CD 3.28Å; S343-E371 PolarHBondContact OG-OE1 3.2Å; S343-E371 PolarHBondContact OG-OE2 3.02Å; L362-E371 CarbonylContact C-O 3.48Å; L362-E371 WeakPolarHBondContact CA-O 3.44Å; V363-E371 PolarHBondContact N-O 2.99Å; V363-E371 PolarHBondContact O-N 2.91Å; L365-E371 HydrophobicContact CD1-CG 3.97Å; R369-E371 IonicContact CZ-OE1 2.75Å; R369-E371 IonicContact NH1-OE1 3.93Å; R369-E371 PolarHBondContact NH1-OE1 3.41Å; E371-W373 PolarHBondContact OE2-NE1 2.95Å; E371-L387 HydrophobicContact CB-CD1 3.78Å; E371-L387 HydrophobicContact CG-CD1 4.03Å |
| 372 | E | 89.6 | Confident | 80.5 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.5 | 171.1 | -172.6 | -179 | -147.7 | 0 | 0 | 109.4 | Y28 R352 Y360 L362 C388 T389 | Y28-E372 WeakPolarHBondContact OH-CG 3.5Å; Y28-E372 PolarHBondContact OH-OE1 2.66Å; R352-E372 IonicContact CZ-OE1 2.94Å; R352-E372 IonicContact NH1-OE1 3.6Å; R352-E372 PolarHBondContact NH1-OE1 3Å; R352-E372 IonicContact NH2-OE1 2.82Å; R352-E372 PolarHBondContact NH2-OE1 2.84Å; Y360-E372 HydrophobicContact CD1-CG 4.08Å; Y360-E372 WeakPolarHBondContact CD1-OE1 3.25Å; L362-E372 HydrophobicContact CD1-CB 4.48Å; E372-C388 HydrophobicContact CB-CB 4.37Å; E372-C388 HydrophobicContact CG-CB 4.37Å; E372-C388 PolarHBondContact O-N 2.81Å; E372-T389 HydrophobicContact CB-CG2 3.73Å; E372-T389 PolarHBondContact N-OG1 3.42Å |
| 373 | W | 88.2 | Confident | 79.5 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 13% | 0.129 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.8 | 177 | -70.6 | 81.6 | 0 | 0 | 0 | 110 | L342 Y360 V361 E371 F385 D386 L387 | L342-W373 HydrophobicContact CD2-CZ2 4.4Å; Y360-W373 CarbonylContact C-O 3.52Å; Y360-W373 WeakPolarHBondContact CA-O 3.42Å; V361-W373 HydrophobicContact CB-CB 4.31Å; V361-W373 PolarHBondContact N-O 2.78Å; V361-W373 PolarHBondContact O-N 3.5Å; E371-W373 PolarHBondContact OE2-NE1 2.95Å; W373-F385 HydrophobicContact CE3-CB 3.96Å; W373-F385 HydrophobicContact CZ3-CB 4.22Å; W373-D386 CarbonylContact C-O 3.47Å; W373-D386 WeakPolarHBondContact CA-O 3.1Å; W373-L387 HydrophobicContact CD2-CD1 4.17Å; W373-L387 HydrophobicContact CE3-CB 4.49Å; W373-L387 HydrophobicContact CG-CD1 4.44Å; W373-L387 HydrophobicContact CZ2-CD1 4.16Å; W373-L387 HydrophobicContact CZ3-CB 4.45Å |
| 374 | R | 88.2 | Confident | 78.8 | Confident | 87 Ų | 87 | 44.9 Ų | 44.9 | 33% | 0.328 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.9 | 172.9 | 179.9 | 179 | 67.8 | -166.1 | 0.1 | 109.5 | Y360 T376 F385 D386 C388 | Y360-R374 HydrophobicContact CD1-CB 4.09Å; Y360-R374 HydrophobicContact CD1-CG 4.36Å; Y360-R374 HydrophobicContact CE1-CB 3.92Å; Y360-R374 HydrophobicContact CE1-CG 3.91Å; R374-T376 HydrophobicContact CG-CG2 4.29Å; R374-F385 WeakPolarHBondContact O-CA 3.43Å; R374-D386 IonicContact CZ-OD2 2.8Å; R374-D386 PolarHBondContact N-O 3.09Å; R374-D386 IonicContact NE-OD2 3.96Å; R374-D386 IonicContact NH2-OD2 3.86Å; R374-D386 PolarHBondContact NH2-OD2 2.63Å; R374-D386 PolarHBondContact O-N 2.91Å; R374-C388 VanDerWaalsContact CB-SG 3.54Å |
| 375 | C | 84.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 115.2 | 171.8 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | L359 S384 F385 | L359-C375 HydrophobicContact CB-CB 4.21Å; L359-C375 PolarHBondContact N-O 3.13Å; L359-C375 PolarHBondContact O-N 2.75Å; C375-S384 WeakPolarHBondContact CA-O 3.4Å; C375-F385 HydrophobicContact CB-CD1 3.98Å; C375-F385 HydrophobicContact CB-CE1 3.52Å; C375-F385 HydrophobicContact CB-CZ 3.9Å; C375-F385 VanDerWaalsContact SG-CZ 3.54Å |
| 376 | T | 81 | Confident | 77.7 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.6 | 173.6 | 46.2 | 0 | 0 | 0 | 0 | 109.6 | T358 R374 P383 S384 | T358-T376 HydrophobicContact CG2-CG2 3.81Å; R374-T376 HydrophobicContact CG-CG2 4.29Å; T376-P383 WeakPolarHBondContact O-CA 3.46Å; T376-S384 PolarHBondContact N-O 3.25Å; T376-S384 PolarHBondContact OG1-OG 3.48Å |
| 377 | T | 70.5 | Confident | 77.4 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 28% | 0.282 | 29% | 0.294 | S | S | . | . | trans | -98.3 | 90.9 | 177.7 | 19 | 0 | 0 | 0 | 0 | 110.7 | L278 D357 P383 | L278-T377 HydrophobicContact CD1-CG2 4.09Å; L278-T377 HydrophobicContact CD2-CG2 4.49Å; D357-T377 PolarHBondContact O-OG1 2.89Å; T377-P383 HydrophobicContact CG2-CB 4.09Å | ||
| 378 | T | 64.6 | Low | 77 | Confident | 92 Ų | 92 | 51.8 Ų | 51.8 | 56% | 0.564 | 31% | 0.306 | S | S | * | . | trans | -77.9 | 128.3 | 165.6 | 16.9 | 0 | 0 | 0 | 0 | 109.5 | G380 S381 | T378-G380 PolarHBondContact O-N 2.94Å; T378-S381 PolarHBondContact O-N 3.17Å; T378-S381 VanDerWaalsContact O-N 3.1Å | ||
| 379 | S | 55.9 | Low | 76.1 | Confident | 127 Ų | 127 | 52.5 Ų | 52.5 | 89% | 0.888 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 90.8 | -178.8 | 55.5 | 0 | 0 | 0 | 0 | 111.9 | ||
| 380 | G | 57.9 | Low | 74.9 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 78% | 0.784 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.1 | -12.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T378 | T378-G380 PolarHBondContact O-N 2.94Š|
| 381 | S | 60.6 | Low | 73.6 | Confident | 73 Ų | 73 | 59.5 Ų | 59.5 | 51% | 0.51 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -99.7 | 157.6 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | T378 | T378-S381 PolarHBondContact O-N 3.17Å; T378-S381 VanDerWaalsContact O-N 3.1Å |
| 382 | E | 65.6 | Low | 72.3 | Confident | 148 Ų | 148 | 63.2 Ų | 63.2 | 69% | 0.692 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 137.1 | 161.4 | -68.3 | 178.2 | 178.9 | 0 | 0 | 108.9 | S384 | E382-S384 PolarHBondContact O-N 3.21Š|
| 383 | P | 68.8 | Low | 71.3 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 7% | 0.065 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 127.2 | 176.4 | 25.7 | -33.7 | 0 | 0 | 0 | 109.9 | L337 T376 T377 F385 | L337-P383 HydrophobicContact CB-CG 4.16Å; L337-P383 HydrophobicContact CD1-CG 4.17Å; L337-P383 HydrophobicContact CD2-CG 4.35Å; L337-P383 HydrophobicContact CG-CG 4.48Å; T376-P383 WeakPolarHBondContact O-CA 3.46Å; T377-P383 HydrophobicContact CG2-CB 4.09Å; P383-F385 HydrophobicContact CB-CE2 3.95Å; P383-F385 HydrophobicContact CG-CE2 3.9Å |
| 384 | S | 75.5 | Confident | 70.7 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.2 | 168.3 | 45.8 | 0 | 0 | 0 | 0 | 109.9 | C375 T376 E382 | C375-S384 WeakPolarHBondContact CA-O 3.4Å; T376-S384 PolarHBondContact N-O 3.25Å; T376-S384 PolarHBondContact OG1-OG 3.48Å; E382-S384 PolarHBondContact O-N 3.21Å |
| 385 | F | 76.9 | Confident | 70.5 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 17% | 0.167 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111 | 175.4 | -75.8 | -90.6 | 0 | 0 | 0 | 108.8 | F280 V290 C338 C340 W373 R374 C375 P383 | F280-F385 HydrophobicContact CE1-CE1 4.03Å; F280-F385 HydrophobicContact CE1-CZ 4.22Å; F280-F385 HydrophobicContact CZ-CE1 4.38Å; F280-F385 HydrophobicContact CZ-CZ 4.44Å; V290-F385 HydrophobicContact CB-CZ 4.39Å; V290-F385 HydrophobicContact CG1-CZ 4.28Å; V290-F385 HydrophobicContact CG2-CE1 4.4Å; V290-F385 HydrophobicContact CG2-CE2 4.37Å; V290-F385 HydrophobicContact CG2-CZ 3.76Å; C338-F385 WeakPolarHBondContact SG-CE2 3.42Å; C340-F385 WeakPolarHBondContact SG-CD1 3.46Å; C340-F385 WeakPolarHBondContact SG-CE1 3.49Å; C340-F385 VanDerWaalsContact SG-CG 3.53Å; C340-F385 VanDerWaalsContact SG-CZ 3.55Å; W373-F385 HydrophobicContact CE3-CB 3.96Å; W373-F385 HydrophobicContact CZ3-CB 4.22Å; R374-F385 WeakPolarHBondContact O-CA 3.43Å; C375-F385 HydrophobicContact CB-CD1 3.98Å; C375-F385 HydrophobicContact CB-CE1 3.52Å; C375-F385 HydrophobicContact CB-CZ 3.9Å; C375-F385 VanDerWaalsContact SG-CZ 3.54Å; P383-F385 HydrophobicContact CB-CE2 3.95Å; P383-F385 HydrophobicContact CG-CE2 3.9Å |
| 386 | D | 80.8 | Confident | 70.7 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.3 | 177.2 | -58.9 | -25.8 | 0 | 0 | 0 | 109.6 | W373 R374 C388 | W373-D386 CarbonylContact C-O 3.47Å; W373-D386 WeakPolarHBondContact CA-O 3.1Å; R374-D386 IonicContact CZ-OD2 2.8Å; R374-D386 PolarHBondContact N-O 3.09Å; R374-D386 IonicContact NE-OD2 3.96Å; R374-D386 IonicContact NH2-OD2 3.86Å; R374-D386 PolarHBondContact NH2-OD2 2.63Å; R374-D386 PolarHBondContact O-N 2.91Å; D386-C388 PolarHBondContact O-N 2.71Å |
| 387 | L | 81.1 | Confident | 70.8 | Confident | 68 Ų | 68 | 62.6 Ų | 62.6 | 36% | 0.356 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.4 | 170.1 | -174.5 | 68.7 | 0 | 0 | 0 | 109.2 | E371 W373 T389 | E371-L387 HydrophobicContact CB-CD1 3.78Å; E371-L387 HydrophobicContact CG-CD1 4.03Å; W373-L387 HydrophobicContact CD2-CD1 4.17Å; W373-L387 HydrophobicContact CE3-CB 4.49Å; W373-L387 HydrophobicContact CG-CD1 4.44Å; W373-L387 HydrophobicContact CZ2-CD1 4.16Å; W373-L387 HydrophobicContact CZ3-CB 4.45Å; L387-T389 WeakPolarHBondContact CD1-OG1 3.43Å |
| 388 | C | 77.8 | Confident | 71.6 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 37% | 0.372 | 38% | 0.377 | S | S | . | . | trans | -94 | -28.1 | 179.7 | -76.3 | 0 | 0 | 0 | 0 | 113.3 | E372 R374 D386 | E372-C388 HydrophobicContact CB-CB 4.37Å; E372-C388 HydrophobicContact CG-CB 4.37Å; E372-C388 PolarHBondContact O-N 2.81Å; R374-C388 VanDerWaalsContact CB-SG 3.54Å; D386-C388 PolarHBondContact O-N 2.71Å | ||
| 389 | T | 68.1 | Low | 72.8 | Confident | 18 Ų | 18 | 60.9 Ų | 60.9 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -75.5 | 137.9 | 179.7 | 40.2 | 0 | 0 | 0 | 0 | 112 | M50 E372 L387 | M50-T389 HydrophobicContact CE-CG2 3.65Å; E372-T389 HydrophobicContact CB-CG2 3.73Å; E372-T389 PolarHBondContact N-OG1 3.42Å; L387-T389 WeakPolarHBondContact CD1-OG1 3.43Å |
| 390 | S | 61.7 | Low | 74.5 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 53% | 0.531 | 32% | 0.322 | S | S | . | . | trans | -75.5 | 144.6 | 170.7 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | V392 | S390-V392 PolarHBondContact O-N 3.45Š| ||
| 391 | D | 59.5 | Low | 76.1 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | trans | -71.7 | 44.2 | 177.8 | -78.4 | -35.1 | 0 | 0 | 0 | 113.2 | I393 | D391-I393 PolarHBondContact O-N 3.21Š| ||
| 392 | V | 62.5 | Low | 77.6 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 53% | 0.527 | 28% | 0.281 | S | S | . | . | trans | -76.4 | 109.2 | 175.5 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | S390 L394 | S390-V392 PolarHBondContact O-N 3.45Å; V392-L394 HydrophobicContact CG1-CD2 4.02Å; V392-L394 HydrophobicContact CG1-CG 4.2Å; V392-L394 PolarHBondContact O-N 3.29Å | ||
| 393 | I | 68.4 | Low | 78.9 | Confident | 42 Ų | 42 | 46 Ų | 46 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | trans | -76.3 | 88.3 | -178.8 | -48.4 | 176.1 | 0 | 0 | 0 | 108.9 | D391 G395 K421 L435 | D391-I393 PolarHBondContact O-N 3.21Å; I393-G395 VanDerWaalsContact CG2-O 3.28Å; I393-G395 WeakPolarHBondContact CG2-O 3.45Å; I393-K421 PolarHBondContact O-NZ 2.06Å; I393-L435 HydrophobicContact CD1-CD2 3.87Å | ||
| 394 | L | 74.8 | Confident | 80.1 | Confident | 50 Ų | 50 | 47.1 Ų | 47.1 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | trans | -78.6 | -42.1 | -179.3 | -60.6 | 154.4 | 0 | 0 | 0 | 111.8 | I19 W45 M50 V392 K421 W423 | I19-L394 HydrophobicContact CD1-CB 3.71Å; I19-L394 HydrophobicContact CD1-CD1 4.3Å; I19-L394 HydrophobicContact CG1-CB 4.3Å; W45-L394 HydrophobicContact CH2-CD1 4.07Å; W45-L394 HydrophobicContact CZ3-CD1 3.73Å; M50-L394 HydrophobicContact CB-CD1 3.81Å; M50-L394 HydrophobicContact CG-CD1 4.3Å; M50-L394 HydrophobicContact SD-CD1 4.43Å; V392-L394 HydrophobicContact CG1-CD2 4.02Å; V392-L394 HydrophobicContact CG1-CG 4.2Å; V392-L394 PolarHBondContact O-N 3.29Å; L394-K421 PolarHBondContact O-NZ 2.91Å; L394-W423 WeakPolarHBondContact O-CH2 3.48Å | ||
| 395 | G | 83.2 | Confident | 81 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -113.6 | 166.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N17 I393 K421 | N17-G395 WeakPolarHBondContact O-CA 3.35Å; N17-G395 VanDerWaalsContact OD1-CA 3.28Å; N17-G395 WeakPolarHBondContact OD1-CA 3.29Å; I393-G395 VanDerWaalsContact CG2-O 3.28Å; I393-G395 WeakPolarHBondContact CG2-O 3.45Å; G395-K421 VanDerWaalsContact CA-NZ 3.34Å; G395-K421 VanDerWaalsContact N-NZ 3.14Å; G395-K421 WeakPolarHBondContact O-CE 3.48Å; G395-K421 PolarHBondContact O-NZ 2.84Å |
| 396 | H | 89.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -69.6 | 136.3 | 166 | -72.1 | -71.3 | 0 | 0 | 0 | 108.8 | N17 N368 I400 S414 S416 C419 | N17-H396 PolarHBondContact OD1-CD2 3.46Å; N17-H396 PolarHBondContact OD1-N 3.42Å; N368-H396 PolarHBondContact ND2-O 2.91Å; H396-I400 HydrophobicContact CB-CG1 4.32Å; H396-S414 PolarHBondContact CE1-O 3.16Å; H396-S414 WeakPolarHBondContact NE2-CB 3.28Å; H396-S414 PolarHBondContact NE2-O 3.09Å; H396-S414 PolarHBondContact NE2-OG 2.93Å; H396-S416 WeakPolarHBondContact ND1-CB 3.41Å; H396-C419 PolarHBondContact CE1-O 3.45Å; H396-C419 PolarHBondContact ND1-SG 3.11Å | ||
| 397 | R | 84.6 | Confident | 82.1 | Confident | 69 Ų | 69 | 43.6 Ų | 43.6 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -82 | -30 | -179.2 | -64.9 | 179.7 | 177.1 | -174.7 | -3.4 | 112.9 | D367 E418 | D367-R397 WeakPolarHBondContact CA-O 3.41Å; D367-R397 HydrophobicContact CB-CB 4.25Å; D367-R397 WeakPolarHBondContact CB-O 3.46Å; D367-R397 WeakPolarHBondContact O-CA 3.28Å; R397-E418 WeakPolarHBondContact CD-OE2 3.4Å |
| 398 | T | 87.2 | Confident | 82.5 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -114.4 | 175.3 | -179.5 | 44.3 | 0 | 0 | 0 | 0 | 109.7 | S416 A417 H673 | T398-S416 WeakPolarHBondContact CB-OG 3.47Å; T398-S416 PolarHBondContact O-OG 2.79Å; T398-S416 VanDerWaalsContact O-OG 3.09Å; T398-S416 PolarHBondContact OG1-OG 2.86Å; T398-A417 PolarHBondContact OG1-N 3.25Å; T398-H673 VanDerWaalsContact C-CE1 3.42Å; T398-H673 PolarHBondContact O-CE1 3.29Å; T398-H673 PolarHBondContact O-ND1 2.84Å |
| 399 | H | 88.5 | Confident | 83 | Confident | 65 Ų | 65 | 42.6 Ų | 42.6 | 30% | 0.301 | 22% | 0.224 | S | C | . | . | trans | -68.7 | 137.5 | -178.2 | -42.4 | -69.2 | 0 | 0 | 0 | 110.3 | R401 S416 H671 H673 | H399-R401 PolarHBondContact O-N 3.38Å; H399-S416 PolarHBondContact O-OG 3.07Å; H399-S416 VanDerWaalsContact O-OG 3.13Å; H399-H671 AromaticContact CD2-CE1 3.3Å; H399-H671 PolarHBondContact CD2-CE1 3.38Å; H399-H671 AromaticContact CD2-ND1 3.65Å; H399-H671 AromaticContact CE1-CD2 3.78Å; H399-H671 AromaticContact CE1-CE1 3.04Å; H399-H671 PolarHBondContact CE1-CE1 3.46Å; H399-H671 AromaticContact CE1-ND1 3.62Å; H399-H671 AromaticContact CE1-NE2 3.13Å; H399-H671 PolarHBondContact CE1-NE2 3.02Å; H399-H671 AromaticContact CG-CE1 3.3Å; H399-H671 AromaticContact CG-CG 3.97Å; H399-H671 AromaticContact CG-ND1 3.2Å; H399-H671 AromaticContact ND1-CD2 3.69Å; H399-H671 AromaticContact ND1-CE1 3.15Å; H399-H671 PolarHBondContact ND1-CE1 3.13Å; H399-H671 AromaticContact ND1-CG 3.55Å; H399-H671 AromaticContact ND1-ND1 3.19Å; H399-H671 PolarHBondContact ND1-ND1 3.34Å; H399-H671 VanDerWaalsContact ND1-ND1 3.19Å; H399-H671 AromaticContact ND1-NE2 3.46Å; H399-H671 PolarHBondContact ND1-NE2 2.9Å; H399-H671 PolarHBondContact ND1-O 3.16Å; H399-H671 AromaticContact NE2-CE1 3.16Å; H399-H671 PolarHBondContact NE2-CE1 2.75Å; H399-H671 AromaticContact NE2-ND1 3.91Å; H399-H671 AromaticContact NE2-NE2 3.61Å; H399-H673 AromaticContact CE1-CE1 3.88Å; H399-H673 AromaticContact CE1-NE2 3.95Å; H399-H673 AromaticContact ND1-CE1 3.52Å; H399-H673 AromaticContact ND1-NE2 3.84Å | ||
| 400 | I | 91.4 | Very high | 84 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 128.9 | -179.7 | -55.1 | 125.1 | 0 | 0 | 0 | 108.5 | H396 T402 W655 A669 H673 I675 | H396-I400 HydrophobicContact CB-CG1 4.32Å; I400-T402 VanDerWaalsContact CG2-O 3.22Å; I400-T402 WeakPolarHBondContact CG2-O 3.41Å; I400-W655 WeakPolarHBondContact O-CB 3.34Å; I400-A669 HydrophobicContact CB-CB 3.96Å; I400-A669 HydrophobicContact CD1-CB 4.38Å; I400-A669 HydrophobicContact CG2-CB 3.64Å; I400-H673 WeakPolarHBondContact CD1-O 3.47Å; I400-I675 HydrophobicContact CD1-CD1 4.18Å; I400-I675 HydrophobicContact CD1-CG1 3.66Å; I400-I675 HydrophobicContact CG1-CD1 4.41Å; I400-I675 HydrophobicContact CG1-CG1 4.37Å |
| 401 | R | 91.2 | Very high | 85.5 | Confident | 95 Ų | 95 | 45.9 Ų | 45.9 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -26.2 | 178.4 | -68.4 | -58.7 | -160.7 | 179.4 | 3.4 | 112.8 | H399 G415 A439 W655 | H399-R401 PolarHBondContact O-N 3.38Å; R401-G415 PolarHBondContact N-O 2.98Å; R401-A439 WeakPolarHBondContact CB-O 3.02Å; R401-W655 VanDerWaalsContact NH1-CH2 3.33Å |
| 402 | T | 92 | Very high | 87.2 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 144.1 | -172.9 | 69.1 | 0 | 0 | 0 | 0 | 109.9 | I400 S414 G415 L440 S442 | I400-T402 VanDerWaalsContact CG2-O 3.22Å; I400-T402 WeakPolarHBondContact CG2-O 3.41Å; T402-S414 CarbonylContact O-C 3.5Å; T402-S414 VanDerWaalsContact O-CA 3.27Å; T402-S414 WeakPolarHBondContact O-CA 3.41Å; T402-G415 PolarHBondContact N-O 2.89Å; T402-G415 PolarHBondContact O-N 3.49Å; T402-G415 VanDerWaalsContact OG1-CA 3.25Å; T402-G415 WeakPolarHBondContact OG1-CA 3.31Å; T402-G415 PolarHBondContact OG1-N 3.41Å; T402-G415 VanDerWaalsContact OG1-N 3.07Å; T402-L440 WeakPolarHBondContact CG2-O 3.48Å; T402-S442 VanDerWaalsContact CB-OG 3.25Å; T402-S442 WeakPolarHBondContact CB-OG 3.23Å; T402-S442 PolarHBondContact OG1-OG 3.31Å |
| 403 | A | 93.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 138.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L413 A656 D658 L667 A669 | A403-L413 CarbonylContact C-O 3.55Å; A403-L413 WeakPolarHBondContact CA-O 3.19Å; A403-A656 HydrophobicContact CB-CB 4.25Å; A403-D658 WeakPolarHBondContact O-CB 3.42Å; A403-L667 HydrophobicContact CB-CD2 3.14Å; A403-A669 HydrophobicContact CB-CB 4.34Å |
| 404 | K | 93.8 | Very high | 89.8 | Confident | 34 Ų | 34 | 34.1 Ų | 34.1 | 15% | 0.148 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 139 | -176.8 | -73.5 | -59.8 | -176.8 | -179.9 | 0 | 111.8 | F412 L413 S442 F444 D658 | K404-F412 CarbonylContact O-C 3.1Å; K404-F412 VanDerWaalsContact O-CA 3.25Å; K404-F412 WeakPolarHBondContact O-CA 3.16Å; K404-F412 WeakPolarHBondContact O-CB 3.48Å; K404-L413 PolarHBondContact N-O 3.49Å; K404-L413 PolarHBondContact O-N 2.94Å; K404-S442 VanDerWaalsContact CG-O 3.23Å; K404-S442 WeakPolarHBondContact CG-O 3.45Å; K404-F444 HydrophobicContact CB-CD2 4.41Å; K404-F444 WeakPolarHBondContact O-CE2 3.45Å; K404-D658 VanDerWaalsContact CA-OD2 3.3Å; K404-D658 WeakPolarHBondContact CA-OD2 3.42Å; K404-D658 HydrophobicContact CD-CB 4.34Å; K404-D658 VanDerWaalsContact CD-CG 3.49Å; K404-D658 WeakPolarHBondContact CD-OD1 3.34Å; K404-D658 WeakPolarHBondContact CD-OD2 3.13Å; K404-D658 IonicContact NZ-OD1 3.96Å; K404-D658 PolarHBondContact NZ-OD1 2.67Å |
| 405 | F | 93.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 5% | 0.048 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 149.1 | 169.1 | -78.7 | -70.8 | 0 | 0 | 0 | 111.7 | F412 F444 D658 F665 L667 | F405-F412 HydrophobicContact CD1-CB 3.93Å; F405-F412 HydrophobicContact CE1-CB 4.26Å; F405-F444 VanDerWaalsContact O-CD2 3.28Å; F405-F444 WeakPolarHBondContact O-CD2 3.48Å; F405-D658 HydrophobicContact CD2-CB 4.32Å; F405-D658 PolarHBondContact N-OD2 3.27Å; F405-F665 HydrophobicContact CZ-CB 3.95Å; F405-L667 HydrophobicContact CD2-CB 4.26Å; F405-L667 HydrophobicContact CE1-CB 4.41Å; F405-L667 HydrophobicContact CE1-CD1 4.18Å; F405-L667 HydrophobicContact CE2-CB 3.38Å; F405-L667 HydrophobicContact CZ-CB 3.49Å; F405-L667 VanDerWaalsContact CZ-CB 3.49Å; F405-L667 HydrophobicContact CZ-CD1 4.01Å; F405-L667 HydrophobicContact CZ-CG 4.39Å |
| 406 | S | 92.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | trans | -67.4 | 159.3 | 161.5 | 59.2 | 0 | 0 | 0 | 0 | 110.1 | D408 N409 Q410 C411 | S406-D408 VanDerWaalsContact CB-OD1 3.3Å; S406-D408 WeakPolarHBondContact CB-OD1 3.22Å; S406-D408 PolarHBondContact O-N 3.2Å; S406-D408 PolarHBondContact OG-OD1 2.98Å; S406-N409 PolarHBondContact O-N 2.78Å; S406-N409 VanDerWaalsContact O-N 3.1Å; S406-N409 PolarHBondContact O-OD1 2.88Å; S406-N409 PolarHBondContact OG-N 2.78Å; S406-Q410 PolarHBondContact OG-N 3.27Å; S406-C411 WeakPolarHBondContact CB-O 3.45Å; S406-C411 PolarHBondContact N-O 2.91Å; S406-C411 PolarHBondContact OG-N 2.77Å; S406-C411 VanDerWaalsContact OG-N 3.16Å; S406-C411 PolarHBondContact OG-O 2.83Å | ||
| 407 | N | 88.7 | Confident | 90.7 | Very high | 67 Ų | 67 | 33.2 Ų | 33.2 | 36% | 0.358 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -33.9 | 178.8 | -66.7 | -58.2 | 0 | 0 | 0 | 112 | N409 D448 S661 | N407-N409 VanDerWaalsContact C-N 3.29Å; N407-D448 WeakPolarHBondContact CB-OD1 3.08Å; N407-D448 WeakPolarHBondContact CB-OD2 3.45Å; N407-D448 PolarHBondContact N-OD1 2.76Å; N407-D448 VanDerWaalsContact N-OD1 3.08Å; N407-D448 PolarHBondContact N-OD2 2.95Å; N407-D448 PolarHBondContact ND2-OD1 2.77Å; N407-S661 PolarHBondContact O-OG 2.89Å; N407-S661 VanDerWaalsContact O-OG 3.08Å |
| 408 | D | 89 | Confident | 90.7 | Very high | 80 Ų | 80 | 34.2 Ų | 34.2 | 43% | 0.428 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -7.1 | 175.9 | 72.7 | -0.2 | 0 | 0 | 0 | 114.7 | S406 Q410 D448 | S406-D408 VanDerWaalsContact CB-OD1 3.3Å; S406-D408 WeakPolarHBondContact CB-OD1 3.22Å; S406-D408 PolarHBondContact O-N 3.2Å; S406-D408 PolarHBondContact OG-OD1 2.98Å; D408-Q410 HydrophobicContact CB-CG 4.4Å; D408-Q410 PolarHBondContact O-N 3.12Å; D408-Q410 VanDerWaalsContact O-N 3.15Å; D408-Q410 PolarHBondContact OD1-N 3.08Å; D408-D448 PolarHBondContact N-OD2 3.29Å |
| 409 | N | 89.1 | Confident | 90.8 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 57.8 | 14.3 | -176.2 | -47.2 | -59.7 | 0 | 0 | 0 | 115.4 | S406 N407 C425 S660 S661 | S406-N409 PolarHBondContact O-N 2.78Å; S406-N409 VanDerWaalsContact O-N 3.1Å; S406-N409 PolarHBondContact O-OD1 2.88Å; S406-N409 PolarHBondContact OG-N 2.78Å; N407-N409 VanDerWaalsContact C-N 3.29Å; N409-C425 PolarHBondContact O-SG 2.89Å; N409-S660 WeakPolarHBondContact OD1-CA 3.17Å; N409-S660 VanDerWaalsContact OD1-CB 3.27Å; N409-S660 WeakPolarHBondContact OD1-CB 3.44Å; N409-S661 PolarHBondContact ND2-OG 3.46Å; N409-S661 PolarHBondContact OD1-N 2.59Å; N409-S661 PolarHBondContact OD1-OG 3.35Å |
| 410 | Q | 89.8 | Confident | 90.9 | Very high | 128 Ų | 128 | 29.6 Ų | 29.6 | 60% | 0.598 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -81.6 | -29.6 | 177 | -63.8 | -167.7 | -1.7 | 0 | 0 | 112.2 | S406 D408 C425 | S406-Q410 PolarHBondContact OG-N 3.27Å; D408-Q410 HydrophobicContact CB-CG 4.4Å; D408-Q410 PolarHBondContact O-N 3.12Å; D408-Q410 VanDerWaalsContact O-N 3.15Å; D408-Q410 PolarHBondContact OD1-N 3.08Å; Q410-C425 VanDerWaalsContact C-SG 3.51Å; Q410-C425 PolarHBondContact O-N 3.38Å; Q410-C425 PolarHBondContact O-SG 3.41Å |
| 411 | C | 92.6 | Very high | 90.9 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 23% | 0.23 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 159 | -180 | -63 | 0 | 0 | 0 | 0 | 110.9 | S406 I422 W423 | S406-C411 WeakPolarHBondContact CB-O 3.45Å; S406-C411 PolarHBondContact N-O 2.91Å; S406-C411 PolarHBondContact OG-N 2.77Å; S406-C411 VanDerWaalsContact OG-N 3.16Å; S406-C411 PolarHBondContact OG-O 2.83Å; C411-I422 HydrophobicContact CB-CG2 4.07Å; C411-W423 CarbonylContact C-O 3.57Å; C411-W423 WeakPolarHBondContact CA-O 3.36Å; C411-W423 VanDerWaalsContact CB-O 3.31Å; C411-W423 WeakPolarHBondContact CB-O 3.12Å |
| 412 | F | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.8 | 165.5 | 65.2 | -90.7 | 0 | 0 | 0 | 110.2 | K404 F405 I422 W423 M428 L667 I675 | K404-F412 CarbonylContact O-C 3.1Å; K404-F412 VanDerWaalsContact O-CA 3.25Å; K404-F412 WeakPolarHBondContact O-CA 3.16Å; K404-F412 WeakPolarHBondContact O-CB 3.48Å; F405-F412 HydrophobicContact CD1-CB 3.93Å; F405-F412 HydrophobicContact CE1-CB 4.26Å; F412-I422 WeakPolarHBondContact O-CA 3.39Å; F412-W423 HydrophobicContact CD1-CB 3.84Å; F412-W423 HydrophobicContact CD2-CB 3.9Å; F412-W423 AromaticContact CD2-CD1 3.69Å; F412-W423 HydrophobicContact CD2-CG 4.03Å; F412-W423 HydrophobicContact CE1-CB 3.4Å; F412-W423 VanDerWaalsContact CE1-CB 3.4Å; F412-W423 HydrophobicContact CE1-CG 4.19Å; F412-W423 HydrophobicContact CE2-CB 3.46Å; F412-W423 VanDerWaalsContact CE2-CB 3.46Å; F412-W423 AromaticContact CE2-CD1 3.26Å; F412-W423 HydrophobicContact CE2-CD2 4.2Å; F412-W423 AromaticContact CE2-CG 3.36Å; F412-W423 HydrophobicContact CE2-CG 3.36Å; F412-W423 HydrophobicContact CG-CB 4.09Å; F412-W423 HydrophobicContact CZ-CB 3.2Å; F412-W423 AromaticContact CZ-CD1 3.89Å; F412-W423 HydrophobicContact CZ-CD2 4.18Å; F412-W423 AromaticContact CZ-CG 3.48Å; F412-W423 HydrophobicContact CZ-CG 3.48Å; F412-W423 VanDerWaalsContact CZ-CG 3.48Å; F412-W423 PolarHBondContact N-O 3.46Å; F412-W423 PolarHBondContact O-N 2.83Å; F412-M428 HydrophobicContact CE1-SD 3.75Å; F412-M428 HydrophobicContact CZ-SD 4.09Å; F412-L667 HydrophobicContact CB-CD1 3.92Å; F412-L667 HydrophobicContact CD1-CD1 3.73Å; F412-L667 HydrophobicContact CD2-CD1 3.47Å; F412-L667 VanDerWaalsContact CD2-CD1 3.47Å; F412-L667 HydrophobicContact CE1-CD1 4.02Å; F412-L667 HydrophobicContact CE2-CD1 3.78Å; F412-L667 HydrophobicContact CG-CD1 3.43Å; F412-L667 VanDerWaalsContact CG-CD1 3.43Å; F412-L667 HydrophobicContact CZ-CD1 4.02Å; F412-I675 HydrophobicContact CE2-CD1 4.19Å; F412-I675 HydrophobicContact CE2-CG2 3.84Å; F412-I675 HydrophobicContact CZ-CG2 4.23Å |
| 413 | L | 93.5 | Very high | 91 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145 | 177.5 | -175.3 | 145.8 | 0 | 0 | 0 | 108.6 | A403 K404 V420 K421 I422 S442 F444 C451 | A403-L413 CarbonylContact C-O 3.55Å; A403-L413 WeakPolarHBondContact CA-O 3.19Å; K404-L413 PolarHBondContact N-O 3.49Å; K404-L413 PolarHBondContact O-N 2.94Å; L413-V420 HydrophobicContact CD1-CG1 3.72Å; L413-V420 HydrophobicContact CD2-CG1 3.75Å; L413-V420 HydrophobicContact CG-CG1 3.65Å; L413-K421 CarbonylContact C-O 3.54Å; L413-K421 WeakPolarHBondContact CA-O 3.34Å; L413-I422 HydrophobicContact CB-CG1 4.49Å; L413-I422 HydrophobicContact CD1-CD1 4.41Å; L413-I422 HydrophobicContact CD1-CG1 4.12Å; L413-I422 HydrophobicContact CG-CG1 4.36Å; L413-S442 WeakPolarHBondContact CD2-OG 3.46Å; L413-F444 HydrophobicContact CB-CD2 4.17Å; L413-F444 HydrophobicContact CB-CE1 4.33Å; L413-F444 HydrophobicContact CB-CE2 3.36Å; L413-F444 HydrophobicContact CB-CZ 3.48Å; L413-F444 VanDerWaalsContact CB-CZ 3.48Å; L413-F444 HydrophobicContact CD1-CE1 4.39Å; L413-F444 HydrophobicContact CD1-CZ 4.31Å; L413-C451 HydrophobicContact CD1-CB 3.38Å |
| 414 | S | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 134.7 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 109.2 | H396 T402 V420 K421 W423 | H396-S414 PolarHBondContact CE1-O 3.16Å; H396-S414 WeakPolarHBondContact NE2-CB 3.28Å; H396-S414 PolarHBondContact NE2-O 3.09Å; H396-S414 PolarHBondContact NE2-OG 2.93Å; T402-S414 CarbonylContact O-C 3.5Å; T402-S414 VanDerWaalsContact O-CA 3.27Å; T402-S414 WeakPolarHBondContact O-CA 3.41Å; S414-V420 CarbonylContact O-C 3.59Å; S414-V420 WeakPolarHBondContact O-CA 3.34Å; S414-K421 PolarHBondContact N-O 3.47Å; S414-K421 PolarHBondContact O-N 3.03Å; S414-K421 PolarHBondContact OG-O 2.91Å; S414-W423 PolarHBondContact OG-NE1 3.14Å |
| 415 | G | 90.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R401 T402 | R401-G415 PolarHBondContact N-O 2.98Å; T402-G415 PolarHBondContact N-O 2.89Å; T402-G415 PolarHBondContact O-N 3.49Å; T402-G415 VanDerWaalsContact OG1-CA 3.25Å; T402-G415 WeakPolarHBondContact OG1-CA 3.31Å; T402-G415 PolarHBondContact OG1-N 3.41Å; T402-G415 VanDerWaalsContact OG1-N 3.07Å |
| 416 | S | 89.2 | Confident | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 173.3 | 173.3 | -164.1 | 0 | 0 | 0 | 0 | 109.8 | H396 T398 H399 E418 C419 A439 | H396-S416 WeakPolarHBondContact ND1-CB 3.41Å; T398-S416 WeakPolarHBondContact CB-OG 3.47Å; T398-S416 PolarHBondContact O-OG 2.79Å; T398-S416 VanDerWaalsContact O-OG 3.09Å; T398-S416 PolarHBondContact OG1-OG 2.86Å; H399-S416 PolarHBondContact O-OG 3.07Å; H399-S416 VanDerWaalsContact O-OG 3.13Å; S416-E418 PolarHBondContact O-N 2.82Å; S416-C419 PolarHBondContact N-O 3.37Å; S416-C419 PolarHBondContact O-N 3.11Å; S416-A439 WeakPolarHBondContact O-CB 3.41Å; S416-A439 PolarHBondContact O-N 2.93Å |
| 417 | A | 86.3 | Confident | 90.1 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -61.4 | -16.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | T398 N438 | T398-A417 PolarHBondContact OG1-N 3.25Å; A417-N438 WeakPolarHBondContact O-CA 3.4Å; A417-N438 PolarHBondContact O-N 3.15Å |
| 418 | E | 84.6 | Confident | 90 | Very high | 90 Ų | 90 | 31 Ų | 31 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -122.6 | -15.5 | -177.4 | -62.1 | -179.3 | 179 | 0 | 0 | 113.6 | R397 S416 I436 | R397-E418 WeakPolarHBondContact CD-OE2 3.4Å; S416-E418 PolarHBondContact O-N 2.82Å; E418-I436 CarbonylContact C-O 3.58Å; E418-I436 VanDerWaalsContact CA-O 3.22Å; E418-I436 WeakPolarHBondContact CA-O 3.34Å; E418-I436 PolarHBondContact O-N 2.84Å |
| 419 | C | 88.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 152.6 | -174.1 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | H396 S416 T433 F434 | H396-C419 PolarHBondContact CE1-O 3.45Å; H396-C419 PolarHBondContact ND1-SG 3.11Å; S416-C419 PolarHBondContact N-O 3.37Å; S416-C419 PolarHBondContact O-N 3.11Å; C419-T433 HydrophobicContact CB-CG2 4.12Å; C419-F434 CarbonylContact C-O 3.59Å; C419-F434 WeakPolarHBondContact CA-O 3.47Å; C419-F434 VanDerWaalsContact CB-O 3.22Å; C419-F434 WeakPolarHBondContact CB-O 3.46Å |
| 420 | V | 90.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.3 | 168.1 | 170 | 0 | 0 | 0 | 0 | 108.3 | L413 S414 T433 F434 I436 A439 E453 | L413-V420 HydrophobicContact CD1-CG1 3.72Å; L413-V420 HydrophobicContact CD2-CG1 3.75Å; L413-V420 HydrophobicContact CG-CG1 3.65Å; S414-V420 CarbonylContact O-C 3.59Å; S414-V420 WeakPolarHBondContact O-CA 3.34Å; V420-T433 CarbonylContact O-C 3.47Å; V420-T433 WeakPolarHBondContact O-CA 3.12Å; V420-F434 HydrophobicContact CB-CB 4.34Å; V420-F434 HydrophobicContact CB-CD2 4.47Å; V420-F434 HydrophobicContact CG1-CD2 4.29Å; V420-F434 PolarHBondContact N-O 3.15Å; V420-F434 PolarHBondContact O-N 2.98Å; V420-I436 HydrophobicContact CB-CD1 3.79Å; V420-I436 HydrophobicContact CG2-CD1 3.53Å; V420-A439 HydrophobicContact CG2-CB 3.9Å; V420-E453 HydrophobicContact CG2-CB 4.46Å; V420-E453 HydrophobicContact CG2-CG 3.61Å; V420-E453 VanDerWaalsContact CG2-OE1 3.24Å; V420-E453 WeakPolarHBondContact CG2-OE1 3.31Å |
| 421 | K | 91.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.5 | -178.1 | -67.1 | -173.8 | 176.2 | -154.3 | 0 | 111.4 | I393 L394 G395 L413 S414 W423 R432 T433 | I393-K421 PolarHBondContact O-NZ 2.06Å; L394-K421 PolarHBondContact O-NZ 2.91Å; G395-K421 VanDerWaalsContact CA-NZ 3.34Å; G395-K421 VanDerWaalsContact N-NZ 3.14Å; G395-K421 WeakPolarHBondContact O-CE 3.48Å; G395-K421 PolarHBondContact O-NZ 2.84Å; L413-K421 CarbonylContact C-O 3.54Å; L413-K421 WeakPolarHBondContact CA-O 3.34Å; S414-K421 PolarHBondContact N-O 3.47Å; S414-K421 PolarHBondContact O-N 3.03Å; S414-K421 PolarHBondContact OG-O 2.91Å; K421-W423 HydrophobicContact CB-CZ2 4.27Å; K421-W423 HydrophobicContact CD-CZ2 3.76Å; K421-R432 WeakPolarHBondContact CA-O 3.11Å; K421-T433 HydrophobicContact CG-CG2 4.06Å |
| 422 | I | 92.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 131.7 | 173.9 | -61.7 | 175.2 | 0 | 0 | 0 | 108.5 | C411 F412 L413 V431 R432 F434 F444 I461 | C411-I422 HydrophobicContact CB-CG2 4.07Å; F412-I422 WeakPolarHBondContact O-CA 3.39Å; L413-I422 HydrophobicContact CB-CG1 4.49Å; L413-I422 HydrophobicContact CD1-CD1 4.41Å; L413-I422 HydrophobicContact CD1-CG1 4.12Å; L413-I422 HydrophobicContact CG-CG1 4.36Å; I422-V431 PolarHBondContact O-N 2.87Å; I422-R432 PolarHBondContact N-O 2.67Å; I422-F434 HydrophobicContact CD1-CE2 3.76Å; I422-F434 HydrophobicContact CD1-CZ 4.46Å; I422-F434 HydrophobicContact CG1-CE2 4.29Å; I422-F444 HydrophobicContact CD1-CE1 4.49Å; I422-I461 HydrophobicContact CD1-CB 4.09Å; I422-I461 HydrophobicContact CD1-CD1 3.72Å; I422-I461 HydrophobicContact CD1-CG1 3.46Å; I422-I461 VanDerWaalsContact CD1-CG1 3.46Å; I422-I461 HydrophobicContact CD1-CG2 3.61Å |
| 423 | W | 92.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 148.9 | -175.7 | -55.8 | 84.4 | 0 | 0 | 0 | 109.7 | C16 N17 L394 C411 F412 S414 K421 Q429 C430 | C16-W423 HydrophobicContact CB-CE3 4.15Å; C16-W423 HydrophobicContact CB-CZ3 4.02Å; N17-W423 HydrophobicContact CB-CH2 3.92Å; N17-W423 HydrophobicContact CB-CZ2 3.93Å; N17-W423 VanDerWaalsContact OD1-CZ2 3.3Å; N17-W423 WeakPolarHBondContact OD1-CZ2 2.99Å; L394-W423 WeakPolarHBondContact O-CH2 3.48Å; C411-W423 CarbonylContact C-O 3.57Å; C411-W423 WeakPolarHBondContact CA-O 3.36Å; C411-W423 VanDerWaalsContact CB-O 3.31Å; C411-W423 WeakPolarHBondContact CB-O 3.12Å; F412-W423 HydrophobicContact CD1-CB 3.84Å; F412-W423 HydrophobicContact CD2-CB 3.9Å; F412-W423 AromaticContact CD2-CD1 3.69Å; F412-W423 HydrophobicContact CD2-CG 4.03Å; F412-W423 HydrophobicContact CE1-CB 3.4Å; F412-W423 VanDerWaalsContact CE1-CB 3.4Å; F412-W423 HydrophobicContact CE1-CG 4.19Å; F412-W423 HydrophobicContact CE2-CB 3.46Å; F412-W423 VanDerWaalsContact CE2-CB 3.46Å; F412-W423 AromaticContact CE2-CD1 3.26Å; F412-W423 HydrophobicContact CE2-CD2 4.2Å; F412-W423 AromaticContact CE2-CG 3.36Å; F412-W423 HydrophobicContact CE2-CG 3.36Å; F412-W423 HydrophobicContact CG-CB 4.09Å; F412-W423 HydrophobicContact CZ-CB 3.2Å; F412-W423 AromaticContact CZ-CD1 3.89Å; F412-W423 HydrophobicContact CZ-CD2 4.18Å; F412-W423 AromaticContact CZ-CG 3.48Å; F412-W423 HydrophobicContact CZ-CG 3.48Å; F412-W423 VanDerWaalsContact CZ-CG 3.48Å; F412-W423 PolarHBondContact N-O 3.46Å; F412-W423 PolarHBondContact O-N 2.83Å; S414-W423 PolarHBondContact OG-NE1 3.14Å; K421-W423 HydrophobicContact CB-CZ2 4.27Å; K421-W423 HydrophobicContact CD-CZ2 3.76Å; W423-Q429 VanDerWaalsContact CA-O 3.29Å; W423-Q429 WeakPolarHBondContact CA-O 3.23Å; W423-Q429 VanDerWaalsContact CE3-C 3.45Å; W423-C430 HydrophobicContact CD2-CB 4.17Å; W423-C430 HydrophobicContact CE3-CB 3.83Å; W423-C430 VanDerWaalsContact CE3-N 3.29Å; W423-C430 HydrophobicContact CH2-CB 3.88Å; W423-C430 HydrophobicContact CZ2-CB 4.24Å; W423-C430 HydrophobicContact CZ3-CB 3.67Å |
| 424 | V | 92.3 | Very high | 88.9 | Confident | 40 Ų | 40 | 38.9 Ų | 38.9 | 24% | 0.242 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.1 | 167 | -173.9 | 0 | 0 | 0 | 0 | 108.6 | S426 M428 Q429 V431 | V424-S426 WeakPolarHBondContact CG1-OG 3.48Å; V424-S426 PolarHBondContact O-N 3.39Å; V424-M428 VanDerWaalsContact O-CA 3.24Å; V424-M428 WeakPolarHBondContact O-CA 3.48Å; V424-M428 PolarHBondContact O-N 2.61Å; V424-Q429 PolarHBondContact N-O 2.86Å; V424-Q429 VanDerWaalsContact N-O 3.07Å; V424-V431 HydrophobicContact CG2-CG2 3.29Å |
| 425 | C | 89.4 | Confident | 88.6 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.081 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -40.7 | -179.7 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | N409 Q410 M677 | N409-C425 PolarHBondContact O-SG 2.89Å; Q410-C425 VanDerWaalsContact C-SG 3.51Å; Q410-C425 PolarHBondContact O-N 3.38Å; Q410-C425 PolarHBondContact O-SG 3.41Å; C425-M677 HydrophobicContact CB-SD 4.21Å; C425-M677 WeakPolarHBondContact O-CE 3.29Å |
| 426 | S | 87.7 | Confident | 88.2 | Confident | 114 Ų | 114 | 46.2 Ų | 46.2 | 80% | 0.797 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -40.8 | -175 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | V424 | V424-S426 WeakPolarHBondContact CG1-OG 3.48Å; V424-S426 PolarHBondContact O-N 3.39Å |
| 427 | A | 86.7 | Confident | 87.8 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -14.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q429 | A427-Q429 HydrophobicContact CB-CB 4.39Å; A427-Q429 HydrophobicContact CB-CG 4.35Å; A427-Q429 PolarHBondContact O-N 3.41Å; A427-Q429 VanDerWaalsContact O-N 3.12Å |
| 428 | M | 85.7 | Confident | 87.6 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 14% | 0.138 | 31% | 0.305 | C | S | . | . | trans | 54.6 | 29.1 | -175.7 | -67 | -63.3 | -97.6 | 0 | 0 | 113.4 | C16 F412 V424 M677 | C16-M428 HydrophobicContact CB-CB 4.05Å; C16-M428 HydrophobicContact CB-CE 4.31Å; C16-M428 WeakPolarHBondContact CB-O 3.33Å; F412-M428 HydrophobicContact CE1-SD 3.75Å; F412-M428 HydrophobicContact CZ-SD 4.09Å; V424-M428 VanDerWaalsContact O-CA 3.24Å; V424-M428 WeakPolarHBondContact O-CA 3.48Å; V424-M428 PolarHBondContact O-N 2.61Å; M428-M677 HydrophobicContact CE-CB 3.78Å; M428-M677 HydrophobicContact SD-CE 4.09Å | ||
| 429 | Q | 86.2 | Confident | 87.6 | Confident | 136 Ų | 136 | 52.5 Ų | 52.5 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | trans | -106.1 | 145.7 | -179.9 | -74 | -179.3 | -8.9 | 0 | 0 | 111.9 | W423 V424 A427 | W423-Q429 VanDerWaalsContact CA-O 3.29Å; W423-Q429 WeakPolarHBondContact CA-O 3.23Å; W423-Q429 VanDerWaalsContact CE3-C 3.45Å; V424-Q429 PolarHBondContact N-O 2.86Å; V424-Q429 VanDerWaalsContact N-O 3.07Å; A427-Q429 HydrophobicContact CB-CB 4.39Å; A427-Q429 HydrophobicContact CB-CG 4.35Å; A427-Q429 PolarHBondContact O-N 3.41Å; A427-Q429 VanDerWaalsContact O-N 3.12Å | ||
| 430 | C | 87.9 | Confident | 87.5 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 123.9 | 176 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | W423 | W423-C430 HydrophobicContact CD2-CB 4.17Å; W423-C430 HydrophobicContact CE3-CB 3.83Å; W423-C430 VanDerWaalsContact CE3-N 3.29Å; W423-C430 HydrophobicContact CH2-CB 3.88Å; W423-C430 HydrophobicContact CZ2-CB 4.24Å; W423-C430 HydrophobicContact CZ3-CB 3.67Å |
| 431 | V | 87.6 | Confident | 87.4 | Confident | 70 Ų | 70 | 54 Ų | 54 | 42% | 0.424 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -44.1 | 178.4 | -170.9 | 0 | 0 | 0 | 0 | 111.2 | I422 V424 | I422-V431 PolarHBondContact O-N 2.87Å; V424-V431 HydrophobicContact CG2-CG2 3.29Å |
| 432 | R | 87.7 | Confident | 87.4 | Confident | 119 Ų | 119 | 54.1 Ų | 54.1 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 143.3 | -173.6 | -68.3 | -62.4 | -176.6 | -132.6 | 7.8 | 110.9 | K421 I422 F434 | K421-R432 WeakPolarHBondContact CA-O 3.11Å; I422-R432 PolarHBondContact N-O 2.67Å; R432-F434 HydrophobicContact CB-CE2 4.26Å; R432-F434 HydrophobicContact CB-CZ 4.45Å |
| 433 | T | 89.1 | Confident | 87.4 | Confident | 54 Ų | 54 | 55.4 Ų | 55.4 | 33% | 0.331 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 128.9 | 175.2 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | C419 V420 K421 | C419-T433 HydrophobicContact CB-CG2 4.12Å; V420-T433 CarbonylContact O-C 3.47Å; V420-T433 WeakPolarHBondContact O-CA 3.12Å; K421-T433 HydrophobicContact CG-CG2 4.06Å |
| 434 | F | 87.3 | Confident | 87.4 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 133.2 | 173 | -57.4 | -81.5 | 0 | 0 | 0 | 108.6 | C419 V420 I422 R432 I436 F459 | C419-F434 CarbonylContact C-O 3.59Å; C419-F434 WeakPolarHBondContact CA-O 3.47Å; C419-F434 VanDerWaalsContact CB-O 3.22Å; C419-F434 WeakPolarHBondContact CB-O 3.46Å; V420-F434 HydrophobicContact CB-CB 4.34Å; V420-F434 HydrophobicContact CB-CD2 4.47Å; V420-F434 HydrophobicContact CG1-CD2 4.29Å; V420-F434 PolarHBondContact N-O 3.15Å; V420-F434 PolarHBondContact O-N 2.98Å; I422-F434 HydrophobicContact CD1-CE2 3.76Å; I422-F434 HydrophobicContact CD1-CZ 4.46Å; I422-F434 HydrophobicContact CG1-CE2 4.29Å; R432-F434 HydrophobicContact CB-CE2 4.26Å; R432-F434 HydrophobicContact CB-CZ 4.45Å; F434-I436 HydrophobicContact CB-CD1 3.99Å; F434-I436 HydrophobicContact CB-CG1 4.19Å; F434-F459 HydrophobicContact CB-CD1 4.34Å; F434-F459 HydrophobicContact CB-CE1 4.17Å; F434-F459 HydrophobicContact CB-CZ 4.47Å; F434-F459 HydrophobicContact CD1-CB 4.22Å; F434-F459 AromaticContact CD1-CD1 3.44Å; F434-F459 HydrophobicContact CD1-CD1 3.44Å; F434-F459 VanDerWaalsContact CD1-CD1 3.44Å; F434-F459 HydrophobicContact CD1-CE1 4.01Å; F434-F459 AromaticContact CD1-CG 3.94Å; F434-F459 HydrophobicContact CD1-CG 3.94Å; F434-F459 HydrophobicContact CE1-CB 3.86Å; F434-F459 AromaticContact CE1-CD1 3.86Å; F434-F459 HydrophobicContact CE1-CD1 3.86Å; F434-F459 HydrophobicContact CE1-CG 4.11Å; F434-F459 HydrophobicContact CG-CD1 4Å; F434-F459 HydrophobicContact CG-CE1 4.33Å; F434-F459 HydrophobicContact CG-CG 4.25Å; F434-F459 HydrophobicContact CZ-CB 4.08Å |
| 435 | L | 86.1 | Confident | 87.2 | Confident | 135 Ų | 135 | 53.5 Ų | 53.5 | 71% | 0.707 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123 | 177.3 | -65.1 | 174 | 0 | 0 | 0 | 109.3 | I393 | I393-L435 HydrophobicContact CD1-CD2 3.87Å |
| 436 | I | 83.4 | Confident | 87 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | trans | -147.5 | 157.1 | -171 | -42.2 | 170.7 | 0 | 0 | 0 | 110.4 | E418 V420 F434 E453 I457 F459 | E418-I436 CarbonylContact C-O 3.58Å; E418-I436 VanDerWaalsContact CA-O 3.22Å; E418-I436 WeakPolarHBondContact CA-O 3.34Å; E418-I436 PolarHBondContact O-N 2.84Å; V420-I436 HydrophobicContact CB-CD1 3.79Å; V420-I436 HydrophobicContact CG2-CD1 3.53Å; F434-I436 HydrophobicContact CB-CD1 3.99Å; F434-I436 HydrophobicContact CB-CG1 4.19Å; I436-E453 HydrophobicContact CD1-CG 4.27Å; I436-E453 VanDerWaalsContact CD1-OE1 3.25Å; I436-E453 WeakPolarHBondContact CD1-OE1 3.36Å; I436-E453 VanDerWaalsContact CD1-OE2 3.27Å; I436-E453 WeakPolarHBondContact CD1-OE2 3.38Å; I436-E453 WeakPolarHBondContact CG2-OE1 3.47Å; I436-E453 WeakPolarHBondContact CG2-OE2 3.3Å; I436-I457 HydrophobicContact CG2-CD1 3.7Å; I436-F459 HydrophobicContact CD1-CD2 4.33Å; I436-F459 HydrophobicContact CD1-CE1 4.22Å; I436-F459 HydrophobicContact CD1-CE2 3.29Å; I436-F459 HydrophobicContact CD1-CZ 3.22Å; I436-F459 HydrophobicContact CG1-CE1 4.39Å; I436-F459 HydrophobicContact CG1-CE2 4.18Å; I436-F459 HydrophobicContact CG1-CZ 3.59Å | ||
| 437 | E | 80 | Confident | 86.8 | Confident | 176 Ų | 176 | 52.3 Ų | 52.3 | 82% | 0.822 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -94 | 105.2 | 174.3 | -65.5 | -177 | 178 | 0 | 0 | 109.7 | ||
| 438 | N | 82.8 | Confident | 86.7 | Confident | 81 Ų | 81 | 51.2 Ų | 51.2 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | trans | 62.5 | 80.8 | 170 | -160.8 | 23.7 | 0 | 0 | 0 | 117.4 | A417 L440 | A417-N438 WeakPolarHBondContact O-CA 3.4Å; A417-N438 PolarHBondContact O-N 3.15Å; N438-L440 PolarHBondContact O-N 3.46Å; N438-L440 VanDerWaalsContact O-N 3.16Å | ||
| 439 | A | 83.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -73.6 | 100.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R401 S416 V420 E453 | R401-A439 WeakPolarHBondContact CB-O 3.02Å; S416-A439 WeakPolarHBondContact O-CB 3.41Å; S416-A439 PolarHBondContact O-N 2.93Å; V420-A439 HydrophobicContact CG2-CB 3.9Å; A439-E453 VanDerWaalsContact CA-OE1 3.24Å; A439-E453 WeakPolarHBondContact CA-OE1 3.5Å; A439-E453 HydrophobicContact CB-CG 3.9Å; A439-E453 WeakPolarHBondContact CB-OE1 3.22Å | ||
| 440 | L | 87.2 | Confident | 86.9 | Confident | 30 Ų | 30 | 51.8 Ų | 51.8 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -93 | -33.6 | 173.2 | -73.1 | 174.4 | 0 | 0 | 0 | 114.1 | T402 N438 A476 I477 W478 | T402-L440 WeakPolarHBondContact CG2-O 3.48Å; N438-L440 PolarHBondContact O-N 3.46Å; N438-L440 VanDerWaalsContact O-N 3.16Å; L440-A476 HydrophobicContact CD1-CB 3.56Å; L440-I477 VanDerWaalsContact CB-O 3.28Å; L440-I477 WeakPolarHBondContact CB-O 3.37Å; L440-W478 HydrophobicContact CD2-CZ3 4.48Å |
| 441 | S | 88.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | trans | -139.9 | 147.8 | 179.1 | 48.5 | 0 | 0 | 0 | 0 | 109.2 | E453 G454 I477 I480 | S441-E453 CarbonylContact O-C 3.51Å; S441-E453 WeakPolarHBondContact O-CA 3.25Å; S441-G454 WeakPolarHBondContact O-CA 3.19Å; S441-G454 PolarHBondContact O-N 3.28Å; S441-I477 WeakPolarHBondContact OG-CG2 3.29Å; S441-I477 PolarHBondContact OG-O 3.32Å; S441-I480 WeakPolarHBondContact OG-CD1 2.95Å; S441-I480 WeakPolarHBondContact OG-CG1 3.49Å | ||
| 442 | S | 91.6 | Very high | 87 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 151.4 | 178.4 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | T402 K404 L413 V452 | T402-S442 VanDerWaalsContact CB-OG 3.25Å; T402-S442 WeakPolarHBondContact CB-OG 3.23Å; T402-S442 PolarHBondContact OG1-OG 3.31Å; K404-S442 VanDerWaalsContact CG-O 3.23Å; K404-S442 WeakPolarHBondContact CG-O 3.45Å; L413-S442 WeakPolarHBondContact CD2-OG 3.46Å; S442-V452 CarbonylContact C-O 3.51Å; S442-V452 VanDerWaalsContact CA-O 3.3Å; S442-V452 WeakPolarHBondContact CA-O 3.36Å |
| 443 | Q | 91.2 | Very high | 86.8 | Confident | 30 Ų | 30 | 41 Ų | 41 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 140.2 | -176.6 | -173 | 60.9 | 26.7 | 0 | 0 | 110.5 | V452 I480 L482 | Q443-V452 PolarHBondContact N-O 2.95Å; Q443-V452 PolarHBondContact O-N 3.19Å; Q443-I480 HydrophobicContact CB-CB 4.41Å; Q443-I480 HydrophobicContact CB-CG2 3.86Å; Q443-L482 HydrophobicContact CG-CB 4.5Å; Q443-L482 HydrophobicContact CG-CD1 4.22Å |
| 444 | F | 92.4 | Very high | 85.7 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 141.8 | 169.2 | -78 | -80.1 | 0 | 0 | 0 | 111.3 | K404 F405 L413 I422 C451 I461 L482 | K404-F444 HydrophobicContact CB-CD2 4.41Å; K404-F444 WeakPolarHBondContact O-CE2 3.45Å; F405-F444 VanDerWaalsContact O-CD2 3.28Å; F405-F444 WeakPolarHBondContact O-CD2 3.48Å; L413-F444 HydrophobicContact CB-CD2 4.17Å; L413-F444 HydrophobicContact CB-CE1 4.33Å; L413-F444 HydrophobicContact CB-CE2 3.36Å; L413-F444 HydrophobicContact CB-CZ 3.48Å; L413-F444 VanDerWaalsContact CB-CZ 3.48Å; L413-F444 HydrophobicContact CD1-CE1 4.39Å; L413-F444 HydrophobicContact CD1-CZ 4.31Å; I422-F444 HydrophobicContact CD1-CE1 4.49Å; F444-C451 HydrophobicContact CD1-CB 4.3Å; F444-I461 HydrophobicContact CD1-CD1 3.88Å; F444-I461 HydrophobicContact CE1-CD1 3.55Å; F444-L482 VanDerWaalsContact O-CD1 3.29Å; F444-L482 WeakPolarHBondContact O-CD1 3.17Å |
| 445 | V | 89.6 | Confident | 85.1 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -80.5 | 145.4 | 168.9 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | G447 D448 H450 V452 L458 I489 F503 L514 | V445-G447 PolarHBondContact O-N 2.92Å; V445-D448 PolarHBondContact O-N 2.85Å; V445-H450 HydrophobicContact CB-CB 3.88Å; V445-H450 WeakPolarHBondContact CB-O 3.36Å; V445-H450 HydrophobicContact CG1-CB 4.34Å; V445-H450 HydrophobicContact CG2-CB 3.84Å; V445-H450 PolarHBondContact N-O 3.48Å; V445-V452 HydrophobicContact CG2-CG2 3.71Å; V445-L458 HydrophobicContact CG2-CD1 3.87Å; V445-I489 HydrophobicContact CG2-CD1 4.31Å; V445-F503 HydrophobicContact CB-CE1 4.49Å; V445-F503 HydrophobicContact CB-CZ 4.47Å; V445-F503 HydrophobicContact CG1-CD1 4.35Å; V445-F503 HydrophobicContact CG1-CE1 3.7Å; V445-F503 HydrophobicContact CG1-CE2 4.41Å; V445-F503 HydrophobicContact CG1-CZ 3.73Å; V445-F503 HydrophobicContact CG2-CE1 4.05Å; V445-F503 HydrophobicContact CG2-CZ 4.33Å; V445-L514 HydrophobicContact CG1-CD2 4.23Å |
| 446 | P | 84.7 | Confident | 85 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 137.6 | 175.3 | 18.9 | -33.5 | 0 | 0 | 0 | 112.2 | D448 L482 Q486 F503 | P446-D448 VanDerWaalsContact C-N 3.34Å; P446-L482 HydrophobicContact CG-CD2 4.09Å; P446-Q486 HydrophobicContact CB-CB 3.92Å; P446-Q486 HydrophobicContact CB-CG 4.41Å; P446-Q486 HydrophobicContact CG-CB 4Å; P446-Q486 VanDerWaalsContact CG-O 3.32Å; P446-Q486 WeakPolarHBondContact CG-O 3.23Å; P446-F503 HydrophobicContact CG-CE2 3.92Å; P446-F503 HydrophobicContact CG-CZ 4.37Å |
| 447 | G | 83.7 | Confident | 85.1 | Confident | 68 Ų | 68 | 35.3 Ų | 35.3 | 70% | 0.701 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | 3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | V445 R449 | V445-G447 PolarHBondContact O-N 2.92Å; G447-R449 PolarHBondContact O-N 3.28Å |
| 448 | D | 83.7 | Confident | 85.6 | Confident | 30 Ų | 30 | 27 Ų | 27 | 16% | 0.16 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 55.5 | 14.5 | 167.6 | -55.5 | -19.9 | 0 | 0 | 0 | 115.6 | N407 D408 V445 P446 I461 | N407-D448 WeakPolarHBondContact CB-OD1 3.08Å; N407-D448 WeakPolarHBondContact CB-OD2 3.45Å; N407-D448 PolarHBondContact N-OD1 2.76Å; N407-D448 VanDerWaalsContact N-OD1 3.08Å; N407-D448 PolarHBondContact N-OD2 2.95Å; N407-D448 PolarHBondContact ND2-OD1 2.77Å; D408-D448 PolarHBondContact N-OD2 3.29Å; V445-D448 PolarHBondContact O-N 2.85Å; P446-D448 VanDerWaalsContact C-N 3.34Å; D448-I461 VanDerWaalsContact O-CD1 3.24Å; D448-I461 WeakPolarHBondContact O-CD1 3.41Å |
| 449 | R | 86.7 | Confident | 85.8 | Confident | 152 Ų | 152 | 23.5 Ų | 23.5 | 57% | 0.574 | 13% | 0.129 | S | C | * | . | S | Bend | trans | -86 | -30.3 | 176.8 | -178.4 | 173.8 | 179.2 | 156.4 | -0.1 | 112.7 | G447 D460 I461 | G447-R449 PolarHBondContact O-N 3.28Å; R449-D460 WeakPolarHBondContact CG-OD1 3.44Å; R449-D460 IonicContact NE-OD1 3.34Å; R449-D460 PolarHBondContact NE-OD1 2.97Å; R449-I461 WeakPolarHBondContact O-CB 3.5Å; R449-I461 VanDerWaalsContact O-CG1 3.3Å; R449-I461 WeakPolarHBondContact O-CG1 3.44Å; R449-I461 PolarHBondContact O-N 3.45Å |
| 450 | H | 90.1 | Very high | 86.1 | Confident | 23 Ų | 23 | 24 Ų | 24 | 11% | 0.106 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 153 | -176.9 | -55.1 | -58.8 | 0 | 0 | 0 | 110.9 | V445 L458 F459 D460 | V445-H450 HydrophobicContact CB-CB 3.88Å; V445-H450 WeakPolarHBondContact CB-O 3.36Å; V445-H450 HydrophobicContact CG1-CB 4.34Å; V445-H450 HydrophobicContact CG2-CB 3.84Å; V445-H450 PolarHBondContact N-O 3.48Å; H450-L458 HydrophobicContact CB-CD1 3.86Å; H450-F459 CarbonylContact C-O 3.49Å; H450-F459 WeakPolarHBondContact CA-O 3.19Å; H450-F459 VanDerWaalsContact CB-O 3.32Å; H450-F459 WeakPolarHBondContact CB-O 3.26Å; H450-D460 IonicContact CE1-OD1 3.34Å; H450-D460 PolarHBondContact CE1-OD1 3.05Å; H450-D460 IonicContact ND1-OD1 3.84Å; H450-D460 PolarHBondContact ND1-OD1 3.18Å |
| 451 | C | 88.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.5 | 170.6 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | L413 F444 L458 F459 I461 | L413-C451 HydrophobicContact CD1-CB 3.38Å; F444-C451 HydrophobicContact CD1-CB 4.3Å; C451-L458 WeakPolarHBondContact O-CA 3.49Å; C451-F459 PolarHBondContact N-O 2.79Å; C451-F459 PolarHBondContact O-N 2.88Å; C451-I461 HydrophobicContact CB-CD1 4.44Å |
| 452 | V | 89 | Confident | 86 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.1 | 178.4 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | S442 Q443 V445 L456 I457 L458 I480 I489 L516 | S442-V452 CarbonylContact C-O 3.51Å; S442-V452 VanDerWaalsContact CA-O 3.3Å; S442-V452 WeakPolarHBondContact CA-O 3.36Å; Q443-V452 PolarHBondContact N-O 2.95Å; Q443-V452 PolarHBondContact O-N 3.19Å; V445-V452 HydrophobicContact CG2-CG2 3.71Å; V452-L456 HydrophobicContact CG1-CD2 3.95Å; V452-I457 WeakPolarHBondContact CA-O 3.39Å; V452-L458 HydrophobicContact CG2-CD1 3.45Å; V452-L458 VanDerWaalsContact CG2-CD1 3.45Å; V452-I480 HydrophobicContact CG1-CD1 4.36Å; V452-I489 HydrophobicContact CB-CD1 4.11Å; V452-I489 HydrophobicContact CG1-CD1 4.42Å; V452-I489 HydrophobicContact CG2-CD1 3.61Å; V452-L516 HydrophobicContact CG1-CD1 4.44Å; V452-L516 HydrophobicContact CG2-CD1 4.16Å |
| 453 | E | 83.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 171.4 | -175 | -173.8 | -124.4 | -157.6 | 0 | 0 | 112.4 | V420 I436 A439 S441 M455 L456 I457 F459 | V420-E453 HydrophobicContact CG2-CB 4.46Å; V420-E453 HydrophobicContact CG2-CG 3.61Å; V420-E453 VanDerWaalsContact CG2-OE1 3.24Å; V420-E453 WeakPolarHBondContact CG2-OE1 3.31Å; I436-E453 HydrophobicContact CD1-CG 4.27Å; I436-E453 VanDerWaalsContact CD1-OE1 3.25Å; I436-E453 WeakPolarHBondContact CD1-OE1 3.36Å; I436-E453 VanDerWaalsContact CD1-OE2 3.27Å; I436-E453 WeakPolarHBondContact CD1-OE2 3.38Å; I436-E453 WeakPolarHBondContact CG2-OE1 3.47Å; I436-E453 WeakPolarHBondContact CG2-OE2 3.3Å; A439-E453 VanDerWaalsContact CA-OE1 3.24Å; A439-E453 WeakPolarHBondContact CA-OE1 3.5Å; A439-E453 HydrophobicContact CB-CG 3.9Å; A439-E453 WeakPolarHBondContact CB-OE1 3.22Å; S441-E453 CarbonylContact O-C 3.51Å; S441-E453 WeakPolarHBondContact O-CA 3.25Å; E453-M455 PolarHBondContact O-N 2.98Å; E453-L456 VanDerWaalsContact O-CA 3.24Å; E453-L456 WeakPolarHBondContact O-CA 3.29Å; E453-L456 PolarHBondContact O-N 2.81Å; E453-I457 PolarHBondContact N-O 2.97Å; E453-F459 HydrophobicContact CB-CE2 4.41Å |
| 454 | G | 65.3 | Low | 85.1 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 11.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | S441 I477 | S441-G454 WeakPolarHBondContact O-CA 3.19Å; S441-G454 PolarHBondContact O-N 3.28Å; G454-I477 WeakPolarHBondContact O-CB 3.27Å; G454-I477 WeakPolarHBondContact O-CD1 3.22Å; G454-I477 WeakPolarHBondContact O-CG1 3.39Å |
| 455 | M | 74.9 | Confident | 84.8 | Confident | 78 Ų | 78 | 35.4 Ų | 35.4 | 38% | 0.384 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 20.3 | 162.4 | -70.4 | -69.5 | -78.3 | 0 | 0 | 111.3 | E453 I457 I470 | E453-M455 PolarHBondContact O-N 2.98Å; M455-I457 VanDerWaalsContact C-N 3.34Å; M455-I457 HydrophobicContact CB-CD1 4.09Å; M455-I457 HydrophobicContact CB-CG1 4.17Å; M455-I457 PolarHBondContact O-N 2.82Å; M455-I470 VanDerWaalsContact O-O 3.08Å |
| 456 | L | 83.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 51.8 | -169.7 | -65 | 164.1 | 0 | 0 | 0 | 112.5 | V452 E453 I470 S472 I477 I480 F501 | V452-L456 HydrophobicContact CG1-CD2 3.95Å; E453-L456 VanDerWaalsContact O-CA 3.24Å; E453-L456 WeakPolarHBondContact O-CA 3.29Å; E453-L456 PolarHBondContact O-N 2.81Å; L456-I470 HydrophobicContact CB-CB 4.36Å; L456-I470 PolarHBondContact O-N 2.83Å; L456-S472 WeakPolarHBondContact CD1-OG 3.19Å; L456-I477 HydrophobicContact CD1-CD1 4.27Å; L456-I477 HydrophobicContact CG-CD1 3.96Å; L456-I480 HydrophobicContact CD2-CD1 4.48Å; L456-F501 HydrophobicContact CD1-CD2 4.1Å; L456-F501 HydrophobicContact CD1-CE1 4.02Å; L456-F501 HydrophobicContact CD1-CE2 3.41Å; L456-F501 VanDerWaalsContact CD1-CE2 3.41Å; L456-F501 HydrophobicContact CD1-CZ 3.37Å; L456-F501 HydrophobicContact CD2-CD2 4.34Å; L456-F501 HydrophobicContact CD2-CE2 4.38Å |
| 457 | I | 85.8 | Confident | 84.6 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.7 | 170.8 | -55.3 | 165.1 | 0 | 0 | 0 | 107.8 | I436 V452 E453 M455 F459 R466 Q468 E469 | I436-I457 HydrophobicContact CG2-CD1 3.7Å; V452-I457 WeakPolarHBondContact CA-O 3.39Å; E453-I457 PolarHBondContact N-O 2.97Å; M455-I457 VanDerWaalsContact C-N 3.34Å; M455-I457 HydrophobicContact CB-CD1 4.09Å; M455-I457 HydrophobicContact CB-CG1 4.17Å; M455-I457 PolarHBondContact O-N 2.82Å; I457-F459 HydrophobicContact CB-CE2 3.74Å; I457-F459 HydrophobicContact CB-CZ 3.95Å; I457-F459 HydrophobicContact CG2-CD2 4.17Å; I457-F459 HydrophobicContact CG2-CE1 3.88Å; I457-F459 HydrophobicContact CG2-CE2 3.45Å; I457-F459 VanDerWaalsContact CG2-CE2 3.45Å; I457-F459 HydrophobicContact CG2-CZ 3.27Å; I457-R466 HydrophobicContact CG2-CB 4.39Å; I457-Q468 WeakPolarHBondContact CA-O 3.37Å; I457-E469 HydrophobicContact CG1-CB 4.31Å; I457-E469 HydrophobicContact CG1-CG 4.03Å |
| 458 | L | 90.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.4 | 176.6 | -177 | 71.9 | 0 | 0 | 0 | 109.2 | V445 H450 C451 V452 L467 Q468 L514 L516 | V445-L458 HydrophobicContact CG2-CD1 3.87Å; H450-L458 HydrophobicContact CB-CD1 3.86Å; C451-L458 WeakPolarHBondContact O-CA 3.49Å; V452-L458 HydrophobicContact CG2-CD1 3.45Å; V452-L458 VanDerWaalsContact CG2-CD1 3.45Å; L458-L467 HydrophobicContact CD2-CB 4.21Å; L458-L467 HydrophobicContact CD2-CD1 3.93Å; L458-L467 HydrophobicContact CG-CB 4.36Å; L458-L467 HydrophobicContact CG-CD1 4.2Å; L458-L467 PolarHBondContact O-N 3.48Å; L458-Q468 HydrophobicContact CB-CB 4.44Å; L458-Q468 PolarHBondContact N-O 3.03Å; L458-L514 HydrophobicContact CD2-CB 4.33Å; L458-L514 HydrophobicContact CD2-CD2 4.09Å; L458-L514 WeakPolarHBondContact CD2-O 3.47Å; L458-L516 HydrophobicContact CB-CD1 4.41Å |
| 459 | F | 88.7 | Confident | 84.8 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 148.6 | 175.1 | -61.2 | -84 | 0 | 0 | 0 | 111.2 | F434 I436 H450 C451 E453 I457 R466 | F434-F459 HydrophobicContact CB-CD1 4.34Å; F434-F459 HydrophobicContact CB-CE1 4.17Å; F434-F459 HydrophobicContact CB-CZ 4.47Å; F434-F459 HydrophobicContact CD1-CB 4.22Å; F434-F459 AromaticContact CD1-CD1 3.44Å; F434-F459 HydrophobicContact CD1-CD1 3.44Å; F434-F459 VanDerWaalsContact CD1-CD1 3.44Å; F434-F459 HydrophobicContact CD1-CE1 4.01Å; F434-F459 AromaticContact CD1-CG 3.94Å; F434-F459 HydrophobicContact CD1-CG 3.94Å; F434-F459 HydrophobicContact CE1-CB 3.86Å; F434-F459 AromaticContact CE1-CD1 3.86Å; F434-F459 HydrophobicContact CE1-CD1 3.86Å; F434-F459 HydrophobicContact CE1-CG 4.11Å; F434-F459 HydrophobicContact CG-CD1 4Å; F434-F459 HydrophobicContact CG-CE1 4.33Å; F434-F459 HydrophobicContact CG-CG 4.25Å; F434-F459 HydrophobicContact CZ-CB 4.08Å; I436-F459 HydrophobicContact CD1-CD2 4.33Å; I436-F459 HydrophobicContact CD1-CE1 4.22Å; I436-F459 HydrophobicContact CD1-CE2 3.29Å; I436-F459 HydrophobicContact CD1-CZ 3.22Å; I436-F459 HydrophobicContact CG1-CE1 4.39Å; I436-F459 HydrophobicContact CG1-CE2 4.18Å; I436-F459 HydrophobicContact CG1-CZ 3.59Å; H450-F459 CarbonylContact C-O 3.49Å; H450-F459 WeakPolarHBondContact CA-O 3.19Å; H450-F459 VanDerWaalsContact CB-O 3.32Å; H450-F459 WeakPolarHBondContact CB-O 3.26Å; C451-F459 PolarHBondContact N-O 2.79Å; C451-F459 PolarHBondContact O-N 2.88Å; E453-F459 HydrophobicContact CB-CE2 4.41Å; I457-F459 HydrophobicContact CB-CE2 3.74Å; I457-F459 HydrophobicContact CB-CZ 3.95Å; I457-F459 HydrophobicContact CG2-CD2 4.17Å; I457-F459 HydrophobicContact CG2-CE1 3.88Å; I457-F459 HydrophobicContact CG2-CE2 3.45Å; I457-F459 VanDerWaalsContact CG2-CE2 3.45Å; I457-F459 HydrophobicContact CG2-CZ 3.27Å; F459-R466 HydrophobicContact CD1-CB 4.05Å; F459-R466 HydrophobicContact CE1-CB 3.83Å |
| 460 | D | 89.1 | Confident | 84.8 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125 | 166.2 | 179.3 | 37.3 | 0 | 0 | 0 | 110 | R449 H450 S463 G464 Q465 L467 | R449-D460 WeakPolarHBondContact CG-OD1 3.44Å; R449-D460 IonicContact NE-OD1 3.34Å; R449-D460 PolarHBondContact NE-OD1 2.97Å; H450-D460 IonicContact CE1-OD1 3.34Å; H450-D460 PolarHBondContact CE1-OD1 3.05Å; H450-D460 IonicContact ND1-OD1 3.84Å; H450-D460 PolarHBondContact ND1-OD1 3.18Å; D460-S463 VanDerWaalsContact CB-OG 3.3Å; D460-S463 WeakPolarHBondContact CB-OG 3.36Å; D460-S463 VanDerWaalsContact CG-OG 3.27Å; D460-S463 VanDerWaalsContact OD2-CB 3.32Å; D460-S463 WeakPolarHBondContact OD2-CB 3.06Å; D460-S463 PolarHBondContact OD2-OG 2.94Å; D460-G464 WeakPolarHBondContact O-CA 3.2Å; D460-G464 PolarHBondContact O-N 3.34Å; D460-Q465 PolarHBondContact N-O 2.79Å; D460-L467 HydrophobicContact CB-CD1 3.98Å; D460-L467 HydrophobicContact CB-CD2 4.26Å; D460-L467 HydrophobicContact CB-CG 4.07Å |
| 461 | I | 87.1 | Confident | 84.4 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -39.5 | -169.6 | -63.4 | 169.8 | 0 | 0 | 0 | 110.8 | I422 F444 D448 R449 C451 | I422-I461 HydrophobicContact CD1-CB 4.09Å; I422-I461 HydrophobicContact CD1-CD1 3.72Å; I422-I461 HydrophobicContact CD1-CG1 3.46Å; I422-I461 VanDerWaalsContact CD1-CG1 3.46Å; I422-I461 HydrophobicContact CD1-CG2 3.61Å; F444-I461 HydrophobicContact CD1-CD1 3.88Å; F444-I461 HydrophobicContact CE1-CD1 3.55Å; D448-I461 VanDerWaalsContact O-CD1 3.24Å; D448-I461 WeakPolarHBondContact O-CD1 3.41Å; R449-I461 WeakPolarHBondContact O-CB 3.5Å; R449-I461 VanDerWaalsContact O-CG1 3.3Å; R449-I461 WeakPolarHBondContact O-CG1 3.44Å; R449-I461 PolarHBondContact O-N 3.45Å; C451-I461 HydrophobicContact CB-CD1 4.44Å |
| 462 | A | 86.2 | Confident | 83.9 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 57% | 0.57 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -47.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 463 | S | 84.1 | Confident | 83.7 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -19.9 | -177.9 | 62.8 | 0 | 0 | 0 | 0 | 113.8 | D460 Q465 | D460-S463 VanDerWaalsContact CB-OG 3.3Å; D460-S463 WeakPolarHBondContact CB-OG 3.36Å; D460-S463 VanDerWaalsContact CG-OG 3.27Å; D460-S463 VanDerWaalsContact OD2-CB 3.32Å; D460-S463 WeakPolarHBondContact OD2-CB 3.06Å; D460-S463 PolarHBondContact OD2-OG 2.94Å; S463-Q465 PolarHBondContact O-N 3.12Å; S463-Q465 PolarHBondContact OG-N 2.91Å |
| 464 | G | 81.2 | Confident | 83.8 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 35% | 0.351 | 30% | 0.304 | S | S | . | . | trans | 70.6 | 11.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D460 | D460-G464 WeakPolarHBondContact O-CA 3.2Å; D460-G464 PolarHBondContact O-N 3.34Å | ||
| 465 | Q | 84.2 | Confident | 84.8 | Confident | 126 Ų | 126 | 59.4 Ų | 59.4 | 59% | 0.589 | 31% | 0.313 | S | S | * | . | trans | -97.3 | 144.9 | -174.6 | -65.2 | -175.4 | 1.1 | 0 | 0 | 112 | D460 S463 L467 | D460-Q465 PolarHBondContact N-O 2.79Å; S463-Q465 PolarHBondContact O-N 3.12Å; S463-Q465 PolarHBondContact OG-N 2.91Å; Q465-L467 PolarHBondContact O-N 3.42Å | ||
| 466 | R | 84.8 | Confident | 85.5 | Confident | 186 Ų | 186 | 57.6 Ų | 57.6 | 70% | 0.702 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 119.4 | 164.4 | 61.3 | -176.3 | -180 | 174.2 | -1.6 | 109 | I457 F459 | I457-R466 HydrophobicContact CG2-CB 4.39Å; F459-R466 HydrophobicContact CD1-CB 4.05Å; F459-R466 HydrophobicContact CE1-CB 3.83Å |
| 467 | L | 86.1 | Confident | 85.9 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -47.5 | -180 | -66.7 | -179.4 | 0 | 0 | 0 | 111.4 | L458 D460 Q465 I513 | L458-L467 HydrophobicContact CD2-CB 4.21Å; L458-L467 HydrophobicContact CD2-CD1 3.93Å; L458-L467 HydrophobicContact CG-CB 4.36Å; L458-L467 HydrophobicContact CG-CD1 4.2Å; L458-L467 PolarHBondContact O-N 3.48Å; D460-L467 HydrophobicContact CB-CD1 3.98Å; D460-L467 HydrophobicContact CB-CD2 4.26Å; D460-L467 HydrophobicContact CB-CG 4.07Å; Q465-L467 PolarHBondContact O-N 3.42Å; L467-I513 HydrophobicContact CD2-CG2 4.23Å |
| 468 | Q | 85.2 | Confident | 86.1 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 142.3 | -174 | -167.9 | -179.7 | 3.4 | 0 | 0 | 110.4 | I457 L458 I470 L516 | I457-Q468 WeakPolarHBondContact CA-O 3.37Å; L458-Q468 HydrophobicContact CB-CB 4.44Å; L458-Q468 PolarHBondContact N-O 3.03Å; Q468-I470 HydrophobicContact CG-CD1 4.44Å; Q468-I470 HydrophobicContact CG-CG1 3.96Å; Q468-L516 PolarHBondContact NE2-O 2.78Å |
| 469 | E | 87.4 | Confident | 86.2 | Confident | 97 Ų | 97 | 63.7 Ų | 63.7 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.7 | 170.5 | 176.5 | -179.2 | 162.2 | 0 | 0 | 107.8 | I457 K471 | I457-E469 HydrophobicContact CG1-CB 4.31Å; I457-E469 HydrophobicContact CG1-CG 4.03Å; E469-K471 WeakPolarHBondContact OE1-CE 3.48Å |
| 470 | I | 85.5 | Confident | 86.3 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | trans | -122.5 | 104.8 | 177.8 | -53.7 | -178.9 | 0 | 0 | 0 | 109.2 | M455 L456 Q468 S472 F501 L516 | M455-I470 VanDerWaalsContact O-O 3.08Å; L456-I470 HydrophobicContact CB-CB 4.36Å; L456-I470 PolarHBondContact O-N 2.83Å; Q468-I470 HydrophobicContact CG-CD1 4.44Å; Q468-I470 HydrophobicContact CG-CG1 3.96Å; I470-S472 VanDerWaalsContact C-N 3.33Å; I470-S472 PolarHBondContact O-N 3.47Å; I470-F501 HydrophobicContact CG2-CE1 4.41Å; I470-L516 HydrophobicContact CD1-CB 3.52Å; I470-L516 VanDerWaalsContact CD1-O 3.26Å; I470-L516 WeakPolarHBondContact CD1-O 3.37Å | ||
| 471 | K | 82 | Confident | 86.4 | Confident | 163 Ų | 163 | 63.6 Ų | 63.6 | 71% | 0.709 | 34% | 0.338 | S | S | * | . | trans | -75.2 | 86.2 | 169 | -62.7 | -173.6 | -179.8 | -173.5 | 0 | 109.5 | E469 | E469-K471 WeakPolarHBondContact OE1-CE 3.48Š| ||
| 472 | S | 77.5 | Confident | 86.6 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | trans | -98.1 | -30.5 | -176.9 | 75.1 | 0 | 0 | 0 | 0 | 113.6 | L456 I470 K499 F501 | L456-S472 WeakPolarHBondContact CD1-OG 3.19Å; I470-S472 VanDerWaalsContact C-N 3.33Å; I470-S472 PolarHBondContact O-N 3.47Å; S472-K499 PolarHBondContact O-NZ 2.89Å; S472-F501 WeakPolarHBondContact OG-CZ 3.35Å | ||
| 473 | H | 85.9 | Confident | 86.9 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | trans | -113.5 | 147.9 | -174.7 | -69.6 | -75.5 | 0 | 0 | 0 | 111.4 | I477 S491 S493 D495 S497 K499 | H473-I477 HydrophobicContact CB-CG1 4.4Å; H473-S491 PolarHBondContact NE2-OG 2.89Å; H473-S493 PolarHBondContact CE1-OG 2.93Å; H473-S493 PolarHBondContact ND1-OG 3.3Å; H473-D495 WeakPolarHBondContact CA-OD2 3.45Å; H473-D495 WeakPolarHBondContact CB-OD2 3.5Å; H473-D495 IonicContact CE1-OD1 3.4Å; H473-D495 IonicContact CE1-OD2 2.67Å; H473-D495 IonicContact CG-OD2 2.79Å; H473-D495 IonicContact ND1-OD1 3.48Å; H473-D495 PolarHBondContact ND1-OD1 3.37Å; H473-D495 IonicContact ND1-OD2 2.97Å; H473-D495 PolarHBondContact ND1-OD2 3.07Å; H473-S497 PolarHBondContact CE1-OG 2.8Å; H473-S497 VanDerWaalsContact CE1-OG 3.29Å; H473-S497 PolarHBondContact ND1-OG 2.79Å; H473-K499 WeakPolarHBondContact CE1-CD 3.38Å; H473-K499 VanDerWaalsContact CE1-CG 3.45Å; H473-K499 WeakPolarHBondContact CE1-CG 3.41Å; H473-K499 PolarHBondContact ND1-NZ 3.49Å | ||
| 474 | D | 85.3 | Confident | 87.1 | Confident | 170 Ų | 170 | 60.2 Ų | 60.2 | 91% | 0.909 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -86.7 | -21.4 | 176.5 | -67.2 | -28.7 | 0 | 0 | 0 | 111.8 | D495 | D474-D495 PolarHBondContact N-OD2 2.67Š|
| 475 | G | 86.5 | Confident | 87.4 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 23% | 0.227 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -107.4 | 174.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 476 | A | 89.4 | Confident | 87.6 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | trans | -62.9 | 135.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L440 W478 S493 A494 | L440-A476 HydrophobicContact CD1-CB 3.56Å; A476-W478 PolarHBondContact O-N 2.98Å; A476-S493 CarbonylContact O-C 3.59Å; A476-S493 WeakPolarHBondContact O-CA 3.41Å; A476-S493 WeakPolarHBondContact O-CB 3.49Å; A476-A494 PolarHBondContact O-N 3.48Å | ||
| 477 | I | 91.5 | Very high | 87.7 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 104.4 | 176.2 | -53.6 | -178.2 | 0 | 0 | 0 | 109.5 | L440 S441 G454 L456 H473 I480 C492 | L440-I477 VanDerWaalsContact CB-O 3.28Å; L440-I477 WeakPolarHBondContact CB-O 3.37Å; S441-I477 WeakPolarHBondContact OG-CG2 3.29Å; S441-I477 PolarHBondContact OG-O 3.32Å; G454-I477 WeakPolarHBondContact O-CB 3.27Å; G454-I477 WeakPolarHBondContact O-CD1 3.22Å; G454-I477 WeakPolarHBondContact O-CG1 3.39Å; L456-I477 HydrophobicContact CD1-CD1 4.27Å; L456-I477 HydrophobicContact CG-CD1 3.96Å; H473-I477 HydrophobicContact CB-CG1 4.4Å; I477-I480 HydrophobicContact CG2-CD1 4.21Å; I477-I480 HydrophobicContact CG2-CG1 3.78Å; I477-C492 CarbonylContact C-O 3.56Å; I477-C492 VanDerWaalsContact CA-O 3.26Å; I477-C492 WeakPolarHBondContact CA-O 3.03Å; I477-C492 VanDerWaalsContact CG2-O 3.26Å; I477-C492 WeakPolarHBondContact CG2-O 3.47Å |
| 478 | W | 90.9 | Very high | 88 | Confident | 100 Ų | 100 | 59.9 Ų | 59.9 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -34 | -177.8 | -68.2 | 115.5 | 0 | 0 | 0 | 113.6 | L440 A476 C492 V528 M529 | L440-W478 HydrophobicContact CD2-CZ3 4.48Å; A476-W478 PolarHBondContact O-N 2.98Å; W478-C492 PolarHBondContact N-O 2.99Å; W478-V528 VanDerWaalsContact CD1-O 3.23Å; W478-M529 VanDerWaalsContact CB-O 3.27Å; W478-M529 WeakPolarHBondContact CB-O 3.48Å; W478-M529 HydrophobicContact CD2-CE 3.95Å; W478-M529 HydrophobicContact CD2-SD 4.32Å; W478-M529 HydrophobicContact CE3-CE 4.24Å; W478-M529 HydrophobicContact CG-CE 4.41Å; W478-M529 HydrophobicContact CG-SD 4.37Å; W478-M529 HydrophobicContact CH2-CE 4.37Å; W478-M529 HydrophobicContact CZ2-CE 4.08Å; W478-M529 HydrophobicContact CZ2-SD 4.43Å; W478-M529 HydrophobicContact CZ3-CE 4.44Å |
| 479 | N | 91.1 | Very high | 88.4 | Confident | 42 Ų | 42 | 57.7 Ų | 57.7 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 143 | -175.6 | -159 | -26.9 | 0 | 0 | 0 | 111.5 | C492 M531 | N479-C492 HydrophobicContact CB-CB 4.34Å; N479-C492 PolarHBondContact N-O 3.28Å; N479-C492 PolarHBondContact O-N 2.94Å; N479-M531 HydrophobicContact CB-CG 4.35Å; N479-M531 PolarHBondContact ND2-N 2.79Å; N479-M531 PolarHBondContact ND2-O 3.48Å |
| 480 | I | 92 | Very high | 88.6 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.5 | 174.1 | -65.7 | 169.3 | 0 | 0 | 0 | 106.6 | S441 Q443 V452 L456 I477 I489 A490 | S441-I480 WeakPolarHBondContact OG-CD1 2.95Å; S441-I480 WeakPolarHBondContact OG-CG1 3.49Å; Q443-I480 HydrophobicContact CB-CB 4.41Å; Q443-I480 HydrophobicContact CB-CG2 3.86Å; V452-I480 HydrophobicContact CG1-CD1 4.36Å; L456-I480 HydrophobicContact CD2-CD1 4.48Å; I477-I480 HydrophobicContact CG2-CD1 4.21Å; I477-I480 HydrophobicContact CG2-CG1 3.78Å; I480-I489 HydrophobicContact CG2-CG2 3.35Å; I480-A490 WeakPolarHBondContact CA-O 3.35Å |
| 481 | A | 91.5 | Very high | 89 | Confident | 16 Ų | 16 | 51.5 Ų | 51.5 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.5 | 180 | 0 | 0 | 0 | 0 | 0 | 110.7 | A490 M531 F533 | A481-A490 PolarHBondContact N-O 2.86Å; A481-A490 PolarHBondContact O-N 3.43Å; A481-M531 HydrophobicContact CB-CG 3.88Å; A481-M531 HydrophobicContact CB-SD 3.86Å; A481-F533 HydrophobicContact CB-CD2 3.8Å; A481-F533 HydrophobicContact CB-CE2 3.68Å |
| 482 | L | 91 | Very high | 89.4 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.1 | 174.2 | -141.2 | 107.1 | 0 | 0 | 0 | 109.7 | Q443 F444 P446 Q486 I489 F503 F533 | Q443-L482 HydrophobicContact CG-CB 4.5Å; Q443-L482 HydrophobicContact CG-CD1 4.22Å; F444-L482 VanDerWaalsContact O-CD1 3.29Å; F444-L482 WeakPolarHBondContact O-CD1 3.17Å; P446-L482 HydrophobicContact CG-CD2 4.09Å; L482-Q486 HydrophobicContact CD2-CB 3.85Å; L482-Q486 HydrophobicContact CD2-CG 3.81Å; L482-I489 HydrophobicContact CD1-CD1 4.35Å; L482-I489 HydrophobicContact CD1-CG1 3.89Å; L482-I489 HydrophobicContact CG-CG1 4.45Å; L482-F503 HydrophobicContact CD1-CZ 4.33Å; L482-F533 WeakPolarHBondContact O-CD2 3.28Å |
| 483 | T | 92 | Very high | 90.1 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | trans | -68.2 | 149.4 | 172 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | D485 Q486 E488 F500 F533 | T483-D485 PolarHBondContact O-N 2.9Å; T483-D485 VanDerWaalsContact O-N 3.15Å; T483-Q486 WeakPolarHBondContact O-CA 3.43Å; T483-Q486 PolarHBondContact O-N 3.1Å; T483-E488 HydrophobicContact CG2-CB 3.91Å; T483-E488 PolarHBondContact N-O 3.14Å; T483-E488 PolarHBondContact OG1-N 2.98Å; T483-E488 PolarHBondContact OG1-O 2.98Å; T483-E488 VanDerWaalsContact OG1-O 3.04Å; T483-F500 HydrophobicContact CG2-CD1 4.4Å; T483-F500 HydrophobicContact CG2-CE1 4.38Å; T483-F533 HydrophobicContact CG2-CE1 4.31Å; T483-F533 HydrophobicContact CG2-CE2 4.23Å; T483-F533 HydrophobicContact CG2-CZ 3.95Å | ||
| 484 | P | 88.4 | Confident | 90.3 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 30% | 0.299 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30.4 | -179.9 | -26.4 | 36.2 | 0 | 0 | 0 | 113.4 | Q486 F533 S534 | P484-Q486 PolarHBondContact O-N 3.01Å; P484-F533 HydrophobicContact CG-CB 4.03Å; P484-S534 WeakPolarHBondContact CG-O 3.41Å |
| 485 | D | 87.2 | Confident | 90.6 | Very high | 111 Ų | 111 | 36.4 Ų | 36.4 | 59% | 0.594 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.8 | 174.7 | -78.6 | 16.9 | 0 | 0 | 0 | 114.1 | T483 K487 | T483-D485 PolarHBondContact O-N 2.9Å; T483-D485 VanDerWaalsContact O-N 3.15Å; D485-K487 HydrophobicContact CB-CD 4.42Å; D485-K487 HydrophobicContact CB-CG 4.49Å; D485-K487 PolarHBondContact O-N 3.31Å |
| 486 | Q | 87.9 | Confident | 90.9 | Very high | 101 Ų | 101 | 39.3 Ų | 39.3 | 47% | 0.472 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 58.7 | 22.4 | -176.6 | -56.6 | -176.8 | -5.2 | 0 | 0 | 114.9 | P446 L482 T483 P484 | P446-Q486 HydrophobicContact CB-CB 3.92Å; P446-Q486 HydrophobicContact CB-CG 4.41Å; P446-Q486 HydrophobicContact CG-CB 4Å; P446-Q486 VanDerWaalsContact CG-O 3.32Å; P446-Q486 WeakPolarHBondContact CG-O 3.23Å; L482-Q486 HydrophobicContact CD2-CB 3.85Å; L482-Q486 HydrophobicContact CD2-CG 3.81Å; T483-Q486 WeakPolarHBondContact O-CA 3.43Å; T483-Q486 PolarHBondContact O-N 3.1Å; P484-Q486 PolarHBondContact O-N 3.01Å |
| 487 | K | 88.2 | Confident | 91.1 | Very high | 143 Ų | 143 | 38 Ų | 38 | 62% | 0.622 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -104.8 | -23.5 | -178.6 | -70.7 | 171.8 | -170.7 | 163 | 0 | 113.9 | D485 F503 | D485-K487 HydrophobicContact CB-CD 4.42Å; D485-K487 HydrophobicContact CB-CG 4.49Å; D485-K487 PolarHBondContact O-N 3.31Å; K487-F503 VanDerWaalsContact C-CD2 3.43Å; K487-F503 WeakPolarHBondContact O-CD2 3.26Å; K487-F503 PolarHBondContact O-N 3.38Å |
| 488 | E | 91.9 | Very high | 91.2 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.9 | -176.8 | -55.5 | -169.6 | 144.2 | 0 | 0 | 110.4 | T483 F501 S519 | T483-E488 HydrophobicContact CG2-CB 3.91Å; T483-E488 PolarHBondContact N-O 3.14Å; T483-E488 PolarHBondContact OG1-N 2.98Å; T483-E488 PolarHBondContact OG1-O 2.98Å; T483-E488 VanDerWaalsContact OG1-O 3.04Å; E488-F501 CarbonylContact C-O 3.58Å; E488-F501 WeakPolarHBondContact CA-O 3.4Å; E488-S519 PolarHBondContact OE1-OG 3.41Å; E488-S519 VanDerWaalsContact OE1-OG 3.05Å |
| 489 | I | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.1 | 167.3 | -66.4 | 176.8 | 0 | 0 | 0 | 107.4 | V445 V452 I480 L482 F500 F501 F503 L516 | V445-I489 HydrophobicContact CG2-CD1 4.31Å; V452-I489 HydrophobicContact CB-CD1 4.11Å; V452-I489 HydrophobicContact CG1-CD1 4.42Å; V452-I489 HydrophobicContact CG2-CD1 3.61Å; I480-I489 HydrophobicContact CG2-CG2 3.35Å; L482-I489 HydrophobicContact CD1-CD1 4.35Å; L482-I489 HydrophobicContact CD1-CG1 3.89Å; L482-I489 HydrophobicContact CG-CG1 4.45Å; I489-F500 CarbonylContact O-C 3.54Å; I489-F500 WeakPolarHBondContact O-CA 3.39Å; I489-F501 PolarHBondContact N-O 2.92Å; I489-F501 PolarHBondContact O-N 2.88Å; I489-F503 HydrophobicContact CD1-CE1 3.51Å; I489-F503 HydrophobicContact CD1-CZ 3.47Å; I489-F503 VanDerWaalsContact CD1-CZ 3.47Å; I489-F503 HydrophobicContact CG1-CE1 3.88Å; I489-F503 HydrophobicContact CG1-CE2 4.29Å; I489-F503 HydrophobicContact CG1-CZ 3.41Å; I489-F503 VanDerWaalsContact CG1-CZ 3.41Å; I489-L516 HydrophobicContact CD1-CD2 4.21Å |
| 490 | A | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I480 A481 V498 K499 F500 M531 F533 | I480-A490 WeakPolarHBondContact CA-O 3.35Å; A481-A490 PolarHBondContact N-O 2.86Å; A481-A490 PolarHBondContact O-N 3.43Å; A490-V498 HydrophobicContact CB-CG1 4.48Å; A490-K499 CarbonylContact C-O 3.59Å; A490-K499 WeakPolarHBondContact CA-O 3.17Å; A490-F500 HydrophobicContact CB-CD1 3.75Å; A490-F500 HydrophobicContact CB-CE1 3.65Å; A490-F500 HydrophobicContact CB-CG 4.26Å; A490-F500 HydrophobicContact CB-CZ 4.07Å; A490-M531 HydrophobicContact CB-CE 3.46Å; A490-M531 VanDerWaalsContact CB-CE 3.46Å; A490-M531 HydrophobicContact CB-SD 3.93Å; A490-F533 HydrophobicContact CB-CE2 3.9Å; A490-F533 HydrophobicContact CB-CZ 3.52Å |
| 491 | S | 93 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 139.6 | 175.5 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | H473 V498 K499 F501 | H473-S491 PolarHBondContact NE2-OG 2.89Å; S491-V498 CarbonylContact O-C 3.49Å; S491-V498 VanDerWaalsContact O-CA 3.3Å; S491-V498 WeakPolarHBondContact O-CA 3.47Å; S491-K499 PolarHBondContact N-O 2.79Å; S491-K499 PolarHBondContact O-N 3.19Å; S491-F501 WeakPolarHBondContact OG-CE2 3.35Å |
| 492 | C | 91.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.9 | 175.5 | -74.2 | 0 | 0 | 0 | 0 | 111.1 | I477 W478 N479 V498 V528 M531 | I477-C492 CarbonylContact C-O 3.56Å; I477-C492 VanDerWaalsContact CA-O 3.26Å; I477-C492 WeakPolarHBondContact CA-O 3.03Å; I477-C492 VanDerWaalsContact CG2-O 3.26Å; I477-C492 WeakPolarHBondContact CG2-O 3.47Å; W478-C492 PolarHBondContact N-O 2.99Å; N479-C492 HydrophobicContact CB-CB 4.34Å; N479-C492 PolarHBondContact N-O 3.28Å; N479-C492 PolarHBondContact O-N 2.94Å; C492-V498 VanDerWaalsContact SG-CG2 3.58Å; C492-V528 HydrophobicContact CB-CB 4.18Å; C492-V528 HydrophobicContact CB-CG1 3.62Å; C492-V528 VanDerWaalsContact SG-CG1 3.56Å; C492-M531 HydrophobicContact CB-SD 4.32Å; C492-M531 WeakPolarHBondContact SG-CB 3.49Å; C492-M531 PolarHBondContact SG-SD 3.14Å |
| 493 | S | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 164.6 | -173.2 | 41.3 | 0 | 0 | 0 | 0 | 113.4 | H473 A476 D495 S497 V528 | H473-S493 PolarHBondContact CE1-OG 2.93Å; H473-S493 PolarHBondContact ND1-OG 3.3Å; A476-S493 CarbonylContact O-C 3.59Å; A476-S493 WeakPolarHBondContact O-CA 3.41Å; A476-S493 WeakPolarHBondContact O-CB 3.49Å; S493-D495 WeakPolarHBondContact CB-OD1 3.37Å; S493-D495 PolarHBondContact O-N 3.46Å; S493-D495 VanDerWaalsContact O-N 3.15Å; S493-D495 VanDerWaalsContact OG-CG 3.27Å; S493-D495 PolarHBondContact OG-OD1 2.6Å; S493-S497 PolarHBondContact N-O 3.19Å; S493-S497 PolarHBondContact OG-O 2.84Å; S493-V528 PolarHBondContact O-N 2.8Å |
| 494 | A | 90.8 | Very high | 91.1 | Very high | 30 Ų | 30 | 34.9 Ų | 34.9 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 18.6 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | A476 D527 | A476-A494 PolarHBondContact O-N 3.48Å; A494-D527 VanDerWaalsContact C-OD1 3.25Å |
| 495 | D | 91.3 | Very high | 90.8 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 21.7 | 174.4 | 69.5 | -2.7 | 0 | 0 | 0 | 111.3 | H473 D474 S493 S497 K499 | H473-D495 WeakPolarHBondContact CA-OD2 3.45Å; H473-D495 WeakPolarHBondContact CB-OD2 3.5Å; H473-D495 IonicContact CE1-OD1 3.4Å; H473-D495 IonicContact CE1-OD2 2.67Å; H473-D495 IonicContact CG-OD2 2.79Å; H473-D495 IonicContact ND1-OD1 3.48Å; H473-D495 PolarHBondContact ND1-OD1 3.37Å; H473-D495 IonicContact ND1-OD2 2.97Å; H473-D495 PolarHBondContact ND1-OD2 3.07Å; D474-D495 PolarHBondContact N-OD2 2.67Å; S493-D495 WeakPolarHBondContact CB-OD1 3.37Å; S493-D495 PolarHBondContact O-N 3.46Å; S493-D495 VanDerWaalsContact O-N 3.15Å; S493-D495 VanDerWaalsContact OG-CG 3.27Å; S493-D495 PolarHBondContact OG-OD1 2.6Å; D495-S497 VanDerWaalsContact CG-OG 3.25Å; D495-S497 PolarHBondContact O-N 3.46Å; D495-S497 VanDerWaalsContact O-N 3.16Å; D495-S497 WeakPolarHBondContact OD1-CB 3.37Å; D495-S497 PolarHBondContact OD1-N 2.87Å; D495-S497 VanDerWaalsContact OD1-N 3.13Å; D495-S497 PolarHBondContact OD1-OG 3.35Å; D495-S497 PolarHBondContact OD2-OG 3.07Å; D495-K499 IonicContact OD2-NZ 2.6Å |
| 496 | H | 92.6 | Very high | 90.2 | Very high | 83 Ų | 83 | 39 Ų | 39 | 38% | 0.384 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 58.2 | 20.6 | -176.3 | -38.2 | -53.7 | 0 | 0 | 0 | 114.7 | V524 D526 D527 | H496-V524 WeakPolarHBondContact CB-O 3.48Å; H496-V524 PolarHBondContact O-N 2.97Å; H496-D526 WeakPolarHBondContact ND1-CA 3.29Å; H496-D527 IonicContact CE1-OD1 3.76Å; H496-D527 PolarHBondContact CE1-OD1 2.84Å; H496-D527 IonicContact CG-OD1 2.82Å; H496-D527 PolarHBondContact ND1-N 2.99Å; H496-D527 IonicContact ND1-OD1 3.72Å; H496-D527 PolarHBondContact ND1-OD1 3.05Å |
| 497 | S | 93.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 8% | 0.077 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.6 | -177.8 | 78.2 | 0 | 0 | 0 | 0 | 113.3 | H473 S493 D495 K499 L522 | H473-S497 PolarHBondContact CE1-OG 2.8Å; H473-S497 VanDerWaalsContact CE1-OG 3.29Å; H473-S497 PolarHBondContact ND1-OG 2.79Å; S493-S497 PolarHBondContact N-O 3.19Å; S493-S497 PolarHBondContact OG-O 2.84Å; D495-S497 VanDerWaalsContact CG-OG 3.25Å; D495-S497 PolarHBondContact O-N 3.46Å; D495-S497 VanDerWaalsContact O-N 3.16Å; D495-S497 WeakPolarHBondContact OD1-CB 3.37Å; D495-S497 PolarHBondContact OD1-N 2.87Å; D495-S497 VanDerWaalsContact OD1-N 3.13Å; D495-S497 PolarHBondContact OD1-OG 3.35Å; D495-S497 PolarHBondContact OD2-OG 3.07Å; S497-K499 WeakPolarHBondContact OG-CE 3.3Å; S497-L522 WeakPolarHBondContact CA-O 3.44Å |
| 498 | V | 93.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119.4 | 168.6 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | A490 S491 C492 F500 T521 L522 V524 V528 M531 | A490-V498 HydrophobicContact CB-CG1 4.48Å; S491-V498 CarbonylContact O-C 3.49Å; S491-V498 VanDerWaalsContact O-CA 3.3Å; S491-V498 WeakPolarHBondContact O-CA 3.47Å; C492-V498 VanDerWaalsContact SG-CG2 3.58Å; V498-F500 HydrophobicContact CG1-CE2 4.01Å; V498-F500 HydrophobicContact CG1-CZ 4.39Å; V498-T521 CarbonylContact O-C 3.47Å; V498-T521 WeakPolarHBondContact O-CA 3.47Å; V498-L522 HydrophobicContact CB-CB 4.21Å; V498-L522 PolarHBondContact N-O 3.32Å; V498-L522 PolarHBondContact O-N 3.32Å; V498-V524 HydrophobicContact CG2-CG2 4.4Å; V498-V528 HydrophobicContact CG2-CG1 4.31Å; V498-V528 HydrophobicContact CG2-CG2 4Å; V498-M531 HydrophobicContact CG1-CE 3.58Å |
| 499 | K | 93.6 | Very high | 84.9 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.4 | -177.1 | -70.6 | 179.8 | -168.3 | 161.6 | 0 | 110.9 | S472 H473 A490 S491 D495 S497 F501 T521 | S472-K499 PolarHBondContact O-NZ 2.89Å; H473-K499 WeakPolarHBondContact CE1-CD 3.38Å; H473-K499 VanDerWaalsContact CE1-CG 3.45Å; H473-K499 WeakPolarHBondContact CE1-CG 3.41Å; H473-K499 PolarHBondContact ND1-NZ 3.49Å; A490-K499 CarbonylContact C-O 3.59Å; A490-K499 WeakPolarHBondContact CA-O 3.17Å; S491-K499 PolarHBondContact N-O 2.79Å; S491-K499 PolarHBondContact O-N 3.19Å; D495-K499 IonicContact OD2-NZ 2.6Å; S497-K499 WeakPolarHBondContact OG-CE 3.3Å; K499-F501 HydrophobicContact CB-CE2 3.52Å; K499-F501 HydrophobicContact CB-CZ 3.8Å; K499-F501 HydrophobicContact CD-CZ 4.45Å; K499-T521 HydrophobicContact CG-CG2 3.76Å |
| 500 | F | 93.9 | Very high | 82.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.8 | 178.8 | -68 | -100.7 | 0 | 0 | 0 | 109.8 | T483 I489 A490 V498 H518 S519 R520 F533 L540 F557 | T483-F500 HydrophobicContact CG2-CD1 4.4Å; T483-F500 HydrophobicContact CG2-CE1 4.38Å; I489-F500 CarbonylContact O-C 3.54Å; I489-F500 WeakPolarHBondContact O-CA 3.39Å; A490-F500 HydrophobicContact CB-CD1 3.75Å; A490-F500 HydrophobicContact CB-CE1 3.65Å; A490-F500 HydrophobicContact CB-CG 4.26Å; A490-F500 HydrophobicContact CB-CZ 4.07Å; V498-F500 HydrophobicContact CG1-CE2 4.01Å; V498-F500 HydrophobicContact CG1-CZ 4.39Å; F500-H518 CarbonylContact O-C 3.59Å; F500-H518 WeakPolarHBondContact O-CA 3.5Å; F500-H518 PolarHBondContact O-CD2 2.75Å; F500-S519 WeakPolarHBondContact CB-OG 3.34Å; F500-S519 PolarHBondContact O-N 2.81Å; F500-S519 PolarHBondContact O-OG 3.04Å; F500-R520 HydrophobicContact CB-CB 4.24Å; F500-R520 HydrophobicContact CD2-CB 4.31Å; F500-R520 PolarHBondContact N-O 3.19Å; F500-F533 AromaticContact CE1-CE1 3.9Å; F500-F533 HydrophobicContact CE1-CE1 3.9Å; F500-F533 AromaticContact CE1-CZ 3.71Å; F500-F533 HydrophobicContact CE1-CZ 3.71Å; F500-F533 HydrophobicContact CZ-CE1 4.27Å; F500-F533 HydrophobicContact CZ-CZ 4.24Å; F500-L540 HydrophobicContact CZ-CD2 4.05Å; F500-F557 HydrophobicContact CD2-CE1 4.38Å; F500-F557 HydrophobicContact CD2-CE2 4.45Å; F500-F557 AromaticContact CD2-CZ 3.69Å; F500-F557 HydrophobicContact CD2-CZ 3.69Å; F500-F557 HydrophobicContact CE1-CE1 4.38Å; F500-F557 HydrophobicContact CE1-CZ 4.29Å; F500-F557 AromaticContact CE2-CE1 3.5Å; F500-F557 HydrophobicContact CE2-CE1 3.5Å; F500-F557 VanDerWaalsContact CE2-CE1 3.5Å; F500-F557 HydrophobicContact CE2-CE2 4.24Å; F500-F557 AromaticContact CE2-CZ 3.24Å; F500-F557 HydrophobicContact CE2-CZ 3.24Å; F500-F557 HydrophobicContact CG-CZ 4.4Å; F500-F557 AromaticContact CZ-CE1 3.51Å; F500-F557 HydrophobicContact CZ-CE1 3.51Å; F500-F557 AromaticContact CZ-CZ 3.6Å; F500-F557 HydrophobicContact CZ-CZ 3.6Å |
| 501 | F | 92.7 | Very high | 81.1 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 116 | -177.4 | -61.4 | -90.8 | 0 | 0 | 0 | 109.5 | L456 I470 S472 E488 I489 S491 K499 L516 V517 H518 | L456-F501 HydrophobicContact CD1-CD2 4.1Å; L456-F501 HydrophobicContact CD1-CE1 4.02Å; L456-F501 HydrophobicContact CD1-CE2 3.41Å; L456-F501 VanDerWaalsContact CD1-CE2 3.41Å; L456-F501 HydrophobicContact CD1-CZ 3.37Å; L456-F501 HydrophobicContact CD2-CD2 4.34Å; L456-F501 HydrophobicContact CD2-CE2 4.38Å; I470-F501 HydrophobicContact CG2-CE1 4.41Å; S472-F501 WeakPolarHBondContact OG-CZ 3.35Å; E488-F501 CarbonylContact C-O 3.58Å; E488-F501 WeakPolarHBondContact CA-O 3.4Å; I489-F501 PolarHBondContact N-O 2.92Å; I489-F501 PolarHBondContact O-N 2.88Å; S491-F501 WeakPolarHBondContact OG-CE2 3.35Å; K499-F501 HydrophobicContact CB-CE2 3.52Å; K499-F501 HydrophobicContact CB-CZ 3.8Å; K499-F501 HydrophobicContact CD-CZ 4.45Å; F501-L516 HydrophobicContact CB-CB 4.35Å; F501-L516 HydrophobicContact CB-CD2 4.12Å; F501-V517 CarbonylContact C-O 3.48Å; F501-V517 VanDerWaalsContact CA-O 3.3Å; F501-V517 WeakPolarHBondContact CA-O 3.4Å; F501-H518 HydrophobicContact CD1-CB 3.92Å; F501-H518 HydrophobicContact CE1-CB 3.71Å; F501-H518 AromaticContact CE1-CD2 3.8Å; F501-H518 AromaticContact CZ-CD2 3.79Å |
| 502 | G | 91.4 | Very high | 79.8 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 148.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V517 | G502-V517 PolarHBondContact N-O 3.15Å; G502-V517 PolarHBondContact O-N 3.42Å |
| 503 | F | 89 | Confident | 79 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 124.1 | 170.9 | -55.8 | -64.5 | 0 | 0 | 0 | 110.6 | V445 P446 L482 K487 I489 L514 L516 | V445-F503 HydrophobicContact CB-CE1 4.49Å; V445-F503 HydrophobicContact CB-CZ 4.47Å; V445-F503 HydrophobicContact CG1-CD1 4.35Å; V445-F503 HydrophobicContact CG1-CE1 3.7Å; V445-F503 HydrophobicContact CG1-CE2 4.41Å; V445-F503 HydrophobicContact CG1-CZ 3.73Å; V445-F503 HydrophobicContact CG2-CE1 4.05Å; V445-F503 HydrophobicContact CG2-CZ 4.33Å; P446-F503 HydrophobicContact CG-CE2 3.92Å; P446-F503 HydrophobicContact CG-CZ 4.37Å; L482-F503 HydrophobicContact CD1-CZ 4.33Å; K487-F503 VanDerWaalsContact C-CD2 3.43Å; K487-F503 WeakPolarHBondContact O-CD2 3.26Å; K487-F503 PolarHBondContact O-N 3.38Å; I489-F503 HydrophobicContact CD1-CE1 3.51Å; I489-F503 HydrophobicContact CD1-CZ 3.47Å; I489-F503 VanDerWaalsContact CD1-CZ 3.47Å; I489-F503 HydrophobicContact CG1-CE1 3.88Å; I489-F503 HydrophobicContact CG1-CE2 4.29Å; I489-F503 HydrophobicContact CG1-CZ 3.41Å; I489-F503 VanDerWaalsContact CG1-CZ 3.41Å; F503-L514 HydrophobicContact CB-CD2 4.37Å; F503-L514 HydrophobicContact CD1-CD2 3.56Å; F503-L514 HydrophobicContact CE1-CD2 4.19Å; F503-L514 HydrophobicContact CG-CD2 4.25Å; F503-L516 HydrophobicContact CD1-CD2 3.58Å; F503-L516 HydrophobicContact CE1-CD2 3.6Å |
| 504 | S | 85.9 | Confident | 78.5 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.1 | 171.8 | 73.7 | 0 | 0 | 0 | 0 | 110.4 | K506 S515 V517 | S504-K506 PolarHBondContact O-N 3.31Å; S504-S515 PolarHBondContact N-O 3.44Å; S504-S515 PolarHBondContact O-N 3.15Å; S504-S515 VanDerWaalsContact O-O 3.12Å; S504-S515 PolarHBondContact O-OG 2.71Å; S504-S515 PolarHBondContact OG-O 3Å; S504-S515 PolarHBondContact OG-OG 2.64Å; S504-V517 VanDerWaalsContact OG-CG2 3.26Å; S504-V517 WeakPolarHBondContact OG-CG2 3.36Å |
| 505 | L | 82.3 | Confident | 78.3 | Confident | 121 Ų | 121 | 52.8 Ų | 52.8 | 63% | 0.634 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.1 | 171.3 | -80.7 | 148.2 | 0 | 0 | 0 | 109.6 | G512 L514 | L505-G512 WeakPolarHBondContact CD2-O 3.35Å; L505-L514 HydrophobicContact CD2-CD1 4.47Å |
| 506 | K | 74.8 | Confident | 78.2 | Confident | 123 Ų | 123 | 51.3 Ų | 51.3 | 54% | 0.535 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.9 | 169 | -74.5 | 178.4 | -177 | 172.6 | 0 | 108.6 | S504 S508 I513 S515 | S504-K506 PolarHBondContact O-N 3.31Å; K506-S508 PolarHBondContact O-N 3.46Å; K506-S508 VanDerWaalsContact O-N 3.13Å; K506-I513 PolarHBondContact N-O 2.97Å; K506-I513 PolarHBondContact O-N 3.46Å; K506-S515 WeakPolarHBondContact CD-OG 3.41Å; K506-S515 WeakPolarHBondContact CE-OG 3.38Å |
| 507 | S | 60 | Low | 78 | Confident | 115 Ų | 115 | 50.8 Ų | 50.8 | 80% | 0.804 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 96.9 | 173 | -69.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 508 | S | 50.9 | Low | 77.9 | Confident | 61 Ų | 61 | 54.2 Ų | 54.2 | 43% | 0.427 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140 | 158.3 | 44.2 | 0 | 0 | 0 | 0 | 109.1 | K506 G510 G511 I513 | K506-S508 PolarHBondContact O-N 3.46Å; K506-S508 VanDerWaalsContact O-N 3.13Å; S508-G510 PolarHBondContact O-N 2.78Å; S508-G511 PolarHBondContact O-N 2.97Å; S508-I513 WeakPolarHBondContact OG-CD1 3.23Å |
| 509 | S | 45.5 | Very low | 77.7 | Confident | 134 Ų | 134 | 56.7 Ų | 56.7 | 94% | 0.937 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.7 | 103.5 | -170.5 | 47.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 510 | G | 49.4 | Very low | 77.5 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 94% | 0.938 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.4 | -13.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | S508 | S508-G510 PolarHBondContact O-N 2.78Š|
| 511 | G | 55.3 | Low | 77.5 | Confident | 46 Ų | 46 | 63.7 Ų | 63.7 | 47% | 0.474 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | 135 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S508 I513 | S508-G511 PolarHBondContact O-N 2.97Å; G511-I513 PolarHBondContact O-N 2.92Å |
| 512 | G | 66.1 | Low | 77.5 | Confident | 43 Ų | 43 | 64.4 Ų | 64.4 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 116.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L505 | L505-G512 WeakPolarHBondContact CD2-O 3.35Å |
| 513 | I | 74.1 | Confident | 77.5 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 39% | 0.39 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127 | 174.5 | -58.7 | 174.2 | 0 | 0 | 0 | 107 | L467 K506 S508 G511 S515 | L467-I513 HydrophobicContact CD2-CG2 4.23Å; K506-I513 PolarHBondContact N-O 2.97Å; K506-I513 PolarHBondContact O-N 3.46Å; S508-I513 WeakPolarHBondContact OG-CD1 3.23Å; G511-I513 PolarHBondContact O-N 2.92Å; I513-S515 PolarHBondContact O-N 2.82Å |
| 514 | L | 82.8 | Confident | 77.6 | Confident | 29 Ų | 29 | 65.9 Ų | 65.9 | 15% | 0.152 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 125.2 | 174.9 | -152.4 | 116.1 | 0 | 0 | 0 | 108.3 | V445 L458 F503 L505 | V445-L514 HydrophobicContact CG1-CD2 4.23Å; L458-L514 HydrophobicContact CD2-CB 4.33Å; L458-L514 HydrophobicContact CD2-CD2 4.09Å; L458-L514 WeakPolarHBondContact CD2-O 3.47Å; F503-L514 HydrophobicContact CB-CD2 4.37Å; F503-L514 HydrophobicContact CD1-CD2 3.56Å; F503-L514 HydrophobicContact CE1-CD2 4.19Å; F503-L514 HydrophobicContact CG-CD2 4.25Å; L505-L514 HydrophobicContact CD2-CD1 4.47Å |
| 515 | S | 86.2 | Confident | 77.9 | Confident | 6 Ų | 6 | 70.3 Ų | 70.3 | 4% | 0.042 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 145.2 | 174.9 | 70.9 | 0 | 0 | 0 | 0 | 110.7 | S504 K506 I513 | S504-S515 PolarHBondContact N-O 3.44Å; S504-S515 PolarHBondContact O-N 3.15Å; S504-S515 VanDerWaalsContact O-O 3.12Å; S504-S515 PolarHBondContact O-OG 2.71Å; S504-S515 PolarHBondContact OG-O 3Å; S504-S515 PolarHBondContact OG-OG 2.64Å; K506-S515 WeakPolarHBondContact CD-OG 3.41Å; K506-S515 WeakPolarHBondContact CE-OG 3.38Å; I513-S515 PolarHBondContact O-N 2.82Å |
| 516 | L | 87.9 | Confident | 78.4 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.3 | 174.5 | -68.2 | 167.7 | 0 | 0 | 0 | 109.4 | V452 L458 Q468 I470 I489 F501 F503 | V452-L516 HydrophobicContact CG1-CD1 4.44Å; V452-L516 HydrophobicContact CG2-CD1 4.16Å; L458-L516 HydrophobicContact CB-CD1 4.41Å; Q468-L516 PolarHBondContact NE2-O 2.78Å; I470-L516 HydrophobicContact CD1-CB 3.52Å; I470-L516 VanDerWaalsContact CD1-O 3.26Å; I470-L516 WeakPolarHBondContact CD1-O 3.37Å; I489-L516 HydrophobicContact CD1-CD2 4.21Å; F501-L516 HydrophobicContact CB-CB 4.35Å; F501-L516 HydrophobicContact CB-CD2 4.12Å; F503-L516 HydrophobicContact CD1-CD2 3.58Å; F503-L516 HydrophobicContact CE1-CD2 3.6Å |
| 517 | V | 90 | Very high | 79.3 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.2 | 175.5 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | F501 G502 S504 S519 | F501-V517 CarbonylContact C-O 3.48Å; F501-V517 VanDerWaalsContact CA-O 3.3Å; F501-V517 WeakPolarHBondContact CA-O 3.4Å; G502-V517 PolarHBondContact N-O 3.15Å; G502-V517 PolarHBondContact O-N 3.42Å; S504-V517 VanDerWaalsContact OG-CG2 3.26Å; S504-V517 WeakPolarHBondContact OG-CG2 3.36Å; V517-S519 PolarHBondContact O-N 2.93Å |
| 518 | H | 90.3 | Very high | 81 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 38% | 0.384 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 120.9 | 176.3 | 178.2 | -99.2 | 0 | 0 | 0 | 110.8 | F500 F501 R520 T521 | F500-H518 CarbonylContact O-C 3.59Å; F500-H518 WeakPolarHBondContact O-CA 3.5Å; F500-H518 PolarHBondContact O-CD2 2.75Å; F501-H518 HydrophobicContact CD1-CB 3.92Å; F501-H518 HydrophobicContact CE1-CB 3.71Å; F501-H518 AromaticContact CE1-CD2 3.8Å; F501-H518 AromaticContact CZ-CD2 3.79Å; H518-R520 PolarHBondContact NE2-O 2.77Å; H518-T521 PolarHBondContact CE1-OG1 2.88Å; H518-T521 PolarHBondContact NE2-OG1 3.21Å |
| 519 | S | 89 | Confident | 82.9 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -51 | -177.3 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | E488 F500 V517 | E488-S519 PolarHBondContact OE1-OG 3.41Å; E488-S519 VanDerWaalsContact OE1-OG 3.05Å; F500-S519 WeakPolarHBondContact CB-OG 3.34Å; F500-S519 PolarHBondContact O-N 2.81Å; F500-S519 PolarHBondContact O-OG 3.04Å; V517-S519 PolarHBondContact O-N 2.93Å |
| 520 | R | 91.2 | Very high | 85.2 | Confident | 112 Ų | 112 | 48.3 Ų | 48.3 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 152.9 | -171.6 | -51.7 | 179.4 | -170.8 | 176.9 | 3.6 | 111.6 | F500 H518 F557 | F500-R520 HydrophobicContact CB-CB 4.24Å; F500-R520 HydrophobicContact CD2-CB 4.31Å; F500-R520 PolarHBondContact N-O 3.19Å; H518-R520 PolarHBondContact NE2-O 2.77Å; R520-F557 HydrophobicContact CB-CE2 3.95Å; R520-F557 HydrophobicContact CB-CZ 4.44Å |
| 521 | T | 92.9 | Very high | 87.3 | Confident | 69 Ų | 69 | 44.2 Ų | 44.2 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133.9 | 172.6 | -48.4 | 0 | 0 | 0 | 0 | 109.5 | V498 K499 H518 | V498-T521 CarbonylContact O-C 3.47Å; V498-T521 WeakPolarHBondContact O-CA 3.47Å; K499-T521 HydrophobicContact CG-CG2 3.76Å; H518-T521 PolarHBondContact CE1-OG1 2.88Å; H518-T521 PolarHBondContact NE2-OG1 3.21Å |
| 522 | L | 92.6 | Very high | 89.1 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.7 | 168.6 | 173 | 63.5 | 0 | 0 | 0 | 108.2 | S497 V498 V524 L540 Y552 F557 | S497-L522 WeakPolarHBondContact CA-O 3.44Å; V498-L522 HydrophobicContact CB-CB 4.21Å; V498-L522 PolarHBondContact N-O 3.32Å; V498-L522 PolarHBondContact O-N 3.32Å; L522-V524 HydrophobicContact CD2-CG2 4.48Å; L522-V524 HydrophobicContact CG-CG2 4.19Å; L522-L540 HydrophobicContact CD2-CD2 3.85Å; L522-Y552 HydrophobicContact CD1-CE1 4.49Å; L522-Y552 HydrophobicContact CD2-CD2 4.06Å; L522-Y552 HydrophobicContact CD2-CE2 4.22Å; L522-Y552 HydrophobicContact CD2-CG 4.24Å; L522-F557 HydrophobicContact CD1-CB 3.9Å; L522-F557 HydrophobicContact CD1-CG 4.23Å; L522-F557 HydrophobicContact CD2-CD1 4.26Å |
| 523 | A | 92.6 | Very high | 90.5 | Very high | 81 Ų | 81 | 41.3 Ų | 41.3 | 67% | 0.669 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 524 | V | 91 | Very high | 91.5 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | trans | -116.1 | 167.3 | 177.3 | -161.9 | 0 | 0 | 0 | 0 | 108.7 | H496 V498 L522 D526 V528 L544 | H496-V524 WeakPolarHBondContact CB-O 3.48Å; H496-V524 PolarHBondContact O-N 2.97Å; V498-V524 HydrophobicContact CG2-CG2 4.4Å; L522-V524 HydrophobicContact CD2-CG2 4.48Å; L522-V524 HydrophobicContact CG-CG2 4.19Å; V524-D526 VanDerWaalsContact C-N 3.31Å; V524-D526 PolarHBondContact O-N 2.63Å; V524-V528 HydrophobicContact CB-CG2 4.31Å; V524-V528 HydrophobicContact CG2-CG2 4.11Å; V524-L544 HydrophobicContact CB-CD2 4.33Å; V524-L544 HydrophobicContact CG1-CD1 3.88Å; V524-L544 HydrophobicContact CG1-CD2 3.55Å; V524-L544 HydrophobicContact CG1-CG 4.33Å | ||
| 525 | N | 90.7 | Very high | 91.9 | Very high | 129 Ų | 129 | 39.5 Ų | 39.5 | 69% | 0.69 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -77 | -20 | -173.6 | -60.9 | -1.5 | 0 | 0 | 0 | 113.5 | K550 | N525-K550 PolarHBondContact ND2-NZ 2.87Š|
| 526 | D | 93.6 | Very high | 92.1 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -153.2 | 172.4 | -167.9 | -172.1 | 28.6 | 0 | 0 | 0 | 110.4 | H496 V524 V528 L545 D546 | H496-D526 WeakPolarHBondContact ND1-CA 3.29Å; V524-D526 VanDerWaalsContact C-N 3.31Å; V524-D526 PolarHBondContact O-N 2.63Å; D526-V528 PolarHBondContact O-N 2.81Å; D526-L545 VanDerWaalsContact OD2-CB 3.31Å; D526-L545 WeakPolarHBondContact OD2-CB 3.44Å; D526-L545 PolarHBondContact OD2-N 3.38Å; D526-D546 HydrophobicContact CB-CB 4.48Å; D526-D546 WeakPolarHBondContact CB-OD2 3.47Å; D526-D546 WeakPolarHBondContact OD2-CB 3.4Å; D526-D546 PolarHBondContact OD2-N 2.86Å |
| 527 | D | 94.1 | Very high | 92.2 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | trans | -59.5 | 129.8 | -176.9 | -74.7 | -11.5 | 0 | 0 | 0 | 112 | A494 H496 L544 L545 | A494-D527 VanDerWaalsContact C-OD1 3.25Å; H496-D527 IonicContact CE1-OD1 3.76Å; H496-D527 PolarHBondContact CE1-OD1 2.84Å; H496-D527 IonicContact CG-OD1 2.82Å; H496-D527 PolarHBondContact ND1-N 2.99Å; H496-D527 IonicContact ND1-OD1 3.72Å; H496-D527 PolarHBondContact ND1-OD1 3.05Å; D527-L544 CarbonylContact O-C 3.59Å; D527-L544 WeakPolarHBondContact O-CA 3.14Å; D527-L545 HydrophobicContact CB-CB 3.98Å; D527-L545 HydrophobicContact CB-CD2 4.26Å; D527-L545 PolarHBondContact O-N 3Å | ||
| 528 | V | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 111.2 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | W478 C492 S493 V498 V524 D526 V542 L544 | W478-V528 VanDerWaalsContact CD1-O 3.23Å; C492-V528 HydrophobicContact CB-CB 4.18Å; C492-V528 HydrophobicContact CB-CG1 3.62Å; C492-V528 VanDerWaalsContact SG-CG1 3.56Å; S493-V528 PolarHBondContact O-N 2.8Å; V498-V528 HydrophobicContact CG2-CG1 4.31Å; V498-V528 HydrophobicContact CG2-CG2 4Å; V524-V528 HydrophobicContact CB-CG2 4.31Å; V524-V528 HydrophobicContact CG2-CG2 4.11Å; D526-V528 PolarHBondContact O-N 2.81Å; V528-V542 HydrophobicContact CB-CG1 4.12Å; V528-V542 HydrophobicContact CG1-CG1 3.37Å; V528-V542 HydrophobicContact CG2-CG1 3.65Å; V528-L544 HydrophobicContact CG2-CD2 3.82Å |
| 529 | M | 92.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 16% | 0.163 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -39.2 | 179.9 | -63.6 | -57.5 | -62.5 | 0 | 0 | 112.2 | W478 G543 L545 I570 L571 | W478-M529 VanDerWaalsContact CB-O 3.27Å; W478-M529 WeakPolarHBondContact CB-O 3.48Å; W478-M529 HydrophobicContact CD2-CE 3.95Å; W478-M529 HydrophobicContact CD2-SD 4.32Å; W478-M529 HydrophobicContact CE3-CE 4.24Å; W478-M529 HydrophobicContact CG-CE 4.41Å; W478-M529 HydrophobicContact CG-SD 4.37Å; W478-M529 HydrophobicContact CH2-CE 4.37Å; W478-M529 HydrophobicContact CZ2-CE 4.08Å; W478-M529 HydrophobicContact CZ2-SD 4.43Å; W478-M529 HydrophobicContact CZ3-CE 4.44Å; M529-G543 PolarHBondContact N-O 3.26Å; M529-L545 HydrophobicContact SD-CD1 4.46Å; M529-I570 WeakPolarHBondContact CB-O 3.47Å; M529-L571 HydrophobicContact CE-CD2 4.47Å |
| 530 | C | 93 | Very high | 92.8 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 152.2 | -179.1 | 67.2 | 0 | 0 | 0 | 0 | 112.4 | G543 L571 | C530-G543 PolarHBondContact N-O 3.49Å; C530-G543 PolarHBondContact O-N 3.49Å; C530-L571 WeakPolarHBondContact CB-O 3.47Å |
| 531 | M | 93.4 | Very high | 93 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.1 | 168.7 | 72.6 | -176.1 | -38 | 0 | 0 | 111.7 | N479 A481 A490 C492 V498 F533 L540 A541 | N479-M531 HydrophobicContact CB-CG 4.35Å; N479-M531 PolarHBondContact ND2-N 2.79Å; N479-M531 PolarHBondContact ND2-O 3.48Å; A481-M531 HydrophobicContact CB-CG 3.88Å; A481-M531 HydrophobicContact CB-SD 3.86Å; A490-M531 HydrophobicContact CB-CE 3.46Å; A490-M531 VanDerWaalsContact CB-CE 3.46Å; A490-M531 HydrophobicContact CB-SD 3.93Å; C492-M531 HydrophobicContact CB-SD 4.32Å; C492-M531 WeakPolarHBondContact SG-CB 3.49Å; C492-M531 PolarHBondContact SG-SD 3.14Å; V498-M531 HydrophobicContact CG1-CE 3.58Å; M531-F533 HydrophobicContact CE-CE2 4.02Å; M531-F533 HydrophobicContact CE-CZ 3.76Å; M531-L540 HydrophobicContact CB-CD1 4.47Å; M531-L540 HydrophobicContact CE-CD1 3.54Å; M531-A541 WeakPolarHBondContact CA-O 3.47Å |
| 532 | C | 94 | Very high | 93.1 | Very high | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 147.1 | 167.4 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | A541 A573 | C532-A541 PolarHBondContact N-O 3.03Å; C532-A541 PolarHBondContact O-N 3.32Å; C532-A573 WeakPolarHBondContact CB-O 3.42Å |
| 533 | F | 94.4 | Very high | 93.2 | Very high | 23 Ų | 23 | 27.3 Ų | 27.3 | 10% | 0.101 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 144.3 | 175.3 | -70.4 | -69 | 0 | 0 | 0 | 110 | A481 L482 T483 P484 A490 F500 M531 L540 L554 | A481-F533 HydrophobicContact CB-CD2 3.8Å; A481-F533 HydrophobicContact CB-CE2 3.68Å; L482-F533 WeakPolarHBondContact O-CD2 3.28Å; T483-F533 HydrophobicContact CG2-CE1 4.31Å; T483-F533 HydrophobicContact CG2-CE2 4.23Å; T483-F533 HydrophobicContact CG2-CZ 3.95Å; P484-F533 HydrophobicContact CG-CB 4.03Å; A490-F533 HydrophobicContact CB-CE2 3.9Å; A490-F533 HydrophobicContact CB-CZ 3.52Å; F500-F533 AromaticContact CE1-CE1 3.9Å; F500-F533 HydrophobicContact CE1-CE1 3.9Å; F500-F533 AromaticContact CE1-CZ 3.71Å; F500-F533 HydrophobicContact CE1-CZ 3.71Å; F500-F533 HydrophobicContact CZ-CE1 4.27Å; F500-F533 HydrophobicContact CZ-CZ 4.24Å; M531-F533 HydrophobicContact CE-CE2 4.02Å; M531-F533 HydrophobicContact CE-CZ 3.76Å; F533-L540 HydrophobicContact CD1-CB 4.31Å; F533-L540 HydrophobicContact CD1-CD1 3.78Å; F533-L540 HydrophobicContact CE1-CB 4.27Å; F533-L540 HydrophobicContact CE1-CD1 3.44Å; F533-L540 VanDerWaalsContact CE1-CD1 3.44Å; F533-L540 HydrophobicContact CE1-CG 4.32Å; F533-L540 HydrophobicContact CZ-CD1 3.94Å; F533-L554 HydrophobicContact CD1-CD1 3.57Å; F533-L554 HydrophobicContact CE1-CD1 3.68Å; F533-L554 HydrophobicContact CE1-CG 4.49Å |
| 534 | S | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -68.8 | 135.9 | 166.6 | 59.1 | 0 | 0 | 0 | 0 | 109.7 | P484 N536 G537 S538 L539 | P484-S534 WeakPolarHBondContact CG-O 3.41Å; S534-N536 VanDerWaalsContact CB-OD1 3.26Å; S534-N536 WeakPolarHBondContact CB-OD1 3.49Å; S534-N536 PolarHBondContact O-N 3.31Å; S534-N536 VanDerWaalsContact O-N 3.07Å; S534-N536 PolarHBondContact OG-OD1 3.38Å; S534-G537 PolarHBondContact O-N 3.3Å; S534-S538 PolarHBondContact OG-N 3.04Å; S534-S538 VanDerWaalsContact OG-N 3.12Å; S534-L539 PolarHBondContact N-O 2.81Å; S534-L539 PolarHBondContact OG-N 3.25Å; S534-L539 PolarHBondContact OG-O 3.04Å; S534-L539 VanDerWaalsContact OG-O 3.07Å | ||
| 535 | P | 91.3 | Very high | 93.5 | Very high | 67 Ų | 67 | 26.3 Ų | 26.3 | 44% | 0.435 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.4 | 180 | -30.7 | 40.3 | 0 | 0 | 0 | 115 | G537 | P535-G537 VanDerWaalsContact C-N 3.32Š|
| 536 | N | 91 | Very high | 93.6 | Very high | 91 Ų | 91 | 24.6 Ų | 24.6 | 49% | 0.487 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.4 | 175.8 | 69.8 | 1.4 | 0 | 0 | 0 | 114.3 | S534 S538 S579 | S534-N536 VanDerWaalsContact CB-OD1 3.26Å; S534-N536 WeakPolarHBondContact CB-OD1 3.49Å; S534-N536 PolarHBondContact O-N 3.31Å; S534-N536 VanDerWaalsContact O-N 3.07Å; S534-N536 PolarHBondContact OG-OD1 3.38Å; N536-S538 VanDerWaalsContact C-N 3.32Å; N536-S538 VanDerWaalsContact CG-OG 3.23Å; N536-S538 PolarHBondContact ND2-OG 2.94Å; N536-S538 VanDerWaalsContact ND2-OG 3.11Å; N536-S538 PolarHBondContact O-N 3.13Å; N536-S538 WeakPolarHBondContact OD1-CB 3.4Å; N536-S538 PolarHBondContact OD1-N 2.93Å; N536-S538 PolarHBondContact OD1-OG 3.43Å; N536-S579 PolarHBondContact ND2-OG 3.12Å |
| 537 | G | 89.5 | Confident | 93.6 | Very high | 12 Ų | 12 | 25.8 Ų | 25.8 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 78.5 | 2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S534 P535 L554 | S534-G537 PolarHBondContact O-N 3.3Å; P535-G537 VanDerWaalsContact C-N 3.32Å; G537-L554 WeakPolarHBondContact O-CB 3.44Å |
| 538 | S | 91.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 25 Ų | 25 | 29% | 0.287 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -85.4 | -37.2 | -172.4 | 64 | 0 | 0 | 0 | 0 | 114.8 | S534 N536 F553 L554 | S534-S538 PolarHBondContact OG-N 3.04Å; S534-S538 VanDerWaalsContact OG-N 3.12Å; N536-S538 VanDerWaalsContact C-N 3.32Å; N536-S538 VanDerWaalsContact CG-OG 3.23Å; N536-S538 PolarHBondContact ND2-OG 2.94Å; N536-S538 VanDerWaalsContact ND2-OG 3.11Å; N536-S538 PolarHBondContact O-N 3.13Å; N536-S538 WeakPolarHBondContact OD1-CB 3.4Å; N536-S538 PolarHBondContact OD1-N 2.93Å; N536-S538 PolarHBondContact OD1-OG 3.43Å; S538-F553 WeakPolarHBondContact O-CA 3.47Å; S538-L554 PolarHBondContact O-N 3.45Å |
| 539 | L | 94.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.063 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 147.6 | -170 | -58.3 | 168.4 | 0 | 0 | 0 | 111.8 | S534 V551 Y552 F553 F560 L596 | S534-L539 PolarHBondContact N-O 2.81Å; S534-L539 PolarHBondContact OG-N 3.25Å; S534-L539 PolarHBondContact OG-O 3.04Å; S534-L539 VanDerWaalsContact OG-O 3.07Å; L539-V551 HydrophobicContact CB-CG1 4.05Å; L539-V551 HydrophobicContact CD1-CG1 4.41Å; L539-V551 HydrophobicContact CD2-CG1 4.01Å; L539-V551 HydrophobicContact CG-CG1 4.38Å; L539-Y552 CarbonylContact C-O 3.45Å; L539-Y552 WeakPolarHBondContact CA-O 3.12Å; L539-F553 HydrophobicContact CD2-CD1 3.76Å; L539-F553 HydrophobicContact CD2-CE1 3.73Å; L539-F553 HydrophobicContact CD2-CZ 4.48Å; L539-F560 HydrophobicContact CD2-CD1 3.73Å; L539-F560 HydrophobicContact CD2-CE1 4.18Å; L539-F560 HydrophobicContact CD2-CG 4.42Å; L539-L596 HydrophobicContact CD1-CB 4.45Å; L539-L596 HydrophobicContact CD1-CD1 4.48Å; L539-L596 HydrophobicContact CD1-CD2 4.45Å |
| 540 | L | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 120.4 | 170.2 | 166.4 | 70.9 | 0 | 0 | 0 | 107.4 | F500 L522 M531 F533 V542 V551 Y552 F557 | F500-L540 HydrophobicContact CZ-CD2 4.05Å; L522-L540 HydrophobicContact CD2-CD2 3.85Å; M531-L540 HydrophobicContact CB-CD1 4.47Å; M531-L540 HydrophobicContact CE-CD1 3.54Å; F533-L540 HydrophobicContact CD1-CB 4.31Å; F533-L540 HydrophobicContact CD1-CD1 3.78Å; F533-L540 HydrophobicContact CE1-CB 4.27Å; F533-L540 HydrophobicContact CE1-CD1 3.44Å; F533-L540 VanDerWaalsContact CE1-CD1 3.44Å; F533-L540 HydrophobicContact CE1-CG 4.32Å; F533-L540 HydrophobicContact CZ-CD1 3.94Å; L540-V542 HydrophobicContact CD1-CG2 4.39Å; L540-V542 HydrophobicContact CD2-CG2 4.14Å; L540-V542 HydrophobicContact CG-CG2 3.97Å; L540-V551 CarbonylContact O-C 3.54Å; L540-V551 WeakPolarHBondContact O-CA 3.2Å; L540-Y552 PolarHBondContact N-O 3.26Å; L540-Y552 PolarHBondContact O-N 3.08Å; L540-F557 HydrophobicContact CD2-CD1 4.49Å; L540-F557 HydrophobicContact CD2-CE1 4.33Å |
| 541 | A | 95.7 | Very high | 94 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | M531 C532 K550 V551 I575 I582 | M531-A541 WeakPolarHBondContact CA-O 3.47Å; C532-A541 PolarHBondContact N-O 3.03Å; C532-A541 PolarHBondContact O-N 3.32Å; A541-K550 WeakPolarHBondContact CA-O 3.28Å; A541-V551 HydrophobicContact CB-CG2 4.11Å; A541-I575 HydrophobicContact CB-CD1 4.06Å; A541-I582 HydrophobicContact CB-CD1 3.54Å |
| 542 | V | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 120.9 | -173.7 | -177.7 | 0 | 0 | 0 | 0 | 108 | V528 L540 L544 A549 K550 Y552 | V528-V542 HydrophobicContact CB-CG1 4.12Å; V528-V542 HydrophobicContact CG1-CG1 3.37Å; V528-V542 HydrophobicContact CG2-CG1 3.65Å; L540-V542 HydrophobicContact CD1-CG2 4.39Å; L540-V542 HydrophobicContact CD2-CG2 4.14Å; L540-V542 HydrophobicContact CG-CG2 3.97Å; V542-L544 HydrophobicContact CG1-CD2 4.05Å; V542-A549 CarbonylContact O-C 3.38Å; V542-A549 VanDerWaalsContact O-CA 3.31Å; V542-A549 WeakPolarHBondContact O-CA 3.03Å; V542-K550 PolarHBondContact N-O 2.96Å; V542-K550 PolarHBondContact O-N 3.34Å; V542-Y552 HydrophobicContact CB-CE2 4.38Å; V542-Y552 HydrophobicContact CG2-CD2 4.04Å; V542-Y552 HydrophobicContact CG2-CE2 4.13Å |
| 543 | G | 94.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M529 C530 | M529-G543 PolarHBondContact N-O 3.26Å; C530-G543 PolarHBondContact N-O 3.49Å; C530-G543 PolarHBondContact O-N 3.49Å |
| 544 | L | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 159 | -176.2 | -61 | 173.3 | 0 | 0 | 0 | 112.3 | V524 D527 V528 V542 D546 N547 T548 K550 | V524-L544 HydrophobicContact CB-CD2 4.33Å; V524-L544 HydrophobicContact CG1-CD1 3.88Å; V524-L544 HydrophobicContact CG1-CD2 3.55Å; V524-L544 HydrophobicContact CG1-CG 4.33Å; D527-L544 CarbonylContact O-C 3.59Å; D527-L544 WeakPolarHBondContact O-CA 3.14Å; V528-L544 HydrophobicContact CG2-CD2 3.82Å; V542-L544 HydrophobicContact CG1-CD2 4.05Å; L544-D546 HydrophobicContact CB-CB 4.31Å; L544-D546 PolarHBondContact O-N 2.69Å; L544-N547 PolarHBondContact O-N 2.91Å; L544-T548 PolarHBondContact N-O 3.04Å; L544-K550 HydrophobicContact CD1-CD 3.69Å; L544-K550 HydrophobicContact CD1-CG 4Å |
| 545 | L | 94.2 | Very high | 93.8 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 37% | 0.372 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28 | 171.4 | -173.2 | 72.1 | 0 | 0 | 0 | 111.9 | D526 D527 M529 N547 P569 | D526-L545 VanDerWaalsContact OD2-CB 3.31Å; D526-L545 WeakPolarHBondContact OD2-CB 3.44Å; D526-L545 PolarHBondContact OD2-N 3.38Å; D527-L545 HydrophobicContact CB-CB 3.98Å; D527-L545 HydrophobicContact CB-CD2 4.26Å; D527-L545 PolarHBondContact O-N 3Å; M529-L545 HydrophobicContact SD-CD1 4.46Å; L545-N547 PolarHBondContact O-N 2.8Å; L545-N547 PolarHBondContact O-OD1 3.04Å; L545-P569 HydrophobicContact CD1-CB 3.97Å; L545-P569 HydrophobicContact CD1-CG 3.75Å; L545-P569 WeakPolarHBondContact O-CG 3.38Å |
| 546 | D | 93.3 | Very high | 93.8 | Very high | 93 Ų | 93 | 34.4 Ų | 34.4 | 50% | 0.497 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 17.8 | 170.4 | -81.9 | -18.1 | 0 | 0 | 0 | 115.3 | D526 L544 T548 | D526-D546 HydrophobicContact CB-CB 4.48Å; D526-D546 WeakPolarHBondContact CB-OD2 3.47Å; D526-D546 WeakPolarHBondContact OD2-CB 3.4Å; D526-D546 PolarHBondContact OD2-N 2.86Å; L544-D546 HydrophobicContact CB-CB 4.31Å; L544-D546 PolarHBondContact O-N 2.69Å; D546-T548 PolarHBondContact O-N 3.2Å |
| 547 | N | 94.2 | Very high | 93.7 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | S | Bend | trans | 61.3 | 11.5 | -179.8 | -50 | -21.1 | 0 | 0 | 0 | 115.7 | L544 L545 S567 L568 P569 | L544-N547 PolarHBondContact O-N 2.91Å; L545-N547 PolarHBondContact O-N 2.8Å; L545-N547 PolarHBondContact O-OD1 3.04Å; N547-S567 PolarHBondContact ND2-O 2.84Å; N547-L568 VanDerWaalsContact CG-C 3.46Å; N547-L568 WeakPolarHBondContact OD1-CA 3.36Å; N547-L568 PolarHBondContact OD1-O 2.97Å; N547-P569 WeakPolarHBondContact OD1-CA 3.36Å; N547-P569 WeakPolarHBondContact OD1-CD 3.34Å; N547-P569 WeakPolarHBondContact OD1-CG 3.31Å |
| 548 | T | 95.2 | Very high | 93.9 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | trans | -114 | 148.5 | -177.3 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | L544 D546 Y564 | L544-T548 PolarHBondContact N-O 3.04Å; D546-T548 PolarHBondContact O-N 3.2Å; T548-Y564 HydrophobicContact CG2-CD1 3.54Å; T548-Y564 HydrophobicContact CG2-CE1 3.53Å; T548-Y564 HydrophobicContact CG2-CG 4.46Å | ||
| 549 | A | 95.1 | Very high | 94 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 122.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V542 L563 I570 T584 | V542-A549 CarbonylContact O-C 3.38Å; V542-A549 VanDerWaalsContact O-CA 3.31Å; V542-A549 WeakPolarHBondContact O-CA 3.03Å; A549-L563 HydrophobicContact CB-CB 4.18Å; A549-L563 HydrophobicContact CB-CD1 4.07Å; A549-L563 HydrophobicContact CB-CG 4.44Å; A549-L563 PolarHBondContact N-O 3.11Å; A549-L563 PolarHBondContact O-N 2.92Å; A549-I570 HydrophobicContact CB-CD1 3.59Å; A549-T584 HydrophobicContact CB-CG2 4.33Å |
| 550 | K | 95.3 | Very high | 94 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 132.3 | 176.5 | -66.2 | -174.7 | -174.4 | 160.9 | 0 | 109.7 | N525 A541 V542 L544 Y552 F559 L561 | N525-K550 PolarHBondContact ND2-NZ 2.87Å; A541-K550 WeakPolarHBondContact CA-O 3.28Å; V542-K550 PolarHBondContact N-O 2.96Å; V542-K550 PolarHBondContact O-N 3.34Å; L544-K550 HydrophobicContact CD1-CD 3.69Å; L544-K550 HydrophobicContact CD1-CG 4Å; K550-Y552 HydrophobicContact CB-CD2 4.42Å; K550-Y552 HydrophobicContact CB-CE2 3.61Å; K550-Y552 WeakPolarHBondContact CD-OH 3.2Å; K550-F559 HydrophobicContact CB-CE2 4.43Å; K550-F559 HydrophobicContact CD-CE2 4.44Å; K550-F559 HydrophobicContact CG-CE2 4.27Å; K550-L561 WeakPolarHBondContact CA-O 3.43Å |
| 551 | V | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.6 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 108.7 | L539 L540 A541 F560 L561 L563 L596 | L539-V551 HydrophobicContact CB-CG1 4.05Å; L539-V551 HydrophobicContact CD1-CG1 4.41Å; L539-V551 HydrophobicContact CD2-CG1 4.01Å; L539-V551 HydrophobicContact CG-CG1 4.38Å; L540-V551 CarbonylContact O-C 3.54Å; L540-V551 WeakPolarHBondContact O-CA 3.2Å; A541-V551 HydrophobicContact CB-CG2 4.11Å; V551-F560 HydrophobicContact CG1-CD1 4.13Å; V551-F560 WeakPolarHBondContact O-CA 3.23Å; V551-F560 WeakPolarHBondContact O-CB 3.37Å; V551-F560 PolarHBondContact O-N 3.44Å; V551-L561 HydrophobicContact CB-CB 4.24Å; V551-L561 HydrophobicContact CG2-CB 4.41Å; V551-L561 PolarHBondContact N-O 3.45Å; V551-L561 PolarHBondContact O-N 3.44Å; V551-L563 HydrophobicContact CG2-CD1 4.49Å; V551-L596 HydrophobicContact CG1-CD2 4.45Å; V551-L596 HydrophobicContact CG2-CD2 4.24Å |
| 552 | Y | 95.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 7% | 0.071 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 152.6 | -179.6 | -63.1 | -87.6 | 0 | 0 | 0 | 110 | L522 L539 L540 V542 K550 F557 K558 F559 | L522-Y552 HydrophobicContact CD1-CE1 4.49Å; L522-Y552 HydrophobicContact CD2-CD2 4.06Å; L522-Y552 HydrophobicContact CD2-CE2 4.22Å; L522-Y552 HydrophobicContact CD2-CG 4.24Å; L539-Y552 CarbonylContact C-O 3.45Å; L539-Y552 WeakPolarHBondContact CA-O 3.12Å; L540-Y552 PolarHBondContact N-O 3.26Å; L540-Y552 PolarHBondContact O-N 3.08Å; V542-Y552 HydrophobicContact CB-CE2 4.38Å; V542-Y552 HydrophobicContact CG2-CD2 4.04Å; V542-Y552 HydrophobicContact CG2-CE2 4.13Å; K550-Y552 HydrophobicContact CB-CD2 4.42Å; K550-Y552 HydrophobicContact CB-CE2 3.61Å; K550-Y552 WeakPolarHBondContact CD-OH 3.2Å; Y552-F557 WeakPolarHBondContact CD1-O 2.92Å; Y552-K558 WeakPolarHBondContact CA-O 3.39Å; Y552-F559 HydrophobicContact CD1-CB 4.24Å; Y552-F559 HydrophobicContact CE1-CB 4.07Å; Y552-F559 HydrophobicContact CE1-CD2 4.24Å |
| 553 | F | 95.4 | Very high | 93.9 | Very high | 78 Ų | 78 | 47.2 Ų | 47.2 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 131.3 | 165.3 | -71.1 | -72 | 0 | 0 | 0 | 110.4 | S538 L539 D555 F557 K558 F560 | S538-F553 WeakPolarHBondContact O-CA 3.47Å; L539-F553 HydrophobicContact CD2-CD1 3.76Å; L539-F553 HydrophobicContact CD2-CE1 3.73Å; L539-F553 HydrophobicContact CD2-CZ 4.48Å; F553-D555 PolarHBondContact O-N 2.85Å; F553-F557 WeakPolarHBondContact O-CA 3.32Å; F553-F557 PolarHBondContact O-N 3.32Å; F553-K558 HydrophobicContact CD2-CB 4.23Å; F553-K558 PolarHBondContact N-O 2.85Å; F553-F560 HydrophobicContact CD2-CB 4.05Å; F553-F560 HydrophobicContact CD2-CG 4.49Å; F553-F560 HydrophobicContact CE1-CG 4.49Å; F553-F560 HydrophobicContact CE2-CB 3.71Å; F553-F560 AromaticContact CE2-CD2 3.5Å; F553-F560 HydrophobicContact CE2-CD2 3.5Å; F553-F560 VanDerWaalsContact CE2-CD2 3.5Å; F553-F560 HydrophobicContact CE2-CE2 4.32Å; F553-F560 AromaticContact CE2-CG 3.73Å; F553-F560 HydrophobicContact CE2-CG 3.73Å; F553-F560 HydrophobicContact CZ-CB 4.17Å; F553-F560 HydrophobicContact CZ-CD1 4.34Å; F553-F560 AromaticContact CZ-CD2 3.44Å; F553-F560 HydrophobicContact CZ-CD2 3.44Å; F553-F560 VanDerWaalsContact CZ-CD2 3.44Å; F553-F560 AromaticContact CZ-CE2 3.85Å; F553-F560 HydrophobicContact CZ-CE2 3.85Å; F553-F560 AromaticContact CZ-CG 3.73Å; F553-F560 HydrophobicContact CZ-CG 3.73Å; F553-F560 HydrophobicContact CZ-CZ 4.46Å |
| 554 | L | 91.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -39.6 | -175.6 | -169 | 150.9 | 0 | 0 | 0 | 112.4 | F533 G537 S538 F557 | F533-L554 HydrophobicContact CD1-CD1 3.57Å; F533-L554 HydrophobicContact CE1-CD1 3.68Å; F533-L554 HydrophobicContact CE1-CG 4.49Å; G537-L554 WeakPolarHBondContact O-CB 3.44Å; S538-L554 PolarHBondContact O-N 3.45Å; L554-F557 WeakPolarHBondContact O-CE1 3.12Å |
| 555 | D | 89.7 | Confident | 93.6 | Very high | 132 Ų | 132 | 57.3 Ų | 57.3 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -40.9 | -175.6 | -70.6 | -20.3 | 0 | 0 | 0 | 113.6 | F553 | F553-D555 PolarHBondContact O-N 2.85Š|
| 556 | S | 91 | Very high | 93.7 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 44% | 0.441 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -8.1 | -169.7 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | K558 | S556-K558 PolarHBondContact O-N 3.3Å; S556-K558 WeakPolarHBondContact OG-CB 3.36Å; S556-K558 WeakPolarHBondContact OG-CG 3.26Å; S556-K558 PolarHBondContact OG-N 2.83Å |
| 557 | F | 90.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 54.1 Ų | 54.1 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | trans | 48.8 | 24.7 | -167.6 | -57.4 | -50.2 | 0 | 0 | 0 | 114.4 | F500 R520 L522 L540 Y552 F553 L554 F559 | F500-F557 HydrophobicContact CD2-CE1 4.38Å; F500-F557 HydrophobicContact CD2-CE2 4.45Å; F500-F557 AromaticContact CD2-CZ 3.69Å; F500-F557 HydrophobicContact CD2-CZ 3.69Å; F500-F557 HydrophobicContact CE1-CE1 4.38Å; F500-F557 HydrophobicContact CE1-CZ 4.29Å; F500-F557 AromaticContact CE2-CE1 3.5Å; F500-F557 HydrophobicContact CE2-CE1 3.5Å; F500-F557 VanDerWaalsContact CE2-CE1 3.5Å; F500-F557 HydrophobicContact CE2-CE2 4.24Å; F500-F557 AromaticContact CE2-CZ 3.24Å; F500-F557 HydrophobicContact CE2-CZ 3.24Å; F500-F557 HydrophobicContact CG-CZ 4.4Å; F500-F557 AromaticContact CZ-CE1 3.51Å; F500-F557 HydrophobicContact CZ-CE1 3.51Å; F500-F557 AromaticContact CZ-CZ 3.6Å; F500-F557 HydrophobicContact CZ-CZ 3.6Å; R520-F557 HydrophobicContact CB-CE2 3.95Å; R520-F557 HydrophobicContact CB-CZ 4.44Å; L522-F557 HydrophobicContact CD1-CB 3.9Å; L522-F557 HydrophobicContact CD1-CG 4.23Å; L522-F557 HydrophobicContact CD2-CD1 4.26Å; L540-F557 HydrophobicContact CD2-CD1 4.49Å; L540-F557 HydrophobicContact CD2-CE1 4.33Å; Y552-F557 WeakPolarHBondContact CD1-O 2.92Å; F553-F557 WeakPolarHBondContact O-CA 3.32Å; F553-F557 PolarHBondContact O-N 3.32Å; L554-F557 WeakPolarHBondContact O-CE1 3.12Å; F557-F559 PolarHBondContact O-N 2.77Å | ||
| 558 | K | 93 | Very high | 93.8 | Very high | 149 Ų | 149 | 55.6 Ų | 55.6 | 65% | 0.648 | 29% | 0.287 | S | S | * | . | trans | -66.9 | 131.5 | 170.3 | -75.1 | 179.8 | -179.2 | 178.6 | 0 | 108.7 | Y552 F553 S556 F560 | Y552-K558 WeakPolarHBondContact CA-O 3.39Å; F553-K558 HydrophobicContact CD2-CB 4.23Å; F553-K558 PolarHBondContact N-O 2.85Å; S556-K558 PolarHBondContact O-N 3.3Å; S556-K558 WeakPolarHBondContact OG-CB 3.36Å; S556-K558 WeakPolarHBondContact OG-CG 3.26Å; S556-K558 PolarHBondContact OG-N 2.83Å; K558-F560 PolarHBondContact O-N 3.45Å | ||
| 559 | F | 93.8 | Very high | 93.8 | Very high | 115 Ų | 115 | 56.2 Ų | 56.2 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 129 | 171.6 | 171.8 | -97.3 | 0 | 0 | 0 | 109.7 | K550 Y552 F557 L561 C562 | K550-F559 HydrophobicContact CB-CE2 4.43Å; K550-F559 HydrophobicContact CD-CE2 4.44Å; K550-F559 HydrophobicContact CG-CE2 4.27Å; Y552-F559 HydrophobicContact CD1-CB 4.24Å; Y552-F559 HydrophobicContact CE1-CB 4.07Å; Y552-F559 HydrophobicContact CE1-CD2 4.24Å; F557-F559 PolarHBondContact O-N 2.77Å; F559-L561 VanDerWaalsContact CE2-O 3.28Å; F559-L561 WeakPolarHBondContact CE2-O 3.49Å; F559-L561 VanDerWaalsContact CZ-C 3.48Å; F559-C562 HydrophobicContact CE2-CB 3.84Å; F559-C562 HydrophobicContact CZ-CB 3.59Å |
| 560 | F | 93.9 | Very high | 93.8 | Very high | 67 Ų | 67 | 56.2 Ų | 56.2 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -61.2 | -179.1 | -179.9 | -132.6 | 0 | 0 | 0 | 111.2 | L539 V551 F553 K558 L596 | L539-F560 HydrophobicContact CD2-CD1 3.73Å; L539-F560 HydrophobicContact CD2-CE1 4.18Å; L539-F560 HydrophobicContact CD2-CG 4.42Å; V551-F560 HydrophobicContact CG1-CD1 4.13Å; V551-F560 WeakPolarHBondContact O-CA 3.23Å; V551-F560 WeakPolarHBondContact O-CB 3.37Å; V551-F560 PolarHBondContact O-N 3.44Å; F553-F560 HydrophobicContact CD2-CB 4.05Å; F553-F560 HydrophobicContact CD2-CG 4.49Å; F553-F560 HydrophobicContact CE1-CG 4.49Å; F553-F560 HydrophobicContact CE2-CB 3.71Å; F553-F560 AromaticContact CE2-CD2 3.5Å; F553-F560 HydrophobicContact CE2-CD2 3.5Å; F553-F560 VanDerWaalsContact CE2-CD2 3.5Å; F553-F560 HydrophobicContact CE2-CE2 4.32Å; F553-F560 AromaticContact CE2-CG 3.73Å; F553-F560 HydrophobicContact CE2-CG 3.73Å; F553-F560 HydrophobicContact CZ-CB 4.17Å; F553-F560 HydrophobicContact CZ-CD1 4.34Å; F553-F560 AromaticContact CZ-CD2 3.44Å; F553-F560 HydrophobicContact CZ-CD2 3.44Å; F553-F560 VanDerWaalsContact CZ-CD2 3.44Å; F553-F560 AromaticContact CZ-CE2 3.85Å; F553-F560 HydrophobicContact CZ-CE2 3.85Å; F553-F560 AromaticContact CZ-CG 3.73Å; F553-F560 HydrophobicContact CZ-CG 3.73Å; F553-F560 HydrophobicContact CZ-CZ 4.46Å; K558-F560 PolarHBondContact O-N 3.45Å; F560-L596 VanDerWaalsContact CE1-O 3.31Å; F560-L596 WeakPolarHBondContact CE1-O 3.12Å |
| 561 | L | 94.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 57.7 Ų | 57.7 | 15% | 0.147 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 151 | -175.4 | -65.5 | 168.5 | 0 | 0 | 0 | 111.3 | K550 V551 F559 L596 F598 | K550-L561 WeakPolarHBondContact CA-O 3.43Å; V551-L561 HydrophobicContact CB-CB 4.24Å; V551-L561 HydrophobicContact CG2-CB 4.41Å; V551-L561 PolarHBondContact N-O 3.45Å; V551-L561 PolarHBondContact O-N 3.44Å; F559-L561 VanDerWaalsContact CE2-O 3.28Å; F559-L561 WeakPolarHBondContact CE2-O 3.49Å; F559-L561 VanDerWaalsContact CZ-C 3.48Å; L561-L596 VanDerWaalsContact CD1-O 3.24Å; L561-L596 WeakPolarHBondContact CD1-O 3.42Å; L561-F598 WeakPolarHBondContact CD2-O 3.41Å |
| 562 | C | 94.8 | Very high | 93.7 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.8 | 166.8 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | F559 Y564 | F559-C562 HydrophobicContact CE2-CB 3.84Å; F559-C562 HydrophobicContact CZ-CB 3.59Å; C562-Y564 HydrophobicContact CB-CD2 4.37Å; C562-Y564 HydrophobicContact CB-CE2 3.69Å; C562-Y564 WeakPolarHBondContact SG-CE2 3.4Å; C562-Y564 PolarHBondContact SG-OH 2.75Å |
| 563 | L | 95.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.7 | -177.9 | -51.4 | 175.7 | 0 | 0 | 0 | 108.6 | A549 V551 I582 W594 | A549-L563 HydrophobicContact CB-CB 4.18Å; A549-L563 HydrophobicContact CB-CD1 4.07Å; A549-L563 HydrophobicContact CB-CG 4.44Å; A549-L563 PolarHBondContact N-O 3.11Å; A549-L563 PolarHBondContact O-N 2.92Å; V551-L563 HydrophobicContact CG2-CD1 4.49Å; L563-I582 HydrophobicContact CD1-CG2 3.99Å; L563-W594 HydrophobicContact CB-CD2 4.05Å; L563-W594 HydrophobicContact CB-CE3 4.09Å; L563-W594 HydrophobicContact CB-CH2 4.3Å; L563-W594 HydrophobicContact CB-CZ2 4.2Å; L563-W594 HydrophobicContact CB-CZ3 4.2Å; L563-W594 HydrophobicContact CD1-CB 4.2Å; L563-W594 HydrophobicContact CD1-CD2 4.04Å; L563-W594 HydrophobicContact CD1-CG 3.82Å; L563-W594 HydrophobicContact CD2-CB 4.34Å; L563-W594 HydrophobicContact CD2-CD2 4.02Å; L563-W594 HydrophobicContact CD2-CE3 3.76Å; L563-W594 HydrophobicContact CD2-CG 4.28Å; L563-W594 HydrophobicContact CD2-CZ3 4.43Å; L563-W594 HydrophobicContact CG-CD2 4.25Å; L563-W594 HydrophobicContact CG-CE3 4.35Å; L563-W594 HydrophobicContact CG-CG 4.48Å |
| 564 | Y | 94.1 | Very high | 93.8 | Very high | 166 Ų | 166 | 54.9 Ų | 54.9 | 65% | 0.651 | 29% | 0.292 | S | S | * | . | trans | -111.2 | 136.4 | -178 | -69.2 | -83 | 0 | 0 | 0 | 111.9 | T548 C562 W594 | T548-Y564 HydrophobicContact CG2-CD1 3.54Å; T548-Y564 HydrophobicContact CG2-CE1 3.53Å; T548-Y564 HydrophobicContact CG2-CG 4.46Å; C562-Y564 HydrophobicContact CB-CD2 4.37Å; C562-Y564 HydrophobicContact CB-CE2 3.69Å; C562-Y564 WeakPolarHBondContact SG-CE2 3.4Å; C562-Y564 PolarHBondContact SG-OH 2.75Å; Y564-W594 WeakPolarHBondContact O-CH2 3.35Å | ||
| 565 | G | 90.6 | Very high | 94 | Very high | 48 Ų | 48 | 54.2 Ų | 54.2 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | trans | 148.5 | -7.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K592 | G565-K592 PolarHBondContact O-NZ 3.01Š| ||
| 566 | H | 95.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 7% | 0.065 | 26% | 0.255 | C | S | . | . | trans | -69.1 | 142.5 | 168.9 | -76.1 | -70.6 | 0 | 0 | 0 | 110.1 | I570 T584 S586 D588 K592 | H566-I570 HydrophobicContact CB-CG1 4.47Å; H566-T584 PolarHBondContact NE2-OG1 3.4Å; H566-S586 VanDerWaalsContact ND1-CB 3.3Å; H566-S586 WeakPolarHBondContact ND1-CB 3.23Å; H566-D588 IonicContact CG-OD2 3.66Å; H566-D588 IonicContact ND1-OD1 2.93Å; H566-D588 IonicContact ND1-OD2 2.7Å; H566-D588 PolarHBondContact ND1-OD2 2.9Å; H566-K592 VanDerWaalsContact CE1-CG 3.47Å; H566-K592 WeakPolarHBondContact CE1-CG 3.2Å | ||
| 567 | S | 94.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 58% | 0.58 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -88.3 | -20.8 | 177.7 | 57 | 0 | 0 | 0 | 0 | 112.6 | N547 D588 | N547-S567 PolarHBondContact ND2-O 2.84Å; S567-D588 PolarHBondContact N-OD2 3.28Å; S567-D588 WeakPolarHBondContact OG-CB 3.44Å |
| 568 | L | 96.1 | Very high | 94.4 | Very high | 79 Ų | 79 | 47 Ų | 47 | 41% | 0.414 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -130.6 | 167.5 | 179.5 | -69 | 179 | 0 | 0 | 0 | 111 | N547 S586 A587 D588 | N547-L568 VanDerWaalsContact CG-C 3.46Å; N547-L568 WeakPolarHBondContact OD1-CA 3.36Å; N547-L568 PolarHBondContact OD1-O 2.97Å; L568-S586 VanDerWaalsContact C-OG 3.32Å; L568-S586 PolarHBondContact O-OG 2.8Å; L568-A587 HydrophobicContact CB-CB 3.97Å; L568-A587 HydrophobicContact CD1-CB 4.1Å; L568-D588 HydrophobicContact CB-CB 4.07Å; L568-D588 HydrophobicContact CD1-CB 4.34Å; L568-D588 HydrophobicContact CG-CB 4.31Å |
| 569 | P | 95.1 | Very high | 94.4 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | trans | -58.7 | 147.7 | -174.2 | -28 | 35.3 | 0 | 0 | 0 | 113.1 | L545 N547 L571 S586 A587 | L545-P569 HydrophobicContact CD1-CB 3.97Å; L545-P569 HydrophobicContact CD1-CG 3.75Å; L545-P569 WeakPolarHBondContact O-CG 3.38Å; N547-P569 WeakPolarHBondContact OD1-CA 3.36Å; N547-P569 WeakPolarHBondContact OD1-CD 3.34Å; N547-P569 WeakPolarHBondContact OD1-CG 3.31Å; P569-L571 PolarHBondContact O-N 3.3Å; P569-S586 WeakPolarHBondContact O-CA 3.18Å; P569-S586 WeakPolarHBondContact O-CB 3.3Å; P569-S586 PolarHBondContact O-OG 2.88Å; P569-A587 PolarHBondContact O-N 2.94Å; P569-A587 VanDerWaalsContact O-N 3.16Å | ||
| 570 | I | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 117.8 | 177.2 | -56.3 | 174.6 | 0 | 0 | 0 | 107.5 | M529 A549 H566 A572 | M529-I570 WeakPolarHBondContact CB-O 3.47Å; A549-I570 HydrophobicContact CB-CD1 3.59Å; H566-I570 HydrophobicContact CB-CG1 4.47Å; I570-A572 WeakPolarHBondContact CG2-O 3.3Å |
| 571 | L | 94.8 | Very high | 94.3 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -33.6 | -178.1 | -66.2 | 176 | 0 | 0 | 0 | 111.8 | M529 C530 P569 G585 A587 V612 | M529-L571 HydrophobicContact CE-CD2 4.47Å; C530-L571 WeakPolarHBondContact CB-O 3.47Å; P569-L571 PolarHBondContact O-N 3.3Å; L571-G585 PolarHBondContact N-O 3.42Å; L571-A587 HydrophobicContact CD1-CB 4.07Å; L571-A587 HydrophobicContact CG-CB 4.49Å; L571-V612 WeakPolarHBondContact CD1-O 3.4Å |
| 572 | A | 94.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 145.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I570 G585 V615 | I570-A572 WeakPolarHBondContact CG2-O 3.3Å; A572-G585 PolarHBondContact N-O 2.88Å; A572-G585 PolarHBondContact O-N 3Å; A572-V615 HydrophobicContact CB-CB 4.41Å; A572-V615 HydrophobicContact CB-CG2 4.48Å |
| 573 | A | 95.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 36 Ų | 36 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 144 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | C532 A583 T584 | C532-A573 WeakPolarHBondContact CB-O 3.42Å; A573-A583 WeakPolarHBondContact CA-O 3.4Å; A573-T584 HydrophobicContact CB-CG2 4.22Å |
| 574 | D | 96.1 | Very high | 94.6 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 10% | 0.096 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.6 | 175.5 | -155.2 | 50.1 | 0 | 0 | 0 | 110.5 | I582 A583 V615 K616 F617 | D574-I582 WeakPolarHBondContact O-CA 3.49Å; D574-I582 WeakPolarHBondContact O-CG1 3.38Å; D574-A583 PolarHBondContact N-O 3.42Å; D574-A583 PolarHBondContact O-N 3.24Å; D574-V615 WeakPolarHBondContact CB-O 3.37Å; D574-K616 IonicContact OD1-NZ 3.35Å; D574-K616 PolarHBondContact OD1-NZ 3.15Å; D574-K616 WeakPolarHBondContact OD2-CA 3.47Å; D574-F617 HydrophobicContact CB-CD2 4.06Å; D574-F617 VanDerWaalsContact O-CE2 3.31Å; D574-F617 WeakPolarHBondContact O-CE2 3.37Å; D574-F617 PolarHBondContact OD2-N 3Å |
| 575 | I | 95.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.1 | -177.8 | -65.6 | 167.6 | 0 | 0 | 0 | 108.6 | A541 I582 L596 | A541-I575 HydrophobicContact CB-CD1 4.06Å; I575-I582 HydrophobicContact CD1-CD1 4.45Å; I575-I582 HydrophobicContact CG1-CB 4.14Å; I575-I582 HydrophobicContact CG1-CD1 3.93Å; I575-I582 HydrophobicContact CG1-CG1 3.87Å; I575-L596 HydrophobicContact CD1-CD1 4.44Å; I575-L596 HydrophobicContact CG1-CD1 4.21Å; I575-L596 HydrophobicContact CG2-CD1 3.67Å |
| 576 | C | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -66.3 | 157.4 | 178 | -169.4 | 0 | 0 | 0 | 0 | 112 | D578 S579 L581 F617 S621 H622 | C576-D578 WeakPolarHBondContact CB-OD1 3.41Å; C576-D578 PolarHBondContact O-N 3.2Å; C576-D578 VanDerWaalsContact O-N 3.13Å; C576-S579 PolarHBondContact O-N 3.27Å; C576-L581 HydrophobicContact CB-CB 4.04Å; C576-L581 PolarHBondContact N-O 2.76Å; C576-F617 HydrophobicContact CB-CD1 4.04Å; C576-F617 HydrophobicContact CB-CD2 4.36Å; C576-F617 HydrophobicContact CB-CE1 4.05Å; C576-F617 HydrophobicContact CB-CE2 4.35Å; C576-F617 HydrophobicContact CB-CG 4.22Å; C576-F617 HydrophobicContact CB-CZ 4.21Å; C576-S621 PolarHBondContact SG-O 3.07Å; C576-S621 VanDerWaalsContact SG-O 3.36Å; C576-H622 VanDerWaalsContact SG-CD2 3.52Å | ||
| 577 | S | 91.7 | Very high | 94.9 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -30.5 | 179.4 | 51.8 | 0 | 0 | 0 | 0 | 114 | S579 N620 | S577-S579 VanDerWaalsContact C-N 3.3Å; S577-N620 WeakPolarHBondContact OG-CA 3.22Å; S577-N620 PolarHBondContact OG-N 3.25Å |
| 578 | D | 92.7 | Very high | 94.9 | Very high | 42 Ų | 42 | 23.6 Ų | 23.6 | 23% | 0.225 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2 | 179.9 | 76.5 | -19.2 | 0 | 0 | 0 | 113.5 | C576 K580 H622 | C576-D578 WeakPolarHBondContact CB-OD1 3.41Å; C576-D578 PolarHBondContact O-N 3.2Å; C576-D578 VanDerWaalsContact O-N 3.13Å; D578-K580 PolarHBondContact O-N 3.5Å; D578-K580 PolarHBondContact OD1-N 3.22Å; D578-K580 WeakPolarHBondContact OD2-CB 3.13Å; D578-K580 VanDerWaalsContact OD2-CD 3.29Å; D578-K580 WeakPolarHBondContact OD2-CD 3.27Å; D578-K580 WeakPolarHBondContact OD2-CG 3.49Å; D578-H622 IonicContact OD2-CE1 3.64Å; D578-H622 PolarHBondContact OD2-CE1 3.11Å; D578-H622 IonicContact OD2-NE2 3.8Å; D578-H622 PolarHBondContact OD2-NE2 2.73Å; D578-H622 VanDerWaalsContact OD2-NE2 3.16Å |
| 579 | S | 93 | Very high | 94.9 | Very high | 25 Ų | 25 | 24 Ų | 24 | 18% | 0.175 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 58.6 | 18 | -176.7 | 64.1 | 0 | 0 | 0 | 0 | 115.9 | N536 C576 S577 L596 | N536-S579 PolarHBondContact ND2-OG 3.12Å; C576-S579 PolarHBondContact O-N 3.27Å; S577-S579 VanDerWaalsContact C-N 3.3Å; S579-L596 WeakPolarHBondContact O-CD1 3.43Å |
| 580 | K | 92.9 | Very high | 94.9 | Very high | 114 Ų | 114 | 23 Ų | 23 | 50% | 0.496 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -96.8 | -31.8 | 178.6 | -61.5 | -174.1 | -170.5 | 167.4 | 0 | 113.4 | D578 G595 L596 | D578-K580 PolarHBondContact O-N 3.5Å; D578-K580 PolarHBondContact OD1-N 3.22Å; D578-K580 WeakPolarHBondContact OD2-CB 3.13Å; D578-K580 VanDerWaalsContact OD2-CD 3.29Å; D578-K580 WeakPolarHBondContact OD2-CD 3.27Å; D578-K580 WeakPolarHBondContact OD2-CG 3.49Å; K580-G595 CarbonylContact O-C 3.53Å; K580-G595 WeakPolarHBondContact O-CA 3.06Å; K580-L596 PolarHBondContact O-N 3.19Å |
| 581 | L | 94.6 | Very high | 95 | Very high | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.068 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 141.3 | -176.8 | -63.3 | 171.7 | 0 | 0 | 0 | 110.8 | C576 I593 W594 H602 A638 | C576-L581 HydrophobicContact CB-CB 4.04Å; C576-L581 PolarHBondContact N-O 2.76Å; L581-I593 HydrophobicContact CD2-CG2 4.04Å; L581-W594 WeakPolarHBondContact CA-O 3.1Å; L581-H602 VanDerWaalsContact CD2-CD2 3.5Å; L581-H602 WeakPolarHBondContact CD2-CD2 3.5Å; L581-A638 HydrophobicContact CD1-CB 4Å |
| 582 | I | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.7 | 167.3 | -173.9 | 174.2 | 0 | 0 | 0 | 109.2 | A541 L563 D574 I575 T584 I593 W594 L596 | A541-I582 HydrophobicContact CB-CD1 3.54Å; L563-I582 HydrophobicContact CD1-CG2 3.99Å; D574-I582 WeakPolarHBondContact O-CA 3.49Å; D574-I582 WeakPolarHBondContact O-CG1 3.38Å; I575-I582 HydrophobicContact CD1-CD1 4.45Å; I575-I582 HydrophobicContact CG1-CB 4.14Å; I575-I582 HydrophobicContact CG1-CD1 3.93Å; I575-I582 HydrophobicContact CG1-CG1 3.87Å; I582-T584 HydrophobicContact CD1-CG2 4.49Å; I582-T584 HydrophobicContact CG1-CG2 4.39Å; I582-I593 WeakPolarHBondContact O-CA 3.38Å; I582-W594 HydrophobicContact CG2-CB 3.59Å; I582-W594 HydrophobicContact CG2-CG 4.11Å; I582-W594 PolarHBondContact N-O 3.32Å; I582-W594 PolarHBondContact O-N 3.49Å; I582-L596 HydrophobicContact CB-CD1 4.23Å; I582-L596 HydrophobicContact CB-CD2 4.08Å; I582-L596 HydrophobicContact CB-CG 4.11Å; I582-L596 HydrophobicContact CG2-CD2 3.81Å; I582-L596 HydrophobicContact CG2-CG 3.99Å |
| 583 | A | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | A573 D574 V591 K592 V615 F617 | A573-A583 WeakPolarHBondContact CA-O 3.4Å; D574-A583 PolarHBondContact N-O 3.42Å; D574-A583 PolarHBondContact O-N 3.24Å; A583-V591 HydrophobicContact CB-CG1 4.28Å; A583-K592 CarbonylContact C-O 3.58Å; A583-K592 WeakPolarHBondContact CA-O 3.48Å; A583-V615 HydrophobicContact CB-CG1 3.73Å; A583-F617 HydrophobicContact CB-CE2 3.55Å; A583-F617 HydrophobicContact CB-CZ 3.76Å |
| 584 | T | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 122 | 179 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | A549 H566 A573 I582 V591 K592 W594 | A549-T584 HydrophobicContact CB-CG2 4.33Å; H566-T584 PolarHBondContact NE2-OG1 3.4Å; A573-T584 HydrophobicContact CB-CG2 4.22Å; I582-T584 HydrophobicContact CD1-CG2 4.49Å; I582-T584 HydrophobicContact CG1-CG2 4.39Å; T584-V591 CarbonylContact O-C 3.53Å; T584-V591 VanDerWaalsContact O-CA 3.3Å; T584-V591 WeakPolarHBondContact O-CA 3.16Å; T584-K592 PolarHBondContact N-O 3Å; T584-K592 PolarHBondContact O-N 3.03Å; T584-K592 PolarHBondContact OG1-O 3.23Å; T584-W594 PolarHBondContact OG1-NE1 2.82Å |
| 585 | G | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L571 A572 | L571-G585 PolarHBondContact N-O 3.42Å; A572-G585 PolarHBondContact N-O 2.88Å; A572-G585 PolarHBondContact O-N 3Å |
| 586 | S | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 163.7 | -176.9 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | H566 L568 P569 D588 K589 S590 V612 | H566-S586 VanDerWaalsContact ND1-CB 3.3Å; H566-S586 WeakPolarHBondContact ND1-CB 3.23Å; L568-S586 VanDerWaalsContact C-OG 3.32Å; L568-S586 PolarHBondContact O-OG 2.8Å; P569-S586 WeakPolarHBondContact O-CA 3.18Å; P569-S586 WeakPolarHBondContact O-CB 3.3Å; P569-S586 PolarHBondContact O-OG 2.88Å; S586-D588 VanDerWaalsContact CB-OD1 3.23Å; S586-D588 WeakPolarHBondContact CB-OD1 3.45Å; S586-D588 PolarHBondContact O-N 2.88Å; S586-D588 PolarHBondContact OG-N 3.16Å; S586-D588 VanDerWaalsContact OG-N 3.14Å; S586-D588 PolarHBondContact OG-OD1 2.63Å; S586-D588 PolarHBondContact OG-OD2 3.13Å; S586-K589 PolarHBondContact O-N 2.85Å; S586-S590 PolarHBondContact N-O 2.93Å; S586-V612 PolarHBondContact O-N 3.12Å |
| 587 | A | 95.6 | Very high | 94.9 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 22% | 0.223 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -11.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L568 P569 L571 K589 | L568-A587 HydrophobicContact CB-CB 3.97Å; L568-A587 HydrophobicContact CD1-CB 4.1Å; P569-A587 PolarHBondContact O-N 2.94Å; P569-A587 VanDerWaalsContact O-N 3.16Å; L571-A587 HydrophobicContact CD1-CB 4.07Å; L571-A587 HydrophobicContact CG-CB 4.49Å; A587-K589 PolarHBondContact O-N 3.15Å; A587-K589 VanDerWaalsContact O-N 3.15Å |
| 588 | D | 94.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 14% | 0.144 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 7.5 | 172.5 | 68.6 | 13.7 | 0 | 0 | 0 | 114.4 | H566 S567 L568 S586 S590 | H566-D588 IonicContact CG-OD2 3.66Å; H566-D588 IonicContact ND1-OD1 2.93Å; H566-D588 IonicContact ND1-OD2 2.7Å; H566-D588 PolarHBondContact ND1-OD2 2.9Å; S567-D588 PolarHBondContact N-OD2 3.28Å; S567-D588 WeakPolarHBondContact OG-CB 3.44Å; L568-D588 HydrophobicContact CB-CB 4.07Å; L568-D588 HydrophobicContact CD1-CB 4.34Å; L568-D588 HydrophobicContact CG-CB 4.31Å; S586-D588 VanDerWaalsContact CB-OD1 3.23Å; S586-D588 WeakPolarHBondContact CB-OD1 3.45Å; S586-D588 PolarHBondContact O-N 2.88Å; S586-D588 PolarHBondContact OG-N 3.16Å; S586-D588 VanDerWaalsContact OG-N 3.14Å; S586-D588 PolarHBondContact OG-OD1 2.63Å; S586-D588 PolarHBondContact OG-OD2 3.13Å; D588-S590 PolarHBondContact O-N 2.85Å; D588-S590 WeakPolarHBondContact OD1-CA 3.37Å; D588-S590 VanDerWaalsContact OD1-CB 3.29Å; D588-S590 WeakPolarHBondContact OD1-CB 3.33Å; D588-S590 PolarHBondContact OD1-N 2.66Å; D588-S590 PolarHBondContact OD1-OG 3.07Å; D588-S590 PolarHBondContact OD2-OG 2.94Å |
| 589 | K | 95.6 | Very high | 94.8 | Very high | 87 Ų | 87 | 30.3 Ų | 30.3 | 38% | 0.378 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 71.1 | 1.5 | 178.6 | -41 | 173.2 | 173 | -162.7 | 0 | 113.7 | S586 A587 L606 A607 H608 D609 D610 | S586-K589 PolarHBondContact O-N 2.85Å; A587-K589 PolarHBondContact O-N 3.15Å; A587-K589 VanDerWaalsContact O-N 3.15Å; K589-L606 HydrophobicContact CB-CD1 4.37Å; K589-A607 PolarHBondContact O-N 3.35Å; K589-H608 WeakPolarHBondContact CB-O 3.18Å; K589-H608 PolarHBondContact O-N 3.26Å; K589-D609 WeakPolarHBondContact CD-O 3.3Å; K589-D609 WeakPolarHBondContact CE-O 2.96Å; K589-D609 PolarHBondContact NZ-O 3.03Å; K589-D610 WeakPolarHBondContact CB-O 3.39Å |
| 590 | S | 96.1 | Very high | 94.8 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 152.3 | -178.1 | 80.8 | 0 | 0 | 0 | 0 | 112.2 | S586 D588 L605 | S586-S590 PolarHBondContact N-O 2.93Å; D588-S590 PolarHBondContact O-N 2.85Å; D588-S590 WeakPolarHBondContact OD1-CA 3.37Å; D588-S590 VanDerWaalsContact OD1-CB 3.29Å; D588-S590 WeakPolarHBondContact OD1-CB 3.33Å; D588-S590 PolarHBondContact OD1-N 2.66Å; D588-S590 PolarHBondContact OD1-OG 3.07Å; D588-S590 PolarHBondContact OD2-OG 2.94Å; S590-L605 CarbonylContact C-O 3.54Å; S590-L605 WeakPolarHBondContact CA-O 3.01Å; S590-L605 WeakPolarHBondContact CB-O 3.48Å |
| 591 | V | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126 | 164.1 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | A583 T584 L605 A607 V612 V615 F624 | A583-V591 HydrophobicContact CB-CG1 4.28Å; T584-V591 CarbonylContact O-C 3.53Å; T584-V591 VanDerWaalsContact O-CA 3.3Å; T584-V591 WeakPolarHBondContact O-CA 3.16Å; V591-L605 PolarHBondContact N-O 3.28Å; V591-L605 WeakPolarHBondContact O-CB 3.21Å; V591-L605 PolarHBondContact O-N 2.87Å; V591-A607 HydrophobicContact CB-CB 4.26Å; V591-A607 HydrophobicContact CG2-CB 3.72Å; V591-V612 HydrophobicContact CG2-CG1 4.03Å; V591-V612 HydrophobicContact CG2-CG2 4.13Å; V591-V615 HydrophobicContact CG2-CG2 4.26Å; V591-F624 HydrophobicContact CG1-CE2 3.9Å; V591-F624 HydrophobicContact CG1-CZ 4.19Å |
| 592 | K | 95.9 | Very high | 94.8 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 11% | 0.109 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.5 | 174.3 | -65.5 | -172.5 | -176.3 | -158.2 | 0 | 110.1 | G565 H566 A583 T584 W594 S604 | G565-K592 PolarHBondContact O-NZ 3.01Å; H566-K592 VanDerWaalsContact CE1-CG 3.47Å; H566-K592 WeakPolarHBondContact CE1-CG 3.2Å; A583-K592 CarbonylContact C-O 3.58Å; A583-K592 WeakPolarHBondContact CA-O 3.48Å; T584-K592 PolarHBondContact N-O 3Å; T584-K592 PolarHBondContact O-N 3.03Å; T584-K592 PolarHBondContact OG1-O 3.23Å; K592-W594 HydrophobicContact CB-CZ2 4Å; K592-W594 HydrophobicContact CD-CH2 4.38Å; K592-W594 HydrophobicContact CD-CZ2 3.68Å; K592-W594 HydrophobicContact CG-CZ2 4.5Å; K592-S604 WeakPolarHBondContact CE-OG 3.48Å |
| 593 | I | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.4 | 176.2 | -63 | 157.4 | 0 | 0 | 0 | 107.5 | L581 I582 H602 R603 L605 F624 A638 F641 | L581-I593 HydrophobicContact CD2-CG2 4.04Å; I582-I593 WeakPolarHBondContact O-CA 3.38Å; I593-H602 PolarHBondContact O-N 3.4Å; I593-R603 PolarHBondContact N-O 3.01Å; I593-R603 PolarHBondContact O-N 3.37Å; I593-L605 HydrophobicContact CD1-CD1 3.8Å; I593-F624 HydrophobicContact CD1-CE1 3.81Å; I593-F624 HydrophobicContact CD1-CZ 4.02Å; I593-F624 HydrophobicContact CG1-CE1 4.35Å; I593-F624 HydrophobicContact CG1-CZ 4.43Å; I593-A638 HydrophobicContact CD1-CB 4.31Å; I593-F641 HydrophobicContact CB-CE1 4.23Å; I593-F641 HydrophobicContact CD1-CD1 3.58Å; I593-F641 HydrophobicContact CD1-CE1 3.73Å; I593-F641 HydrophobicContact CG2-CE1 4.22Å |
| 594 | W | 95.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 4% | 0.038 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146.4 | -178.7 | -44.9 | 77.7 | 0 | 0 | 0 | 110.9 | L563 Y564 L581 I582 T584 K592 D600 C601 | L563-W594 HydrophobicContact CB-CD2 4.05Å; L563-W594 HydrophobicContact CB-CE3 4.09Å; L563-W594 HydrophobicContact CB-CH2 4.3Å; L563-W594 HydrophobicContact CB-CZ2 4.2Å; L563-W594 HydrophobicContact CB-CZ3 4.2Å; L563-W594 HydrophobicContact CD1-CB 4.2Å; L563-W594 HydrophobicContact CD1-CD2 4.04Å; L563-W594 HydrophobicContact CD1-CG 3.82Å; L563-W594 HydrophobicContact CD2-CB 4.34Å; L563-W594 HydrophobicContact CD2-CD2 4.02Å; L563-W594 HydrophobicContact CD2-CE3 3.76Å; L563-W594 HydrophobicContact CD2-CG 4.28Å; L563-W594 HydrophobicContact CD2-CZ3 4.43Å; L563-W594 HydrophobicContact CG-CD2 4.25Å; L563-W594 HydrophobicContact CG-CE3 4.35Å; L563-W594 HydrophobicContact CG-CG 4.48Å; Y564-W594 WeakPolarHBondContact O-CH2 3.35Å; L581-W594 WeakPolarHBondContact CA-O 3.1Å; I582-W594 HydrophobicContact CG2-CB 3.59Å; I582-W594 HydrophobicContact CG2-CG 4.11Å; I582-W594 PolarHBondContact N-O 3.32Å; I582-W594 PolarHBondContact O-N 3.49Å; T584-W594 PolarHBondContact OG1-NE1 2.82Å; K592-W594 HydrophobicContact CB-CZ2 4Å; K592-W594 HydrophobicContact CD-CH2 4.38Å; K592-W594 HydrophobicContact CD-CZ2 3.68Å; K592-W594 HydrophobicContact CG-CZ2 4.5Å; W594-D600 CarbonylContact C-O 3.56Å; W594-D600 WeakPolarHBondContact CA-O 3.43Å; W594-C601 HydrophobicContact CD2-CB 4.26Å; W594-C601 HydrophobicContact CE3-CB 3.65Å; W594-C601 HydrophobicContact CH2-CB 3.9Å; W594-C601 HydrophobicContact CZ3-CB 3.47Å; W594-C601 VanDerWaalsContact CZ3-CB 3.47Å |
| 595 | G | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | K580 G599 D600 | K580-G595 CarbonylContact O-C 3.53Å; K580-G595 WeakPolarHBondContact O-CA 3.06Å; G595-G599 WeakPolarHBondContact O-CA 3.28Å; G595-G599 PolarHBondContact O-N 3.25Å; G595-D600 PolarHBondContact N-O 3.42Å |
| 596 | L | 92.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.016 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -19 | 178.6 | -77 | 167.5 | 0 | 0 | 0 | 112.9 | L539 V551 F560 L561 I575 S579 K580 I582 F598 | L539-L596 HydrophobicContact CD1-CB 4.45Å; L539-L596 HydrophobicContact CD1-CD1 4.48Å; L539-L596 HydrophobicContact CD1-CD2 4.45Å; V551-L596 HydrophobicContact CG1-CD2 4.45Å; V551-L596 HydrophobicContact CG2-CD2 4.24Å; F560-L596 VanDerWaalsContact CE1-O 3.31Å; F560-L596 WeakPolarHBondContact CE1-O 3.12Å; L561-L596 VanDerWaalsContact CD1-O 3.24Å; L561-L596 WeakPolarHBondContact CD1-O 3.42Å; I575-L596 HydrophobicContact CD1-CD1 4.44Å; I575-L596 HydrophobicContact CG1-CD1 4.21Å; I575-L596 HydrophobicContact CG2-CD1 3.67Å; S579-L596 WeakPolarHBondContact O-CD1 3.43Å; K580-L596 PolarHBondContact O-N 3.19Å; I582-L596 HydrophobicContact CB-CD1 4.23Å; I582-L596 HydrophobicContact CB-CD2 4.08Å; I582-L596 HydrophobicContact CB-CG 4.11Å; I582-L596 HydrophobicContact CG2-CD2 3.81Å; I582-L596 HydrophobicContact CG2-CG 3.99Å; L596-F598 VanDerWaalsContact C-N 3.33Å; L596-F598 PolarHBondContact O-N 2.68Å |
| 597 | D | 92.5 | Very high | 94.2 | Very high | 105 Ų | 105 | 49.8 Ų | 49.8 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -40 | 179.9 | -66.9 | -30.2 | 0 | 0 | 0 | 111.8 | ||
| 598 | F | 91.3 | Very high | 94.2 | Very high | 170 Ų | 170 | 48.6 Ų | 48.6 | 75% | 0.746 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129 | -10.3 | -176.6 | -56 | -71.6 | 0 | 0 | 0 | 114.3 | L561 L596 | L561-F598 WeakPolarHBondContact CD2-O 3.41Å; L596-F598 VanDerWaalsContact C-N 3.33Å; L596-F598 PolarHBondContact O-N 2.68Å |
| 599 | G | 91.4 | Very high | 94.1 | Very high | 17 Ų | 17 | 52 Ų | 52 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | trans | 76.7 | 23.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G595 | G595-G599 WeakPolarHBondContact O-CA 3.28Å; G595-G599 PolarHBondContact O-N 3.25Å | ||
| 600 | D | 94.4 | Very high | 94.1 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | trans | -80 | 140.8 | 178.2 | 64.9 | -49 | 0 | 0 | 0 | 111.6 | W594 G595 H602 | W594-D600 CarbonylContact C-O 3.56Å; W594-D600 WeakPolarHBondContact CA-O 3.43Å; G595-D600 PolarHBondContact N-O 3.42Å; D600-H602 PolarHBondContact O-N 3.11Å; D600-H602 IonicContact OD1-CE1 3.18Å; D600-H602 IonicContact OD2-CE1 3.11Å; D600-H602 PolarHBondContact OD2-CE1 3.41Å; D600-H602 IonicContact OD2-ND1 2.84Å; D600-H602 PolarHBondContact OD2-ND1 3.01Å | ||
| 601 | C | 93.6 | Very high | 94.1 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 111 | 173.3 | -170 | 0 | 0 | 0 | 0 | 108.9 | W594 | W594-C601 HydrophobicContact CD2-CB 4.26Å; W594-C601 HydrophobicContact CE3-CB 3.65Å; W594-C601 HydrophobicContact CH2-CB 3.9Å; W594-C601 HydrophobicContact CZ3-CB 3.47Å; W594-C601 VanDerWaalsContact CZ3-CB 3.47Å |
| 602 | H | 94 | Very high | 94.1 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | -48 | 174.5 | -67.9 | -10.3 | 0 | 0 | 0 | 110.8 | L581 I593 D600 F641 | L581-H602 VanDerWaalsContact CD2-CD2 3.5Å; L581-H602 WeakPolarHBondContact CD2-CD2 3.5Å; I593-H602 PolarHBondContact O-N 3.4Å; D600-H602 PolarHBondContact O-N 3.11Å; D600-H602 IonicContact OD1-CE1 3.18Å; D600-H602 IonicContact OD2-CE1 3.11Å; D600-H602 PolarHBondContact OD2-CE1 3.41Å; D600-H602 IonicContact OD2-ND1 2.84Å; D600-H602 PolarHBondContact OD2-ND1 3.01Å; H602-F641 HydrophobicContact CB-CE1 4.02Å; H602-F641 HydrophobicContact CB-CZ 3.75Å |
| 603 | R | 94.1 | Very high | 94.1 | Very high | 126 Ų | 126 | 49.8 Ų | 49.8 | 48% | 0.475 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 146.9 | 177.8 | -155.9 | 157.6 | 178.6 | 178.8 | -2.3 | 112.7 | I593 L605 F641 | I593-R603 PolarHBondContact N-O 3.01Å; I593-R603 PolarHBondContact O-N 3.37Å; R603-L605 HydrophobicContact CG-CD2 4.37Å; R603-F641 HydrophobicContact CB-CD1 3.59Å; R603-F641 HydrophobicContact CB-CE1 3.71Å; R603-F641 HydrophobicContact CB-CG 4.06Å; R603-F641 HydrophobicContact CB-CZ 4.29Å; R603-F641 HydrophobicContact CG-CD1 4.34Å; R603-F641 HydrophobicContact CG-CG 4.4Å |
| 604 | S | 94.4 | Very high | 94 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.4 | 167.2 | -172 | 0 | 0 | 0 | 0 | 108.8 | K592 | K592-S604 WeakPolarHBondContact CE-OG 3.48Å |
| 605 | L | 93.6 | Very high | 94.1 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.5 | -180 | -65.3 | 169.8 | 0 | 0 | 0 | 109.3 | S590 V591 I593 R603 A607 F624 W636 F641 | S590-L605 CarbonylContact C-O 3.54Å; S590-L605 WeakPolarHBondContact CA-O 3.01Å; S590-L605 WeakPolarHBondContact CB-O 3.48Å; V591-L605 PolarHBondContact N-O 3.28Å; V591-L605 WeakPolarHBondContact O-CB 3.21Å; V591-L605 PolarHBondContact O-N 2.87Å; I593-L605 HydrophobicContact CD1-CD1 3.8Å; R603-L605 HydrophobicContact CG-CD2 4.37Å; L605-A607 VanDerWaalsContact C-N 3.34Å; L605-A607 PolarHBondContact O-N 2.9Å; L605-A607 VanDerWaalsContact O-N 3.08Å; L605-F624 HydrophobicContact CD1-CZ 4.31Å; L605-W636 HydrophobicContact CD1-CE3 4.02Å; L605-W636 HydrophobicContact CD1-CZ3 4.34Å; L605-W636 HydrophobicContact CD2-CZ3 4.45Å; L605-F641 HydrophobicContact CD2-CB 4.23Å |
| 606 | L | 94.3 | Very high | 94.1 | Very high | 137 Ų | 137 | 52.7 Ų | 52.7 | 72% | 0.717 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 94.1 | 164.4 | -174 | 71.3 | 0 | 0 | 0 | 107.2 | K589 | K589-L606 HydrophobicContact CB-CD1 4.37Å |
| 607 | A | 90.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | trans | -84.2 | -40.5 | -168 | 0 | 0 | 0 | 0 | 0 | 111.7 | K589 V591 L605 K634 W636 | K589-A607 PolarHBondContact O-N 3.35Å; V591-A607 HydrophobicContact CB-CB 4.26Å; V591-A607 HydrophobicContact CG2-CB 3.72Å; L605-A607 VanDerWaalsContact C-N 3.34Å; L605-A607 PolarHBondContact O-N 2.9Å; L605-A607 VanDerWaalsContact O-N 3.08Å; A607-K634 WeakPolarHBondContact O-CD 3.46Å; A607-K634 WeakPolarHBondContact O-CE 3.47Å; A607-K634 PolarHBondContact O-NZ 3.5Å; A607-W636 HydrophobicContact CB-CH2 4.44Å; A607-W636 HydrophobicContact CB-CZ2 3.74Å | ||
| 608 | H | 95.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | trans | -138.1 | 168.6 | -168.9 | -72.5 | -81.2 | 0 | 0 | 0 | 112.2 | K589 V612 S626 S628 D630 K632 K634 | K589-H608 WeakPolarHBondContact CB-O 3.18Å; K589-H608 PolarHBondContact O-N 3.26Å; H608-V612 HydrophobicContact CB-CG2 4.4Å; H608-S626 PolarHBondContact NE2-O 3.36Å; H608-S626 VanDerWaalsContact NE2-O 3.15Å; H608-S626 PolarHBondContact NE2-OG 3.12Å; H608-S628 WeakPolarHBondContact ND1-CB 3.37Å; H608-D630 WeakPolarHBondContact CB-OD2 3.41Å; H608-K632 PolarHBondContact CE1-O 2.98Å; H608-K632 VanDerWaalsContact CE1-O 3.32Å; H608-K634 VanDerWaalsContact CE1-CG 3.49Å; H608-K634 WeakPolarHBondContact CE1-CG 3.38Å | ||
| 609 | D | 93.5 | Very high | 94.3 | Very high | 100 Ų | 100 | 42.3 Ų | 42.3 | 54% | 0.535 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -88.8 | -16.6 | -178.7 | -59.5 | -40.5 | 0 | 0 | 0 | 111.6 | K589 D630 | K589-D609 WeakPolarHBondContact CD-O 3.3Å; K589-D609 WeakPolarHBondContact CE-O 2.96Å; K589-D609 PolarHBondContact NZ-O 3.03Å; D609-D630 WeakPolarHBondContact CA-OD2 3.45Å; D609-D630 PolarHBondContact N-OD2 2.81Å |
| 610 | D | 95.7 | Very high | 94.3 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 32% | 0.316 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -134.8 | -178.2 | 173.1 | -161.6 | 9.4 | 0 | 0 | 0 | 111.7 | K589 S628 K629 D630 | K589-D610 WeakPolarHBondContact CB-O 3.39Å; D610-S628 PolarHBondContact O-OG 3.11Å; D610-K629 HydrophobicContact CB-CB 4.19Å; D610-K629 WeakPolarHBondContact OD2-CB 3.43Å; D610-D630 WeakPolarHBondContact CB-OD1 3.46Å; D610-D630 VanDerWaalsContact N-CG 3.28Å; D610-D630 PolarHBondContact N-OD1 2.9Å; D610-D630 VanDerWaalsContact N-OD1 3.12Å; D610-D630 PolarHBondContact N-OD2 2.95Å |
| 611 | S | 95.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | trans | -59.3 | 135 | -171.2 | 59 | 0 | 0 | 0 | 0 | 113.2 | T613 S628 K629 | S611-T613 PolarHBondContact O-N 2.96Å; S611-S628 WeakPolarHBondContact O-CA 3.35Å; S611-S628 PolarHBondContact O-OG 3.39Å; S611-K629 PolarHBondContact O-N 3.48Å; S611-K629 VanDerWaalsContact O-N 3.1Å; S611-K629 WeakPolarHBondContact OG-CD 3.36Å; S611-K629 WeakPolarHBondContact OG-CE 3.26Å; S611-K629 VanDerWaalsContact OG-CG 3.3Å; S611-K629 WeakPolarHBondContact OG-CG 3.32Å; S611-K629 PolarHBondContact OG-NZ 3.46Å | ||
| 612 | V | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.2 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 109 | L571 S586 V591 H608 V615 A627 | L571-V612 WeakPolarHBondContact CD1-O 3.4Å; S586-V612 PolarHBondContact O-N 3.12Å; V591-V612 HydrophobicContact CG2-CG1 4.03Å; V591-V612 HydrophobicContact CG2-CG2 4.13Å; H608-V612 HydrophobicContact CB-CG2 4.4Å; V612-V615 HydrophobicContact CG1-CG2 3.82Å; V612-A627 CarbonylContact C-O 3.47Å; V612-A627 WeakPolarHBondContact CA-O 3.43Å; V612-A627 WeakPolarHBondContact CG1-O 3.45Å |
| 613 | T | 95.1 | Very high | 94 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -34 | -174.8 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | S611 A627 K629 I654 | S611-T613 PolarHBondContact O-N 2.96Å; T613-A627 PolarHBondContact N-O 3.37Å; T613-A627 PolarHBondContact OG1-O 2.96Å; T613-K629 HydrophobicContact CG2-CG 3.74Å; T613-I654 WeakPolarHBondContact CB-O 3.31Å; T613-I654 WeakPolarHBondContact CG2-O 3.26Å; T613-I654 PolarHBondContact OG1-O 3.45Å |
| 614 | C | 95.5 | Very high | 94.1 | Very high | 21 Ų | 21 | 37.9 Ų | 37.9 | 14% | 0.142 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 144.8 | -176.5 | -74.7 | 0 | 0 | 0 | 0 | 111.6 | S626 A627 W655 L657 | C614-S626 WeakPolarHBondContact O-CA 3.42Å; C614-A627 HydrophobicContact CB-CB 4.24Å; C614-A627 PolarHBondContact N-O 3.5Å; C614-A627 PolarHBondContact O-N 2.83Å; C614-W655 PolarHBondContact SG-O 2.96Å; C614-W655 VanDerWaalsContact SG-O 3.33Å; C614-L657 HydrophobicContact CB-CB 3.68Å |
| 615 | V | 96.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 131.9 | 171.9 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | A572 D574 A583 V591 V612 F624 F625 | A572-V615 HydrophobicContact CB-CB 4.41Å; A572-V615 HydrophobicContact CB-CG2 4.48Å; D574-V615 WeakPolarHBondContact CB-O 3.37Å; A583-V615 HydrophobicContact CB-CG1 3.73Å; V591-V615 HydrophobicContact CG2-CG2 4.26Å; V612-V615 HydrophobicContact CG1-CG2 3.82Å; V615-F624 HydrophobicContact CG1-CD2 4.03Å; V615-F625 WeakPolarHBondContact CA-O 3.19Å |
| 616 | K | 95.9 | Very high | 94.3 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 22% | 0.217 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 131.7 | 177.5 | -78.8 | -69.5 | 168.7 | -166.5 | 0 | 112.7 | D574 F624 F625 L657 I659 | D574-K616 IonicContact OD1-NZ 3.35Å; D574-K616 PolarHBondContact OD1-NZ 3.15Å; D574-K616 WeakPolarHBondContact OD2-CA 3.47Å; K616-F624 CarbonylContact O-C 3.54Å; K616-F624 VanDerWaalsContact O-CA 3.26Å; K616-F624 WeakPolarHBondContact O-CA 3.34Å; K616-F624 WeakPolarHBondContact O-CB 3.26Å; K616-F625 PolarHBondContact N-O 2.66Å; K616-F625 PolarHBondContact O-N 2.85Å; K616-L657 HydrophobicContact CB-CD2 4.31Å; K616-I659 HydrophobicContact CB-CD1 3.55Å; K616-I659 HydrophobicContact CB-CG1 4.1Å |
| 617 | F | 95.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 142 | 172.1 | -82.6 | -81.3 | 0 | 0 | 0 | 111.3 | D574 C576 A583 L623 F624 A638 I659 | D574-F617 HydrophobicContact CB-CD2 4.06Å; D574-F617 VanDerWaalsContact O-CE2 3.31Å; D574-F617 WeakPolarHBondContact O-CE2 3.37Å; D574-F617 PolarHBondContact OD2-N 3Å; C576-F617 HydrophobicContact CB-CD1 4.04Å; C576-F617 HydrophobicContact CB-CD2 4.36Å; C576-F617 HydrophobicContact CB-CE1 4.05Å; C576-F617 HydrophobicContact CB-CE2 4.35Å; C576-F617 HydrophobicContact CB-CG 4.22Å; C576-F617 HydrophobicContact CB-CZ 4.21Å; A583-F617 HydrophobicContact CB-CE2 3.55Å; A583-F617 HydrophobicContact CB-CZ 3.76Å; F617-L623 WeakPolarHBondContact CD1-O 3.31Å; F617-F624 HydrophobicContact CD1-CB 3.67Å; F617-F624 HydrophobicContact CD2-CB 4.49Å; F617-F624 HydrophobicContact CE1-CB 3.84Å; F617-F624 AromaticContact CE1-CD1 3.93Å; F617-F624 HydrophobicContact CE1-CD1 3.93Å; F617-F624 HydrophobicContact CE1-CG 4.23Å; F617-F624 HydrophobicContact CG-CB 4.01Å; F617-F624 HydrophobicContact CZ-CB 4.33Å; F617-F624 HydrophobicContact CZ-CD1 4.28Å; F617-F624 HydrophobicContact CZ-CG 4.49Å; F617-A638 HydrophobicContact CE1-CB 4.16Å; F617-I659 WeakPolarHBondContact O-CD1 3.5Å |
| 618 | V | 94 | Very high | 94.7 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.036 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 127.7 | 169.6 | 175 | 0 | 0 | 0 | 0 | 108.3 | S621 L623 F625 I659 | V618-S621 VanDerWaalsContact CB-OG 3.3Å; V618-S621 WeakPolarHBondContact CB-OG 3.5Å; V618-S621 WeakPolarHBondContact CG1-OG 3.24Å; V618-S621 PolarHBondContact O-N 3.38Å; V618-S621 VanDerWaalsContact O-O 3.09Å; V618-S621 PolarHBondContact O-OG 3.09Å; V618-L623 HydrophobicContact CB-CB 4.33Å; V618-L623 HydrophobicContact CG2-CB 4.31Å; V618-L623 PolarHBondContact N-O 3.36Å; V618-F625 HydrophobicContact CG2-CD2 3.87Å; V618-F625 HydrophobicContact CG2-CE2 3.49Å; V618-F625 VanDerWaalsContact CG2-CE2 3.49Å; V618-I659 HydrophobicContact CG2-CD1 4.06Å |
| 619 | P | 91.7 | Very high | 94.7 | Very high | 41 Ų | 41 | 30.4 Ų | 30.4 | 27% | 0.266 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 144 | -176.8 | 23.7 | -33.3 | 0 | 0 | 0 | 111.9 | S621 S661 | P619-S621 PolarHBondContact O-N 2.96Å; P619-S661 VanDerWaalsContact CG-O 3.3Å; P619-S661 WeakPolarHBondContact CG-O 3.48Å |
| 620 | N | 89.7 | Confident | 94.6 | Very high | 151 Ų | 151 | 28.2 Ų | 28.2 | 81% | 0.807 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 19.7 | -178.4 | -54.5 | -40.2 | 0 | 0 | 0 | 115 | S577 | S577-N620 WeakPolarHBondContact OG-CA 3.22Å; S577-N620 PolarHBondContact OG-N 3.25Å |
| 621 | S | 90.6 | Very high | 94.4 | Very high | 29 Ų | 29 | 25.5 Ų | 25.5 | 20% | 0.203 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -146.3 | 160.3 | 178.1 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | C576 V618 P619 L623 | C576-S621 PolarHBondContact SG-O 3.07Å; C576-S621 VanDerWaalsContact SG-O 3.36Å; V618-S621 VanDerWaalsContact CB-OG 3.3Å; V618-S621 WeakPolarHBondContact CB-OG 3.5Å; V618-S621 WeakPolarHBondContact CG1-OG 3.24Å; V618-S621 PolarHBondContact O-N 3.38Å; V618-S621 VanDerWaalsContact O-O 3.09Å; V618-S621 PolarHBondContact O-OG 3.09Å; P619-S621 PolarHBondContact O-N 2.96Å; S621-L623 PolarHBondContact O-N 3.08Å; S621-L623 PolarHBondContact OG-N 3.19Å |
| 622 | H | 92.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 29.1 Ų | 29.1 | 23% | 0.231 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -91.3 | 23.4 | 174.4 | -67.5 | -158.8 | 0 | 0 | 0 | 111.6 | C576 D578 A638 D639 | C576-H622 VanDerWaalsContact SG-CD2 3.52Å; D578-H622 IonicContact OD2-CE1 3.64Å; D578-H622 PolarHBondContact OD2-CE1 3.11Å; D578-H622 IonicContact OD2-NE2 3.8Å; D578-H622 PolarHBondContact OD2-NE2 2.73Å; D578-H622 VanDerWaalsContact OD2-NE2 3.16Å; H622-A638 HydrophobicContact CB-CB 4.4Å; H622-A638 VanDerWaalsContact O-CB 3.24Å; H622-A638 WeakPolarHBondContact O-CB 3.12Å; H622-A638 PolarHBondContact O-N 2.82Å; H622-D639 WeakPolarHBondContact CB-OD2 3.46Å; H622-D639 IonicContact CE1-OD1 3.07Å; H622-D639 IonicContact CG-OD1 2.85Å; H622-D639 IonicContact CG-OD2 3.62Å; H622-D639 IonicContact ND1-OD1 2.82Å; H622-D639 PolarHBondContact ND1-OD1 2.91Å; H622-D639 IonicContact ND1-OD2 2.78Å; H622-D639 PolarHBondContact ND1-OD2 3.46Å |
| 623 | L | 93.6 | Very high | 94.3 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 18% | 0.183 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 142 | 174.6 | -56.1 | -179.2 | 0 | 0 | 0 | 109.3 | Y7 F617 V618 S621 W636 C637 I644 | Y7-L623 HydrophobicContact CD1-CD2 4.35Å; Y7-L623 HydrophobicContact CE1-CD2 4.03Å; F617-L623 WeakPolarHBondContact CD1-O 3.31Å; V618-L623 HydrophobicContact CB-CB 4.33Å; V618-L623 HydrophobicContact CG2-CB 4.31Å; V618-L623 PolarHBondContact N-O 3.36Å; S621-L623 PolarHBondContact O-N 3.08Å; S621-L623 PolarHBondContact OG-N 3.19Å; L623-W636 WeakPolarHBondContact CA-O 3.1Å; L623-C637 HydrophobicContact CD2-CB 4.03Å; L623-I644 HydrophobicContact CD2-CD1 3.64Å |
| 624 | F | 95.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 156.2 | 174.4 | 69.8 | -87.3 | 0 | 0 | 0 | 111.7 | V591 I593 L605 V615 K616 F617 W636 A638 | V591-F624 HydrophobicContact CG1-CE2 3.9Å; V591-F624 HydrophobicContact CG1-CZ 4.19Å; I593-F624 HydrophobicContact CD1-CE1 3.81Å; I593-F624 HydrophobicContact CD1-CZ 4.02Å; I593-F624 HydrophobicContact CG1-CE1 4.35Å; I593-F624 HydrophobicContact CG1-CZ 4.43Å; L605-F624 HydrophobicContact CD1-CZ 4.31Å; V615-F624 HydrophobicContact CG1-CD2 4.03Å; K616-F624 CarbonylContact O-C 3.54Å; K616-F624 VanDerWaalsContact O-CA 3.26Å; K616-F624 WeakPolarHBondContact O-CA 3.34Å; K616-F624 WeakPolarHBondContact O-CB 3.26Å; F617-F624 HydrophobicContact CD1-CB 3.67Å; F617-F624 HydrophobicContact CD2-CB 4.49Å; F617-F624 HydrophobicContact CE1-CB 3.84Å; F617-F624 AromaticContact CE1-CD1 3.93Å; F617-F624 HydrophobicContact CE1-CD1 3.93Å; F617-F624 HydrophobicContact CE1-CG 4.23Å; F617-F624 HydrophobicContact CG-CB 4.01Å; F617-F624 HydrophobicContact CZ-CB 4.33Å; F617-F624 HydrophobicContact CZ-CD1 4.28Å; F617-F624 HydrophobicContact CZ-CG 4.49Å; F624-W636 HydrophobicContact CD1-CB 3.88Å; F624-W636 HydrophobicContact CD2-CB 4.11Å; F624-W636 HydrophobicContact CD2-CG 4.37Å; F624-W636 HydrophobicContact CE1-CB 3.38Å; F624-W636 HydrophobicContact CE1-CG 4.23Å; F624-W636 HydrophobicContact CE2-CB 3.64Å; F624-W636 AromaticContact CE2-CD1 3.5Å; F624-W636 VanDerWaalsContact CE2-CD1 3.5Å; F624-W636 AromaticContact CE2-CG 3.66Å; F624-W636 HydrophobicContact CE2-CG 3.66Å; F624-W636 HydrophobicContact CG-CB 4.23Å; F624-W636 HydrophobicContact CZ-CB 3.25Å; F624-W636 AromaticContact CZ-CD1 3.94Å; F624-W636 HydrophobicContact CZ-CD2 4.43Å; F624-W636 AromaticContact CZ-CG 3.59Å; F624-W636 HydrophobicContact CZ-CG 3.59Å; F624-W636 PolarHBondContact N-O 2.94Å; F624-W636 PolarHBondContact O-N 2.88Å; F624-A638 HydrophobicContact CD1-CB 4.06Å; F624-A638 HydrophobicContact CE1-CB 4.05Å |
| 625 | F | 96.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 143.4 | 172.1 | -68.9 | -82.3 | 0 | 0 | 0 | 110.1 | H10 V615 K616 V618 I633 K634 Q635 L647 L657 I659 L666 | H10-F625 AromaticContact CD2-CZ 3.77Å; H10-F625 AromaticContact CE1-CZ 3.72Å; H10-F625 AromaticContact NE2-CZ 3.5Å; H10-F625 WeakPolarHBondContact NE2-CZ 3.46Å; V615-F625 WeakPolarHBondContact CA-O 3.19Å; K616-F625 PolarHBondContact N-O 2.66Å; K616-F625 PolarHBondContact O-N 2.85Å; V618-F625 HydrophobicContact CG2-CD2 3.87Å; V618-F625 HydrophobicContact CG2-CE2 3.49Å; V618-F625 VanDerWaalsContact CG2-CE2 3.49Å; F625-I633 HydrophobicContact CB-CG2 4.29Å; F625-I633 HydrophobicContact CD1-CG2 4Å; F625-K634 CarbonylContact C-O 3.45Å; F625-K634 WeakPolarHBondContact CA-O 3.41Å; F625-Q635 HydrophobicContact CD1-CB 3.8Å; F625-Q635 HydrophobicContact CD1-CG 3.94Å; F625-Q635 HydrophobicContact CE1-CB 3.56Å; F625-Q635 HydrophobicContact CE1-CG 3.51Å; F625-Q635 HydrophobicContact CE2-CG 4.46Å; F625-Q635 HydrophobicContact CZ-CB 4.36Å; F625-Q635 HydrophobicContact CZ-CG 3.82Å; F625-L647 HydrophobicContact CE1-CD1 4.2Å; F625-L657 HydrophobicContact CB-CD2 3.73Å; F625-I659 HydrophobicContact CD2-CD1 3.67Å; F625-I659 HydrophobicContact CD2-CG1 4.36Å; F625-I659 HydrophobicContact CE2-CD1 4.3Å; F625-L666 HydrophobicContact CB-CD1 4.47Å; F625-L666 HydrophobicContact CD1-CD2 3.93Å; F625-L666 HydrophobicContact CD2-CD1 3.95Å; F625-L666 HydrophobicContact CD2-CD2 4.44Å; F625-L666 HydrophobicContact CE1-CD2 3.91Å; F625-L666 HydrophobicContact CE2-CD1 4.3Å; F625-L666 HydrophobicContact CE2-CD2 4.4Å; F625-L666 HydrophobicContact CG-CD1 4.14Å; F625-L666 HydrophobicContact CG-CD2 4.19Å; F625-L666 HydrophobicContact CZ-CD2 4.14Å |
| 626 | S | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.6 | 167.9 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | H608 C614 I633 K634 W636 | H608-S626 PolarHBondContact NE2-O 3.36Å; H608-S626 VanDerWaalsContact NE2-O 3.15Å; H608-S626 PolarHBondContact NE2-OG 3.12Å; C614-S626 WeakPolarHBondContact O-CA 3.42Å; S626-I633 WeakPolarHBondContact O-CA 3.4Å; S626-K634 PolarHBondContact N-O 3Å; S626-K634 PolarHBondContact O-N 2.91Å; S626-W636 PolarHBondContact OG-NE1 3.15Å |
| 627 | A | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V612 T613 C614 I633 I654 L657 | V612-A627 CarbonylContact C-O 3.47Å; V612-A627 WeakPolarHBondContact CA-O 3.43Å; V612-A627 WeakPolarHBondContact CG1-O 3.45Å; T613-A627 PolarHBondContact N-O 3.37Å; T613-A627 PolarHBondContact OG1-O 2.96Å; C614-A627 HydrophobicContact CB-CB 4.24Å; C614-A627 PolarHBondContact N-O 3.5Å; C614-A627 PolarHBondContact O-N 2.83Å; A627-I633 HydrophobicContact CB-CG1 4.38Å; A627-I654 HydrophobicContact CB-CB 4.1Å; A627-I654 HydrophobicContact CB-CD1 4.38Å; A627-I654 HydrophobicContact CB-CG2 3.73Å; A627-L657 HydrophobicContact CB-CB 4.47Å; A627-L657 HydrophobicContact CB-CD1 4.33Å; A627-L657 HydrophobicContact CB-CD2 4.42Å |
| 628 | S | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 163.2 | -174.7 | 176.3 | 0 | 0 | 0 | 0 | 112.1 | H608 D610 S611 D630 G631 K632 I654 | H608-S628 WeakPolarHBondContact ND1-CB 3.37Å; D610-S628 PolarHBondContact O-OG 3.11Å; S611-S628 WeakPolarHBondContact O-CA 3.35Å; S611-S628 PolarHBondContact O-OG 3.39Å; S628-D630 PolarHBondContact O-N 2.82Å; S628-D630 PolarHBondContact OG-N 2.84Å; S628-D630 VanDerWaalsContact OG-N 3.1Å; S628-D630 PolarHBondContact OG-OD2 2.8Å; S628-G631 PolarHBondContact O-N 2.95Å; S628-K632 PolarHBondContact N-O 3.39Å; S628-I654 PolarHBondContact O-N 2.92Å |
| 629 | K | 95.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 31.1 Ų | 31.1 | 27% | 0.27 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -17.1 | 164.5 | -71.7 | -167 | -169.2 | 160 | 0 | 113.9 | D610 S611 T613 G631 E653 | D610-K629 HydrophobicContact CB-CB 4.19Å; D610-K629 WeakPolarHBondContact OD2-CB 3.43Å; S611-K629 PolarHBondContact O-N 3.48Å; S611-K629 VanDerWaalsContact O-N 3.1Å; S611-K629 WeakPolarHBondContact OG-CD 3.36Å; S611-K629 WeakPolarHBondContact OG-CE 3.26Å; S611-K629 VanDerWaalsContact OG-CG 3.3Å; S611-K629 WeakPolarHBondContact OG-CG 3.32Å; S611-K629 PolarHBondContact OG-NZ 3.46Å; T613-K629 HydrophobicContact CG2-CG 3.74Å; K629-G631 PolarHBondContact O-N 3.37Å; K629-E653 HydrophobicContact CB-CB 4.15Å; K629-E653 HydrophobicContact CB-CG 3.88Å; K629-E653 HydrophobicContact CD-CG 4.46Å; K629-E653 HydrophobicContact CG-CB 4.14Å; K629-E653 HydrophobicContact CG-CG 4.11Å; K629-E653 WeakPolarHBondContact O-CA 3.47Å; K629-E653 WeakPolarHBondContact O-CG 2.97Å |
| 630 | D | 92.7 | Very high | 93.6 | Very high | 54 Ų | 54 | 34.6 Ų | 34.6 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.5 | 173.7 | -58.7 | -50 | 0 | 0 | 0 | 114.5 | H608 D609 D610 S628 K632 | H608-D630 WeakPolarHBondContact CB-OD2 3.41Å; D609-D630 WeakPolarHBondContact CA-OD2 3.45Å; D609-D630 PolarHBondContact N-OD2 2.81Å; D610-D630 WeakPolarHBondContact CB-OD1 3.46Å; D610-D630 VanDerWaalsContact N-CG 3.28Å; D610-D630 PolarHBondContact N-OD1 2.9Å; D610-D630 VanDerWaalsContact N-OD1 3.12Å; D610-D630 PolarHBondContact N-OD2 2.95Å; S628-D630 PolarHBondContact O-N 2.82Å; S628-D630 PolarHBondContact OG-N 2.84Å; S628-D630 VanDerWaalsContact OG-N 3.1Å; S628-D630 PolarHBondContact OG-OD2 2.8Å; D630-K632 VanDerWaalsContact C-N 3.27Å; D630-K632 PolarHBondContact O-N 2.99Å |
| 631 | G | 91.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 79.2 | 6.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S628 K629 H650 A652 | S628-G631 PolarHBondContact O-N 2.95Å; K629-G631 PolarHBondContact O-N 3.37Å; G631-H650 WeakPolarHBondContact O-CB 3.42Å; G631-A652 WeakPolarHBondContact CA-O 3.42Å |
| 632 | K | 94.2 | Very high | 93.6 | Very high | 79 Ų | 79 | 30.4 Ų | 30.4 | 34% | 0.343 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 142.6 | 179.7 | -63.1 | 177.3 | -174 | 168.6 | 0 | 111.6 | H608 S628 D630 V646 | H608-K632 PolarHBondContact CE1-O 2.98Å; H608-K632 VanDerWaalsContact CE1-O 3.32Å; S628-K632 PolarHBondContact N-O 3.39Å; D630-K632 VanDerWaalsContact C-N 3.27Å; D630-K632 PolarHBondContact O-N 2.99Å; K632-V646 HydrophobicContact CB-CG1 4.39Å; K632-V646 HydrophobicContact CD-CG1 4.3Å; K632-V646 HydrophobicContact CG-CG1 4.48Å |
| 633 | I | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.1 | 166.6 | -50.4 | 169.3 | 0 | 0 | 0 | 107.3 | F625 S626 A627 L647 I654 L657 L666 S668 | F625-I633 HydrophobicContact CB-CG2 4.29Å; F625-I633 HydrophobicContact CD1-CG2 4Å; S626-I633 WeakPolarHBondContact O-CA 3.4Å; A627-I633 HydrophobicContact CB-CG1 4.38Å; I633-L647 HydrophobicContact CB-CB 4.19Å; I633-L647 HydrophobicContact CG2-CD1 4.47Å; I633-L647 PolarHBondContact N-O 3.17Å; I633-L647 VanDerWaalsContact N-O 3.15Å; I633-L647 PolarHBondContact O-N 3.35Å; I633-I654 HydrophobicContact CD1-CD1 3.95Å; I633-I654 HydrophobicContact CG1-CD1 3.31Å; I633-L657 HydrophobicContact CD1-CD1 3.94Å; I633-L657 HydrophobicContact CG1-CD1 4.46Å; I633-L657 HydrophobicContact CG2-CD1 4.31Å; I633-L666 HydrophobicContact CG2-CD2 4.32Å; I633-S668 VanDerWaalsContact CD1-CB 3.47Å |
| 634 | K | 95.3 | Very high | 93.4 | Very high | 22 Ų | 22 | 29 Ų | 29 | 10% | 0.096 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.9 | 178.3 | -65.5 | -177.7 | -174.7 | 178.4 | 0 | 109.9 | A607 H608 F625 S626 W636 K643 T645 V646 | A607-K634 WeakPolarHBondContact O-CD 3.46Å; A607-K634 WeakPolarHBondContact O-CE 3.47Å; A607-K634 PolarHBondContact O-NZ 3.5Å; H608-K634 VanDerWaalsContact CE1-CG 3.49Å; H608-K634 WeakPolarHBondContact CE1-CG 3.38Å; F625-K634 CarbonylContact C-O 3.45Å; F625-K634 WeakPolarHBondContact CA-O 3.41Å; S626-K634 PolarHBondContact N-O 3Å; S626-K634 PolarHBondContact O-N 2.91Å; K634-W636 HydrophobicContact CB-CZ2 4.12Å; K634-W636 VanDerWaalsContact CB-NE1 3.33Å; K634-W636 HydrophobicContact CD-CZ2 3.89Å; K634-K643 HydrophobicContact CD-CD 4.22Å; K634-T645 WeakPolarHBondContact CA-O 3.36Å; K634-V646 HydrophobicContact CD-CG2 4.47Å; K634-V646 HydrophobicContact CG-CG1 4.38Å; K634-V646 HydrophobicContact CG-CG2 4.1Å |
| 635 | Q | 94.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140 | 172.7 | -164.7 | -179.8 | 18.2 | 0 | 0 | 110 | H10 F625 I644 T645 | H10-Q635 PolarHBondContact NE2-NE2 2.94Å; F625-Q635 HydrophobicContact CD1-CB 3.8Å; F625-Q635 HydrophobicContact CD1-CG 3.94Å; F625-Q635 HydrophobicContact CE1-CB 3.56Å; F625-Q635 HydrophobicContact CE1-CG 3.51Å; F625-Q635 HydrophobicContact CE2-CG 4.46Å; F625-Q635 HydrophobicContact CZ-CB 4.36Å; F625-Q635 HydrophobicContact CZ-CG 3.82Å; Q635-I644 HydrophobicContact CB-CB 4.23Å; Q635-I644 HydrophobicContact CG-CB 4.37Å; Q635-I644 HydrophobicContact CG-CD1 4.08Å; Q635-I644 PolarHBondContact O-N 3.32Å; Q635-T645 WeakPolarHBondContact CB-OG1 3.32Å; Q635-T645 PolarHBondContact N-O 3.06Å; Q635-T645 PolarHBondContact OE1-OG1 2.88Å |
| 636 | W | 94.2 | Very high | 92.9 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 7% | 0.068 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.2 | -174.9 | -59.6 | 88.3 | 0 | 0 | 0 | 111.2 | L605 A607 L623 F624 S626 K634 K643 | L605-W636 HydrophobicContact CD1-CE3 4.02Å; L605-W636 HydrophobicContact CD1-CZ3 4.34Å; L605-W636 HydrophobicContact CD2-CZ3 4.45Å; A607-W636 HydrophobicContact CB-CH2 4.44Å; A607-W636 HydrophobicContact CB-CZ2 3.74Å; L623-W636 WeakPolarHBondContact CA-O 3.1Å; F624-W636 HydrophobicContact CD1-CB 3.88Å; F624-W636 HydrophobicContact CD2-CB 4.11Å; F624-W636 HydrophobicContact CD2-CG 4.37Å; F624-W636 HydrophobicContact CE1-CB 3.38Å; F624-W636 HydrophobicContact CE1-CG 4.23Å; F624-W636 HydrophobicContact CE2-CB 3.64Å; F624-W636 AromaticContact CE2-CD1 3.5Å; F624-W636 VanDerWaalsContact CE2-CD1 3.5Å; F624-W636 AromaticContact CE2-CG 3.66Å; F624-W636 HydrophobicContact CE2-CG 3.66Å; F624-W636 HydrophobicContact CG-CB 4.23Å; F624-W636 HydrophobicContact CZ-CB 3.25Å; F624-W636 AromaticContact CZ-CD1 3.94Å; F624-W636 HydrophobicContact CZ-CD2 4.43Å; F624-W636 AromaticContact CZ-CG 3.59Å; F624-W636 HydrophobicContact CZ-CG 3.59Å; F624-W636 PolarHBondContact N-O 2.94Å; F624-W636 PolarHBondContact O-N 2.88Å; S626-W636 PolarHBondContact OG-NE1 3.15Å; K634-W636 HydrophobicContact CB-CZ2 4.12Å; K634-W636 VanDerWaalsContact CB-NE1 3.33Å; K634-W636 HydrophobicContact CD-CZ2 3.89Å; W636-K643 HydrophobicContact CD2-CB 4.46Å; W636-K643 HydrophobicContact CE3-CB 3.89Å; W636-K643 HydrophobicContact CH2-CB 3.93Å; W636-K643 HydrophobicContact CH2-CD 4.47Å; W636-K643 HydrophobicContact CH2-CG 4.22Å; W636-K643 HydrophobicContact CZ2-CB 4.47Å; W636-K643 HydrophobicContact CZ2-CG 4.33Å; W636-K643 HydrophobicContact CZ3-CB 3.61Å; W636-K643 HydrophobicContact CZ3-CG 4.34Å |
| 637 | C | 92.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 5% | 0.047 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.2 | 166.6 | -175.9 | 0 | 0 | 0 | 0 | 109 | Y7 L623 D639 K640 F641 V642 I644 | Y7-C637 HydrophobicContact CE1-CB 4.17Å; L623-C637 HydrophobicContact CD2-CB 4.03Å; C637-D639 VanDerWaalsContact C-N 3.33Å; C637-D639 PolarHBondContact O-N 3.15Å; C637-K640 HydrophobicContact CB-CB 4.49Å; C637-F641 WeakPolarHBondContact O-CA 3.42Å; C637-F641 PolarHBondContact O-N 2.92Å; C637-V642 PolarHBondContact N-O 3.31Å; C637-I644 HydrophobicContact CB-CD1 4.01Å; C637-I644 HydrophobicContact CB-CG1 4.43Å |
| 638 | A | 91.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -29.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L581 I593 F617 H622 F624 F641 | L581-A638 HydrophobicContact CD1-CB 4Å; I593-A638 HydrophobicContact CD1-CB 4.31Å; F617-A638 HydrophobicContact CE1-CB 4.16Å; H622-A638 HydrophobicContact CB-CB 4.4Å; H622-A638 VanDerWaalsContact O-CB 3.24Å; H622-A638 WeakPolarHBondContact O-CB 3.12Å; H622-A638 PolarHBondContact O-N 2.82Å; F624-A638 HydrophobicContact CD1-CB 4.06Å; F624-A638 HydrophobicContact CE1-CB 4.05Å; A638-F641 VanDerWaalsContact O-CD1 3.28Å; A638-F641 WeakPolarHBondContact O-CD1 3.34Å; A638-F641 WeakPolarHBondContact O-CE1 3.45Å; A638-F641 VanDerWaalsContact O-CZ 3.31Å; A638-F641 WeakPolarHBondContact O-CZ 3.49Å |
| 639 | D | 90.6 | Very high | 91.6 | Very high | 95 Ų | 95 | 37.2 Ų | 37.2 | 51% | 0.508 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -44.2 | -179.1 | -59.7 | -38 | 0 | 0 | 0 | 112.6 | H622 C637 F641 | H622-D639 WeakPolarHBondContact CB-OD2 3.46Å; H622-D639 IonicContact CE1-OD1 3.07Å; H622-D639 IonicContact CG-OD1 2.85Å; H622-D639 IonicContact CG-OD2 3.62Å; H622-D639 IonicContact ND1-OD1 2.82Å; H622-D639 PolarHBondContact ND1-OD1 2.91Å; H622-D639 IonicContact ND1-OD2 2.78Å; H622-D639 PolarHBondContact ND1-OD2 3.46Å; C637-D639 VanDerWaalsContact C-N 3.33Å; C637-D639 PolarHBondContact O-N 3.15Å; D639-F641 WeakPolarHBondContact O-CE2 3.19Å |
| 640 | K | 89.1 | Confident | 91.4 | Very high | 115 Ų | 115 | 35 Ų | 35 | 50% | 0.5 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -17.3 | -178.2 | -61.3 | -175.4 | -169.8 | 165.3 | 0 | 112.7 | Y7 C637 V642 | Y7-K640 WeakPolarHBondContact OH-CD 3.29Å; Y7-K640 PolarHBondContact OH-NZ 2.91Å; Y7-K640 VanDerWaalsContact OH-NZ 3.12Å; C637-K640 HydrophobicContact CB-CB 4.49Å; K640-V642 VanDerWaalsContact C-N 3.28Å; K640-V642 HydrophobicContact CB-CB 4.43Å; K640-V642 HydrophobicContact CB-CG2 3.94Å; K640-V642 PolarHBondContact O-N 2.81Å |
| 641 | F | 90.9 | Very high | 91.1 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 20% | 0.197 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 38 | -174.2 | -48 | -79 | 0 | 0 | 0 | 113.3 | I593 H602 R603 L605 C637 A638 D639 | I593-F641 HydrophobicContact CB-CE1 4.23Å; I593-F641 HydrophobicContact CD1-CD1 3.58Å; I593-F641 HydrophobicContact CD1-CE1 3.73Å; I593-F641 HydrophobicContact CG2-CE1 4.22Å; H602-F641 HydrophobicContact CB-CE1 4.02Å; H602-F641 HydrophobicContact CB-CZ 3.75Å; R603-F641 HydrophobicContact CB-CD1 3.59Å; R603-F641 HydrophobicContact CB-CE1 3.71Å; R603-F641 HydrophobicContact CB-CG 4.06Å; R603-F641 HydrophobicContact CB-CZ 4.29Å; R603-F641 HydrophobicContact CG-CD1 4.34Å; R603-F641 HydrophobicContact CG-CG 4.4Å; L605-F641 HydrophobicContact CD2-CB 4.23Å; C637-F641 WeakPolarHBondContact O-CA 3.42Å; C637-F641 PolarHBondContact O-N 2.92Å; A638-F641 VanDerWaalsContact O-CD1 3.28Å; A638-F641 WeakPolarHBondContact O-CD1 3.34Å; A638-F641 WeakPolarHBondContact O-CE1 3.45Å; A638-F641 VanDerWaalsContact O-CZ 3.31Å; A638-F641 WeakPolarHBondContact O-CZ 3.49Å; D639-F641 WeakPolarHBondContact O-CE2 3.19Å |
| 642 | V | 89.5 | Confident | 90.9 | Very high | 47 Ų | 47 | 37 Ų | 37 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 141.1 | -178.2 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | C637 K640 L687 | C637-V642 PolarHBondContact N-O 3.31Å; K640-V642 VanDerWaalsContact C-N 3.28Å; K640-V642 HydrophobicContact CB-CB 4.43Å; K640-V642 HydrophobicContact CB-CG2 3.94Å; K640-V642 PolarHBondContact O-N 2.81Å; V642-L687 HydrophobicContact CG1-CD1 4.01Å |
| 643 | K | 91.4 | Very high | 90.9 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 23% | 0.226 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 129.7 | 170.2 | -174.3 | -173.7 | 65.9 | 169.2 | 0 | 108.7 | K634 W636 V646 E694 | K634-K643 HydrophobicContact CD-CD 4.22Å; W636-K643 HydrophobicContact CD2-CB 4.46Å; W636-K643 HydrophobicContact CE3-CB 3.89Å; W636-K643 HydrophobicContact CH2-CB 3.93Å; W636-K643 HydrophobicContact CH2-CD 4.47Å; W636-K643 HydrophobicContact CH2-CG 4.22Å; W636-K643 HydrophobicContact CZ2-CB 4.47Å; W636-K643 HydrophobicContact CZ2-CG 4.33Å; W636-K643 HydrophobicContact CZ3-CB 3.61Å; W636-K643 HydrophobicContact CZ3-CG 4.34Å; K643-V646 HydrophobicContact CD-CG2 3.84Å; K643-E694 IonicContact NZ-OE1 2.72Å; K643-E694 PolarHBondContact NZ-OE1 2.9Å; K643-E694 IonicContact NZ-OE2 3.35Å; K643-E694 PolarHBondContact NZ-OE2 2.87Å |
| 644 | I | 90.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -57 | -176.2 | -62.4 | 160 | 0 | 0 | 0 | 110.6 | Y7 L623 Q635 C637 L687 | Y7-I644 HydrophobicContact CD1-CD1 3.38Å; Y7-I644 HydrophobicContact CD1-CG1 3.72Å; Y7-I644 HydrophobicContact CD1-CG2 3.98Å; Y7-I644 HydrophobicContact CE1-CD1 3.51Å; Y7-I644 HydrophobicContact CE1-CG1 3.85Å; Y7-I644 HydrophobicContact CG-CD1 4.28Å; Y7-I644 HydrophobicContact CG-CG1 4.19Å; Y7-I644 HydrophobicContact CG-CG2 3.82Å; L623-I644 HydrophobicContact CD2-CD1 3.64Å; Q635-I644 HydrophobicContact CB-CB 4.23Å; Q635-I644 HydrophobicContact CG-CB 4.37Å; Q635-I644 HydrophobicContact CG-CD1 4.08Å; Q635-I644 PolarHBondContact O-N 3.32Å; C637-I644 HydrophobicContact CB-CD1 4.01Å; C637-I644 HydrophobicContact CB-CG1 4.43Å; I644-L687 HydrophobicContact CB-CD2 4.13Å; I644-L687 HydrophobicContact CG1-CD2 4.22Å; I644-L687 HydrophobicContact CG2-CD2 3.96Å |
| 645 | T | 90.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 153.7 | -177.4 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | K634 Q635 L685 | K634-T645 WeakPolarHBondContact CA-O 3.36Å; Q635-T645 WeakPolarHBondContact CB-OG1 3.32Å; Q635-T645 PolarHBondContact N-O 3.06Å; Q635-T645 PolarHBondContact OE1-OG1 2.88Å; T645-L685 HydrophobicContact CG2-CD1 3.19Å; T645-L685 HydrophobicContact CG2-CD2 4.49Å; T645-L685 HydrophobicContact CG2-CG 4.43Å |
| 646 | V | 92.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.9 | 163.6 | -176.2 | 0 | 0 | 0 | 0 | 106.8 | K632 K634 K643 E694 | K632-V646 HydrophobicContact CB-CG1 4.39Å; K632-V646 HydrophobicContact CD-CG1 4.3Å; K632-V646 HydrophobicContact CG-CG1 4.48Å; K634-V646 HydrophobicContact CD-CG2 4.47Å; K634-V646 HydrophobicContact CG-CG1 4.38Å; K634-V646 HydrophobicContact CG-CG2 4.1Å; K643-V646 HydrophobicContact CD-CG2 3.84Å; V646-E694 WeakPolarHBondContact CG2-OE1 3.41Å |
| 647 | L | 92 | Very high | 90.8 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 102.2 | 170.8 | -51.6 | 173.4 | 0 | 0 | 0 | 106.7 | H10 F625 I633 L666 W678 | H10-L647 HydrophobicContact CB-CD1 4.14Å; H10-L647 HydrophobicContact CB-CD2 3.95Å; F625-L647 HydrophobicContact CE1-CD1 4.2Å; I633-L647 HydrophobicContact CB-CB 4.19Å; I633-L647 HydrophobicContact CG2-CD1 4.47Å; I633-L647 PolarHBondContact N-O 3.17Å; I633-L647 VanDerWaalsContact N-O 3.15Å; I633-L647 PolarHBondContact O-N 3.35Å; L647-L666 HydrophobicContact CD1-CD2 3.86Å; L647-W678 HydrophobicContact CB-CD2 4.48Å; L647-W678 HydrophobicContact CB-CE3 4.26Å; L647-W678 HydrophobicContact CB-CH2 3.95Å; L647-W678 HydrophobicContact CB-CZ2 4.18Å; L647-W678 HydrophobicContact CB-CZ3 4Å; L647-W678 HydrophobicContact CD1-CD2 3.99Å; L647-W678 HydrophobicContact CD1-CE3 4.14Å; L647-W678 HydrophobicContact CD1-CG 4.18Å; L647-W678 HydrophobicContact CD2-CE3 4.12Å; L647-W678 HydrophobicContact CD2-CZ3 4.23Å; L647-W678 HydrophobicContact CG-CE3 4.4Å |
| 648 | D | 86.2 | Confident | 91 | Very high | 120 Ų | 120 | 38.6 Ų | 38.6 | 64% | 0.642 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129 | 169.6 | 60.2 | -20.1 | 0 | 0 | 0 | 109.5 | ||
| 649 | G | 83.2 | Confident | 91.1 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | trans | -173.2 | -48.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q40 R676 | Q40-G649 PolarHBondContact OE1-O 3.45Å; G649-R676 PolarHBondContact O-NH1 2.84Å; G649-R676 PolarHBondContact O-NH2 2.93Å | ||
| 650 | H | 90.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 35 Ų | 35 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | trans | -64.8 | 138 | 174.4 | -69.7 | -66.7 | 0 | 0 | 0 | 110.8 | G631 I654 S668 S670 D672 S674 R676 | G631-H650 WeakPolarHBondContact O-CB 3.42Å; H650-I654 HydrophobicContact CB-CD1 4.18Å; H650-I654 HydrophobicContact CB-CG1 4.03Å; H650-S668 WeakPolarHBondContact NE2-CB 3.46Å; H650-S668 PolarHBondContact NE2-OG 3.3Å; H650-S670 WeakPolarHBondContact ND1-CB 3.42Å; H650-D672 IonicContact ND1-OD2 3.72Å; H650-S674 PolarHBondContact CE1-OG 3.03Å; H650-S674 PolarHBondContact ND1-OG 3.19Å; H650-S674 VanDerWaalsContact ND1-OG 3.1Å; H650-R676 VanDerWaalsContact CE1-CD 3.43Å; H650-R676 WeakPolarHBondContact CE1-CD 3.45Å; H650-R676 VanDerWaalsContact CE1-CG 3.47Å; H650-R676 WeakPolarHBondContact CE1-CG 3.3Å | ||
| 651 | L | 85.7 | Confident | 91.2 | Very high | 72 Ų | 72 | 32.8 Ų | 32.8 | 38% | 0.377 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -93.2 | -17.5 | -178.9 | -65.5 | 163.5 | 0 | 0 | 0 | 111.9 | C39 Q40 M61 D672 | C39-L651 HydrophobicContact CB-CD1 3.94Å; Q40-L651 HydrophobicContact CG-CD1 4.27Å; M61-L651 HydrophobicContact CB-CD1 3.68Å; M61-L651 HydrophobicContact CB-CD2 4.47Å; M61-L651 HydrophobicContact CG-CD1 3.83Å; M61-L651 HydrophobicContact SD-CD1 4.24Å; L651-D672 PolarHBondContact N-OD2 2.71Å; L651-D672 VanDerWaalsContact N-OD2 3.17Å |
| 652 | A | 89.1 | Confident | 91.1 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 22% | 0.223 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -132.2 | -177.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G631 I654 S670 H671 D672 | G631-A652 WeakPolarHBondContact CA-O 3.42Å; A652-I654 PolarHBondContact O-N 2.87Å; A652-S670 PolarHBondContact O-OG 2.8Å; A652-H671 HydrophobicContact CB-CB 3.97Å; A652-D672 HydrophobicContact CB-CB 3.96Å |
| 653 | E | 93.6 | Very high | 91 | Very high | 66 Ų | 66 | 32.2 Ų | 32.2 | 31% | 0.308 | 18% | 0.178 | S | C | . | . | trans | -58.5 | 132.3 | -175.8 | -53.1 | 179.2 | 175.1 | 0 | 0 | 112.9 | K629 W655 S670 H671 | K629-E653 HydrophobicContact CB-CB 4.15Å; K629-E653 HydrophobicContact CB-CG 3.88Å; K629-E653 HydrophobicContact CD-CG 4.46Å; K629-E653 HydrophobicContact CG-CB 4.14Å; K629-E653 HydrophobicContact CG-CG 4.11Å; K629-E653 WeakPolarHBondContact O-CA 3.47Å; K629-E653 WeakPolarHBondContact O-CG 2.97Å; E653-W655 VanDerWaalsContact OE2-CZ2 3.28Å; E653-W655 WeakPolarHBondContact OE2-CZ2 3.46Å; E653-W655 PolarHBondContact OE2-NE1 2.93Å; E653-S670 CarbonylContact O-C 3.57Å; E653-S670 WeakPolarHBondContact O-CA 3.44Å; E653-S670 PolarHBondContact O-OG 3Å; E653-H671 HydrophobicContact CB-CB 4.19Å; E653-H671 WeakPolarHBondContact O-CB 3.46Å; E653-H671 PolarHBondContact O-N 3.48Å | ||
| 654 | I | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.4 | 176.1 | -55.9 | 173 | 0 | 0 | 0 | 108.9 | T613 A627 S628 I633 H650 A652 A669 | T613-I654 WeakPolarHBondContact CB-O 3.31Å; T613-I654 WeakPolarHBondContact CG2-O 3.26Å; T613-I654 PolarHBondContact OG1-O 3.45Å; A627-I654 HydrophobicContact CB-CB 4.1Å; A627-I654 HydrophobicContact CB-CD1 4.38Å; A627-I654 HydrophobicContact CB-CG2 3.73Å; S628-I654 PolarHBondContact O-N 2.92Å; I633-I654 HydrophobicContact CD1-CD1 3.95Å; I633-I654 HydrophobicContact CG1-CD1 3.31Å; H650-I654 HydrophobicContact CB-CD1 4.18Å; H650-I654 HydrophobicContact CB-CG1 4.03Å; A652-I654 PolarHBondContact O-N 2.87Å; I654-A669 WeakPolarHBondContact CG2-O 3.46Å |
| 655 | W | 94.2 | Very high | 91 | Very high | 69 Ų | 69 | 34.2 Ų | 34.2 | 26% | 0.261 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -30.1 | -175.9 | -77.6 | 95.7 | 0 | 0 | 0 | 113.9 | I400 R401 C614 E653 A669 H671 | I400-W655 WeakPolarHBondContact O-CB 3.34Å; R401-W655 VanDerWaalsContact NH1-CH2 3.33Å; C614-W655 PolarHBondContact SG-O 2.96Å; C614-W655 VanDerWaalsContact SG-O 3.33Å; E653-W655 VanDerWaalsContact OE2-CZ2 3.28Å; E653-W655 WeakPolarHBondContact OE2-CZ2 3.46Å; E653-W655 PolarHBondContact OE2-NE1 2.93Å; W655-A669 PolarHBondContact N-O 2.73Å; W655-H671 AromaticContact NE1-ND1 3.93Å |
| 656 | A | 94 | Very high | 91.3 | Very high | 6 Ų | 6 | 34 Ų | 34 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A403 S668 A669 | A403-A656 HydrophobicContact CB-CB 4.25Å; A656-S668 WeakPolarHBondContact O-CA 3.49Å; A656-A669 HydrophobicContact CB-CB 4.17Å; A656-A669 PolarHBondContact N-O 3.1Å; A656-A669 PolarHBondContact O-N 3.02Å |
| 657 | L | 95.2 | Very high | 91.4 | Very high | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 134.3 | 176.9 | -166 | 83.6 | 0 | 0 | 0 | 108.8 | C614 K616 F625 A627 I633 L666 L667 | C614-L657 HydrophobicContact CB-CB 3.68Å; K616-L657 HydrophobicContact CB-CD2 4.31Å; F625-L657 HydrophobicContact CB-CD2 3.73Å; A627-L657 HydrophobicContact CB-CB 4.47Å; A627-L657 HydrophobicContact CB-CD1 4.33Å; A627-L657 HydrophobicContact CB-CD2 4.42Å; I633-L657 HydrophobicContact CD1-CD1 3.94Å; I633-L657 HydrophobicContact CG1-CD1 4.46Å; I633-L657 HydrophobicContact CG2-CD1 4.31Å; L657-L666 HydrophobicContact CD1-CD1 3.8Å; L657-L666 HydrophobicContact CD1-CD2 4.41Å; L657-L666 HydrophobicContact CD1-CG 4.21Å; L657-L666 HydrophobicContact CD2-CD1 4.15Å; L657-L666 HydrophobicContact CG-CD1 3.86Å; L657-L667 WeakPolarHBondContact CA-O 3.47Å |
| 658 | D | 95.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 153.6 | 173.5 | -152.8 | 48.2 | 0 | 0 | 0 | 110.8 | A403 K404 F405 L667 | A403-D658 WeakPolarHBondContact O-CB 3.42Å; K404-D658 VanDerWaalsContact CA-OD2 3.3Å; K404-D658 WeakPolarHBondContact CA-OD2 3.42Å; K404-D658 HydrophobicContact CD-CB 4.34Å; K404-D658 VanDerWaalsContact CD-CG 3.49Å; K404-D658 WeakPolarHBondContact CD-OD1 3.34Å; K404-D658 WeakPolarHBondContact CD-OD2 3.13Å; K404-D658 IonicContact NZ-OD1 3.96Å; K404-D658 PolarHBondContact NZ-OD1 2.67Å; F405-D658 HydrophobicContact CD2-CB 4.32Å; F405-D658 PolarHBondContact N-OD2 3.27Å; D658-L667 PolarHBondContact N-O 3.32Å; D658-L667 PolarHBondContact O-N 3.48Å |
| 659 | I | 94.6 | Very high | 92 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 10% | 0.103 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 141 | -176.6 | -61.7 | 168.8 | 0 | 0 | 0 | 108 | K616 F617 V618 F625 L666 | K616-I659 HydrophobicContact CB-CD1 3.55Å; K616-I659 HydrophobicContact CB-CG1 4.1Å; F617-I659 WeakPolarHBondContact O-CD1 3.5Å; V618-I659 HydrophobicContact CG2-CD1 4.06Å; F625-I659 HydrophobicContact CD2-CD1 3.67Å; F625-I659 HydrophobicContact CD2-CG1 4.36Å; F625-I659 HydrophobicContact CE2-CD1 4.3Å; I659-L666 HydrophobicContact CD1-CD1 4.27Å; I659-L666 HydrophobicContact CG1-CD1 3.51Å |
| 660 | S | 93 | Very high | 92.4 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | trans | -61.4 | 151.9 | 175.8 | 76.4 | 0 | 0 | 0 | 0 | 111.2 | N409 T662 G663 C664 F665 | N409-S660 WeakPolarHBondContact OD1-CA 3.17Å; N409-S660 VanDerWaalsContact OD1-CB 3.27Å; N409-S660 WeakPolarHBondContact OD1-CB 3.44Å; S660-T662 PolarHBondContact O-N 3.36Å; S660-T662 VanDerWaalsContact O-N 3.07Å; S660-T662 PolarHBondContact OG-OG1 3.25Å; S660-G663 PolarHBondContact O-N 3.21Å; S660-G663 PolarHBondContact OG-N 3.22Å; S660-G663 VanDerWaalsContact OG-N 3.13Å; S660-C664 PolarHBondContact OG-N 3.28Å; S660-C664 VanDerWaalsContact OG-N 3.13Å; S660-F665 PolarHBondContact N-O 3.41Å; S660-F665 PolarHBondContact OG-N 3.1Å; S660-F665 VanDerWaalsContact OG-N 3.13Å; S660-F665 PolarHBondContact OG-O 3.1Å | ||
| 661 | S | 88.9 | Confident | 92.5 | Very high | 67 Ų | 67 | 28.6 Ų | 28.6 | 47% | 0.469 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.7 | 177.3 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | N407 N409 P619 | N407-S661 PolarHBondContact O-OG 2.89Å; N407-S661 VanDerWaalsContact O-OG 3.08Å; N409-S661 PolarHBondContact ND2-OG 3.46Å; N409-S661 PolarHBondContact OD1-N 2.59Å; N409-S661 PolarHBondContact OD1-OG 3.35Å; P619-S661 VanDerWaalsContact CG-O 3.3Å; P619-S661 WeakPolarHBondContact CG-O 3.48Å |
| 662 | T | 88.1 | Confident | 92.5 | Very high | 79 Ų | 79 | 25.8 Ų | 25.8 | 49% | 0.485 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -17.6 | 174.7 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | S660 C664 | S660-T662 PolarHBondContact O-N 3.36Å; S660-T662 VanDerWaalsContact O-N 3.07Å; S660-T662 PolarHBondContact OG-OG1 3.25Å; T662-C664 VanDerWaalsContact C-N 3.26Å; T662-C664 PolarHBondContact O-N 2.95Å |
| 663 | G | 87.5 | Confident | 92.5 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 72.6 | 11.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115 | S660 | S660-G663 PolarHBondContact O-N 3.21Å; S660-G663 PolarHBondContact OG-N 3.22Å; S660-G663 VanDerWaalsContact OG-N 3.13Å |
| 664 | C | 89.3 | Confident | 92.4 | Very high | 41 Ų | 41 | 21.7 Ų | 21.7 | 28% | 0.277 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -86.7 | -34.1 | 179 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | S660 T662 R680 | S660-C664 PolarHBondContact OG-N 3.28Å; S660-C664 VanDerWaalsContact OG-N 3.13Å; T662-C664 VanDerWaalsContact C-N 3.26Å; T662-C664 PolarHBondContact O-N 2.95Å; C664-R680 WeakPolarHBondContact O-CB 3.44Å; C664-R680 PolarHBondContact O-N 2.9Å |
| 665 | F | 93.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 21.7 Ų | 21.7 | 25% | 0.246 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.4 | -178.3 | -57.5 | -74.5 | 0 | 0 | 0 | 110.5 | F405 S660 M677 W678 E679 | F405-F665 HydrophobicContact CZ-CB 3.95Å; S660-F665 PolarHBondContact N-O 3.41Å; S660-F665 PolarHBondContact OG-N 3.1Å; S660-F665 VanDerWaalsContact OG-N 3.13Å; S660-F665 PolarHBondContact OG-O 3.1Å; F665-M677 HydrophobicContact CB-CG 4.4Å; F665-M677 HydrophobicContact CB-SD 4.49Å; F665-M677 HydrophobicContact CD1-CG 4.25Å; F665-M677 HydrophobicContact CD1-SD 4.07Å; F665-M677 HydrophobicContact CG-SD 4.4Å; F665-W678 CarbonylContact C-O 3.58Å; F665-W678 WeakPolarHBondContact CA-O 3.36Å; F665-E679 HydrophobicContact CD1-CB 4.01Å; F665-E679 HydrophobicContact CD1-CG 4.21Å; F665-E679 HydrophobicContact CE1-CB 3.91Å; F665-E679 HydrophobicContact CE1-CG 3.74Å |
| 666 | L | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.9 | 172.4 | 172 | 77.5 | 0 | 0 | 0 | 107.8 | F625 I633 L647 L657 I659 M677 W678 | F625-L666 HydrophobicContact CB-CD1 4.47Å; F625-L666 HydrophobicContact CD1-CD2 3.93Å; F625-L666 HydrophobicContact CD2-CD1 3.95Å; F625-L666 HydrophobicContact CD2-CD2 4.44Å; F625-L666 HydrophobicContact CE1-CD2 3.91Å; F625-L666 HydrophobicContact CE2-CD1 4.3Å; F625-L666 HydrophobicContact CE2-CD2 4.4Å; F625-L666 HydrophobicContact CG-CD1 4.14Å; F625-L666 HydrophobicContact CG-CD2 4.19Å; F625-L666 HydrophobicContact CZ-CD2 4.14Å; I633-L666 HydrophobicContact CG2-CD2 4.32Å; L647-L666 HydrophobicContact CD1-CD2 3.86Å; L657-L666 HydrophobicContact CD1-CD1 3.8Å; L657-L666 HydrophobicContact CD1-CD2 4.41Å; L657-L666 HydrophobicContact CD1-CG 4.21Å; L657-L666 HydrophobicContact CD2-CD1 4.15Å; L657-L666 HydrophobicContact CG-CD1 3.86Å; I659-L666 HydrophobicContact CD1-CD1 4.27Å; I659-L666 HydrophobicContact CG1-CD1 3.51Å; L666-M677 CarbonylContact O-C 3.5Å; L666-M677 WeakPolarHBondContact O-CA 3.49Å; L666-W678 HydrophobicContact CB-CB 4.14Å; L666-W678 HydrophobicContact CD2-CB 4.37Å; L666-W678 HydrophobicContact CD2-CG 4.25Å; L666-W678 PolarHBondContact N-O 3.21Å; L666-W678 PolarHBondContact O-N 2.92Å |
| 667 | L | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.2 | 177.3 | -171.4 | 134.3 | 0 | 0 | 0 | 110.1 | A403 F405 F412 L657 D658 I675 | A403-L667 HydrophobicContact CB-CD2 3.14Å; F405-L667 HydrophobicContact CD2-CB 4.26Å; F405-L667 HydrophobicContact CE1-CB 4.41Å; F405-L667 HydrophobicContact CE1-CD1 4.18Å; F405-L667 HydrophobicContact CE2-CB 3.38Å; F405-L667 HydrophobicContact CZ-CB 3.49Å; F405-L667 VanDerWaalsContact CZ-CB 3.49Å; F405-L667 HydrophobicContact CZ-CD1 4.01Å; F405-L667 HydrophobicContact CZ-CG 4.39Å; F412-L667 HydrophobicContact CB-CD1 3.92Å; F412-L667 HydrophobicContact CD1-CD1 3.73Å; F412-L667 HydrophobicContact CD2-CD1 3.47Å; F412-L667 VanDerWaalsContact CD2-CD1 3.47Å; F412-L667 HydrophobicContact CE1-CD1 4.02Å; F412-L667 HydrophobicContact CE2-CD1 3.78Å; F412-L667 HydrophobicContact CG-CD1 3.43Å; F412-L667 VanDerWaalsContact CG-CD1 3.43Å; F412-L667 HydrophobicContact CZ-CD1 4.02Å; L657-L667 WeakPolarHBondContact CA-O 3.47Å; D658-L667 PolarHBondContact N-O 3.32Å; D658-L667 PolarHBondContact O-N 3.48Å; L667-I675 HydrophobicContact CD1-CG2 3.93Å; L667-I675 HydrophobicContact CD2-CG2 3.94Å; L667-I675 HydrophobicContact CG-CG2 3.88Å |
| 668 | S | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 133.1 | -175.6 | 54.3 | 0 | 0 | 0 | 0 | 110 | I633 H650 A656 I675 R676 W678 | I633-S668 VanDerWaalsContact CD1-CB 3.47Å; H650-S668 WeakPolarHBondContact NE2-CB 3.46Å; H650-S668 PolarHBondContact NE2-OG 3.3Å; A656-S668 WeakPolarHBondContact O-CA 3.49Å; S668-I675 CarbonylContact O-C 3.55Å; S668-I675 WeakPolarHBondContact O-CA 3.12Å; S668-R676 PolarHBondContact N-O 2.79Å; S668-R676 PolarHBondContact O-N 2.81Å; S668-R676 PolarHBondContact OG-O 3.25Å; S668-W678 PolarHBondContact OG-NE1 2.79Å |
| 669 | A | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.7 | -180 | 0 | 0 | 0 | 0 | 0 | 110.7 | I400 A403 I654 W655 A656 I675 | I400-A669 HydrophobicContact CB-CB 3.96Å; I400-A669 HydrophobicContact CD1-CB 4.38Å; I400-A669 HydrophobicContact CG2-CB 3.64Å; A403-A669 HydrophobicContact CB-CB 4.34Å; I654-A669 WeakPolarHBondContact CG2-O 3.46Å; W655-A669 PolarHBondContact N-O 2.73Å; A656-A669 HydrophobicContact CB-CB 4.17Å; A656-A669 PolarHBondContact N-O 3.1Å; A656-A669 PolarHBondContact O-N 3.02Å; A669-I675 HydrophobicContact CB-CG1 4.29Å |
| 670 | S | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 162.8 | -171.8 | 167.3 | 0 | 0 | 0 | 0 | 112.6 | H650 A652 E653 D672 H673 S674 | H650-S670 WeakPolarHBondContact ND1-CB 3.42Å; A652-S670 PolarHBondContact O-OG 2.8Å; E653-S670 CarbonylContact O-C 3.57Å; E653-S670 WeakPolarHBondContact O-CA 3.44Å; E653-S670 PolarHBondContact O-OG 3Å; S670-D672 WeakPolarHBondContact CB-OD1 3.27Å; S670-D672 PolarHBondContact O-N 2.77Å; S670-D672 PolarHBondContact OG-N 3.14Å; S670-D672 PolarHBondContact OG-OD1 3Å; S670-D672 PolarHBondContact OG-OD2 3.49Å; S670-H673 PolarHBondContact O-N 2.77Å; S670-S674 PolarHBondContact N-O 3.09Å |
| 671 | H | 91.2 | Very high | 91.7 | Very high | 69 Ų | 69 | 28 Ų | 28 | 32% | 0.319 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21.6 | 174.4 | -169.8 | 85.5 | 0 | 0 | 0 | 112.8 | H399 A652 E653 W655 H673 | H399-H671 AromaticContact CD2-CE1 3.3Å; H399-H671 PolarHBondContact CD2-CE1 3.38Å; H399-H671 AromaticContact CD2-ND1 3.65Å; H399-H671 AromaticContact CE1-CD2 3.78Å; H399-H671 AromaticContact CE1-CE1 3.04Å; H399-H671 PolarHBondContact CE1-CE1 3.46Å; H399-H671 AromaticContact CE1-ND1 3.62Å; H399-H671 AromaticContact CE1-NE2 3.13Å; H399-H671 PolarHBondContact CE1-NE2 3.02Å; H399-H671 AromaticContact CG-CE1 3.3Å; H399-H671 AromaticContact CG-CG 3.97Å; H399-H671 AromaticContact CG-ND1 3.2Å; H399-H671 AromaticContact ND1-CD2 3.69Å; H399-H671 AromaticContact ND1-CE1 3.15Å; H399-H671 PolarHBondContact ND1-CE1 3.13Å; H399-H671 AromaticContact ND1-CG 3.55Å; H399-H671 AromaticContact ND1-ND1 3.19Å; H399-H671 PolarHBondContact ND1-ND1 3.34Å; H399-H671 VanDerWaalsContact ND1-ND1 3.19Å; H399-H671 AromaticContact ND1-NE2 3.46Å; H399-H671 PolarHBondContact ND1-NE2 2.9Å; H399-H671 PolarHBondContact ND1-O 3.16Å; H399-H671 AromaticContact NE2-CE1 3.16Å; H399-H671 PolarHBondContact NE2-CE1 2.75Å; H399-H671 AromaticContact NE2-ND1 3.91Å; H399-H671 AromaticContact NE2-NE2 3.61Å; A652-H671 HydrophobicContact CB-CB 3.97Å; E653-H671 HydrophobicContact CB-CB 4.19Å; E653-H671 WeakPolarHBondContact O-CB 3.46Å; E653-H671 PolarHBondContact O-N 3.48Å; W655-H671 AromaticContact NE1-ND1 3.93Å; H671-H673 PolarHBondContact O-N 3.5Å |
| 672 | D | 86.5 | Confident | 91.6 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.07 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 7.3 | 172 | 62.2 | 18 | 0 | 0 | 0 | 113.6 | H650 L651 A652 S670 S674 | H650-D672 IonicContact ND1-OD2 3.72Å; L651-D672 PolarHBondContact N-OD2 2.71Å; L651-D672 VanDerWaalsContact N-OD2 3.17Å; A652-D672 HydrophobicContact CB-CB 3.96Å; S670-D672 WeakPolarHBondContact CB-OD1 3.27Å; S670-D672 PolarHBondContact O-N 2.77Å; S670-D672 PolarHBondContact OG-N 3.14Å; S670-D672 PolarHBondContact OG-OD1 3Å; S670-D672 PolarHBondContact OG-OD2 3.49Å; D672-S674 PolarHBondContact O-N 3.03Å; D672-S674 WeakPolarHBondContact OD1-CA 3.39Å; D672-S674 WeakPolarHBondContact OD1-CB 3.31Å; D672-S674 PolarHBondContact OD1-N 3.39Å; D672-S674 PolarHBondContact OD1-OG 3.01Å; D672-S674 PolarHBondContact OD2-OG 3.25Å |
| 673 | H | 88.6 | Confident | 91.5 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 2% | 0.023 | 17% | 0.167 | C | C | . | . | S | Bend | trans | 66.1 | 5.6 | -174 | -51.3 | -79.8 | 0 | 0 | 0 | 114.2 | N17 T398 H399 I400 S670 H671 | N17-H673 PolarHBondContact ND2-O 3.46Å; T398-H673 VanDerWaalsContact C-CE1 3.42Å; T398-H673 PolarHBondContact O-CE1 3.29Å; T398-H673 PolarHBondContact O-ND1 2.84Å; H399-H673 AromaticContact CE1-CE1 3.88Å; H399-H673 AromaticContact CE1-NE2 3.95Å; H399-H673 AromaticContact ND1-CE1 3.52Å; H399-H673 AromaticContact ND1-NE2 3.84Å; I400-H673 WeakPolarHBondContact CD1-O 3.47Å; S670-H673 PolarHBondContact O-N 2.77Å; H671-H673 PolarHBondContact O-N 3.5Å |
| 674 | S | 91.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | trans | -83.6 | 139 | 177.1 | 78.4 | 0 | 0 | 0 | 0 | 111.7 | V18 H650 S670 D672 | V18-S674 VanDerWaalsContact CG2-CA 3.43Å; H650-S674 PolarHBondContact CE1-OG 3.03Å; H650-S674 PolarHBondContact ND1-OG 3.19Å; H650-S674 VanDerWaalsContact ND1-OG 3.1Å; S670-S674 PolarHBondContact N-O 3.09Å; D672-S674 PolarHBondContact O-N 3.03Å; D672-S674 WeakPolarHBondContact OD1-CA 3.39Å; D672-S674 WeakPolarHBondContact OD1-CB 3.31Å; D672-S674 PolarHBondContact OD1-N 3.39Å; D672-S674 PolarHBondContact OD1-OG 3.01Å; D672-S674 PolarHBondContact OD2-OG 3.25Å | ||
| 675 | I | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.6 | 165.2 | -56.5 | 172.9 | 0 | 0 | 0 | 106 | W15 C16 N17 I400 F412 L667 S668 A669 | W15-I675 CarbonylContact C-O 3.58Å; W15-I675 WeakPolarHBondContact CA-O 3.32Å; C16-I675 PolarHBondContact N-O 2.85Å; C16-I675 PolarHBondContact O-N 2.83Å; N17-I675 HydrophobicContact CB-CD1 3.96Å; N17-I675 HydrophobicContact CB-CG1 4.07Å; I400-I675 HydrophobicContact CD1-CD1 4.18Å; I400-I675 HydrophobicContact CD1-CG1 3.66Å; I400-I675 HydrophobicContact CG1-CD1 4.41Å; I400-I675 HydrophobicContact CG1-CG1 4.37Å; F412-I675 HydrophobicContact CE2-CD1 4.19Å; F412-I675 HydrophobicContact CE2-CG2 3.84Å; F412-I675 HydrophobicContact CZ-CG2 4.23Å; L667-I675 HydrophobicContact CD1-CG2 3.93Å; L667-I675 HydrophobicContact CD2-CG2 3.94Å; L667-I675 HydrophobicContact CG-CG2 3.88Å; S668-I675 CarbonylContact O-C 3.55Å; S668-I675 WeakPolarHBondContact O-CA 3.12Å; A669-I675 HydrophobicContact CB-CG1 4.29Å |
| 676 | R | 93.6 | Very high | 90.6 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 4% | 0.038 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.1 | -178.1 | -66.8 | -176.5 | -168.7 | -140.5 | -1.3 | 110.1 | L12 W15 G649 H650 S668 | L12-R676 HydrophobicContact CD1-CB 3.68Å; L12-R676 HydrophobicContact CD1-CG 3.98Å; W15-R676 HydrophobicContact CB-CG 3.99Å; G649-R676 PolarHBondContact O-NH1 2.84Å; G649-R676 PolarHBondContact O-NH2 2.93Å; H650-R676 VanDerWaalsContact CE1-CD 3.43Å; H650-R676 WeakPolarHBondContact CE1-CD 3.45Å; H650-R676 VanDerWaalsContact CE1-CG 3.47Å; H650-R676 WeakPolarHBondContact CE1-CG 3.3Å; S668-R676 PolarHBondContact N-O 2.79Å; S668-R676 PolarHBondContact O-N 2.81Å; S668-R676 PolarHBondContact OG-O 3.25Å |
| 677 | M | 94 | Very high | 90 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.7 | 174.1 | -174.1 | 172.3 | 62.7 | 0 | 0 | 109.2 | A13 G14 C425 M428 F665 L666 | A13-M677 HydrophobicContact CB-CE 4.06Å; A13-M677 PolarHBondContact N-O 3.2Å; G14-M677 PolarHBondContact N-O 2.94Å; G14-M677 PolarHBondContact O-N 3.12Å; C425-M677 HydrophobicContact CB-SD 4.21Å; C425-M677 WeakPolarHBondContact O-CE 3.29Å; M428-M677 HydrophobicContact CE-CB 3.78Å; M428-M677 HydrophobicContact SD-CE 4.09Å; F665-M677 HydrophobicContact CB-CG 4.4Å; F665-M677 HydrophobicContact CB-SD 4.49Å; F665-M677 HydrophobicContact CD1-CG 4.25Å; F665-M677 HydrophobicContact CD1-SD 4.07Å; F665-M677 HydrophobicContact CG-SD 4.4Å; L666-M677 CarbonylContact O-C 3.5Å; L666-M677 WeakPolarHBondContact O-CA 3.49Å |
| 678 | W | 94.6 | Very high | 89.4 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.8 | 178 | -48 | 81.7 | 0 | 0 | 0 | 109 | V11 L12 L647 F665 L666 S668 | V11-W678 CarbonylContact O-C 3.58Å; V11-W678 VanDerWaalsContact O-CA 3.22Å; V11-W678 WeakPolarHBondContact O-CA 3.43Å; L12-W678 HydrophobicContact CB-CE3 3.97Å; L12-W678 HydrophobicContact CB-CZ3 3.88Å; L12-W678 HydrophobicContact CD1-CD2 4.19Å; L12-W678 HydrophobicContact CD1-CE3 4.28Å; L12-W678 HydrophobicContact CD1-CH2 4.31Å; L12-W678 HydrophobicContact CD1-CZ2 4.21Å; L12-W678 HydrophobicContact CD1-CZ3 4.34Å; L647-W678 HydrophobicContact CB-CD2 4.48Å; L647-W678 HydrophobicContact CB-CE3 4.26Å; L647-W678 HydrophobicContact CB-CH2 3.95Å; L647-W678 HydrophobicContact CB-CZ2 4.18Å; L647-W678 HydrophobicContact CB-CZ3 4Å; L647-W678 HydrophobicContact CD1-CD2 3.99Å; L647-W678 HydrophobicContact CD1-CE3 4.14Å; L647-W678 HydrophobicContact CD1-CG 4.18Å; L647-W678 HydrophobicContact CD2-CE3 4.12Å; L647-W678 HydrophobicContact CD2-CZ3 4.23Å; L647-W678 HydrophobicContact CG-CE3 4.4Å; F665-W678 CarbonylContact C-O 3.58Å; F665-W678 WeakPolarHBondContact CA-O 3.36Å; L666-W678 HydrophobicContact CB-CB 4.14Å; L666-W678 HydrophobicContact CD2-CB 4.37Å; L666-W678 HydrophobicContact CD2-CG 4.25Å; L666-W678 PolarHBondContact N-O 3.21Å; L666-W678 PolarHBondContact O-N 2.92Å; S668-W678 PolarHBondContact OG-NE1 2.79Å |
| 679 | E | 92.6 | Very high | 88.9 | Confident | 88 Ų | 88 | 54.1 Ų | 54.1 | 41% | 0.411 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.4 | 176.7 | 178.1 | 171.4 | -164.9 | 0 | 0 | 110.1 | H10 V11 A13 F665 | H10-E679 CarbonylContact C-O 3.58Å; H10-E679 VanDerWaalsContact CA-O 3.31Å; H10-E679 WeakPolarHBondContact CA-O 3.41Å; V11-E679 PolarHBondContact N-O 2.84Å; V11-E679 PolarHBondContact O-N 3.04Å; A13-E679 HydrophobicContact CB-CB 3.79Å; F665-E679 HydrophobicContact CD1-CB 4.01Å; F665-E679 HydrophobicContact CD1-CG 4.21Å; F665-E679 HydrophobicContact CE1-CB 3.91Å; F665-E679 HydrophobicContact CE1-CG 3.74Å |
| 680 | R | 91.6 | Very high | 88.2 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 115.7 | 173.1 | -168.8 | 176.7 | 63.9 | 168.8 | -6.6 | 110.1 | L8 K9 C664 | L8-R680 HydrophobicContact CB-CG 3.68Å; L8-R680 HydrophobicContact CD1-CG 4.12Å; K9-R680 CarbonylContact O-C 3.59Å; K9-R680 WeakPolarHBondContact O-CA 3.39Å; C664-R680 WeakPolarHBondContact O-CB 3.44Å; C664-R680 PolarHBondContact O-N 2.9Å |
| 681 | T | 88.7 | Confident | 87.7 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 23% | 0.233 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 171.4 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | K9 V11 | K9-T681 PolarHBondContact O-N 2.79Å; K9-T681 PolarHBondContact O-OG1 3.37Å; V11-T681 HydrophobicContact CB-CG2 3.96Å; V11-T681 HydrophobicContact CG2-CG2 3.6Å |
| 682 | E | 86.5 | Confident | 87.3 | Confident | 188 Ų | 188 | 60.3 Ų | 60.3 | 88% | 0.879 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | -1.5 | 174.4 | -60.9 | -169.1 | 163.3 | 0 | 0 | 113.1 | L684 | E682-L684 PolarHBondContact O-N 2.92Å |
| 683 | E | 85.7 | Confident | 87.2 | Confident | 111 Ų | 111 | 63.9 Ų | 63.9 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 125.6 | 178.2 | -64.4 | -177 | 169.2 | 0 | 0 | 110.4 | L8 K9 | L8-E683 WeakPolarHBondContact CA-O 3.37Å; K9-E683 HydrophobicContact CB-CB 4.15Å; K9-E683 WeakPolarHBondContact CD-OE2 3.44Å; K9-E683 PolarHBondContact N-O 3.1Å; K9-E683 IonicContact NZ-OE2 3.7Å |
| 684 | L | 85.5 | Confident | 86.8 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 56% | 0.56 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 131.7 | 176.2 | -65.3 | 167.9 | 0 | 0 | 0 | 109.3 | N6 L8 E682 | N6-L684 WeakPolarHBondContact O-CD2 3.44Å; L8-L684 HydrophobicContact CD2-CD2 4.09Å; E682-L684 PolarHBondContact O-N 2.92Å |
| 685 | L | 82.2 | Confident | 86.4 | Confident | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -97 | 130.6 | 174.8 | -75.3 | 163.2 | 0 | 0 | 0 | 111.2 | Y7 K9 T645 E690 | Y7-L685 WeakPolarHBondContact O-CB 3.44Å; Y7-L685 PolarHBondContact O-N 2.99Å; K9-L685 VanDerWaalsContact CA-CD1 3.41Å; K9-L685 HydrophobicContact CB-CD1 3.76Å; K9-L685 HydrophobicContact CB-CD2 4.22Å; K9-L685 HydrophobicContact CB-CG 3.81Å; K9-L685 HydrophobicContact CD-CD2 4.21Å; K9-L685 HydrophobicContact CG-CD1 4.07Å; K9-L685 HydrophobicContact CG-CD2 4.13Å; K9-L685 HydrophobicContact CG-CG 4.23Å; T645-L685 HydrophobicContact CG2-CD1 3.19Å; T645-L685 HydrophobicContact CG2-CD2 4.49Å; T645-L685 HydrophobicContact CG2-CG 4.43Å; L685-E690 HydrophobicContact CD2-CG 3.93Å; L685-E690 WeakPolarHBondContact CD2-OE1 3.35Å |
| 686 | V | 83.8 | Confident | 85.8 | Confident | 67 Ų | 67 | 79 Ų | 79 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | trans | -96 | 114 | 168.1 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | Q688 E689 E690 | V686-Q688 HydrophobicContact CG1-CB 4.3Å; V686-Q688 PolarHBondContact O-N 3.34Å; V686-Q688 VanDerWaalsContact O-N 3.1Å; V686-E689 HydrophobicContact CB-CB 4.28Å; V686-E689 HydrophobicContact CB-CG 3.9Å; V686-E689 HydrophobicContact CG1-CG 4.1Å; V686-E689 PolarHBondContact O-N 3.01Å; V686-E690 PolarHBondContact O-N 2.84Å | ||
| 687 | L | 82.6 | Confident | 85.1 | Confident | 40 Ų | 40 | 82.4 Ų | 82.4 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56 | -32.4 | -176.3 | -63.1 | 178.7 | 0 | 0 | 0 | 113.5 | Y7 V642 I644 E691 | Y7-L687 HydrophobicContact CD2-CD1 4.02Å; Y7-L687 HydrophobicContact CD2-CD2 3.92Å; Y7-L687 HydrophobicContact CD2-CG 3.92Å; Y7-L687 HydrophobicContact CE2-CD1 3.6Å; Y7-L687 HydrophobicContact CE2-CD2 4.28Å; Y7-L687 HydrophobicContact CE2-CG 4.05Å; Y7-L687 HydrophobicContact CG-CD2 4.45Å; V642-L687 HydrophobicContact CG1-CD1 4.01Å; I644-L687 HydrophobicContact CB-CD2 4.13Å; I644-L687 HydrophobicContact CG1-CD2 4.22Å; I644-L687 HydrophobicContact CG2-CD2 3.96Å; L687-E691 WeakPolarHBondContact O-CG 3.1Å; L687-E691 PolarHBondContact O-N 3.33Å; L687-E691 VanDerWaalsContact O-N 3.14Å |
| 688 | Q | 83.4 | Confident | 84.5 | Confident | 141 Ų | 141 | 84.7 Ų | 84.7 | 66% | 0.659 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.5 | -40.7 | 177.8 | -70.9 | 176.9 | -26 | 0 | 0 | 111.9 | V686 E691 D692 | V686-Q688 HydrophobicContact CG1-CB 4.3Å; V686-Q688 PolarHBondContact O-N 3.34Å; V686-Q688 VanDerWaalsContact O-N 3.1Å; Q688-E691 PolarHBondContact O-N 2.76Å; Q688-D692 WeakPolarHBondContact O-CB 3.36Å; Q688-D692 VanDerWaalsContact O-CG 3.3Å; Q688-D692 PolarHBondContact O-N 3.49Å |
| 689 | E | 82.9 | Confident | 83.7 | Confident | 126 Ų | 126 | 90 Ų | 90 | 59% | 0.589 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.5 | -39 | 179.8 | -65 | 176.4 | 173.7 | 0 | 0 | 111.2 | V686 D692 L693 | V686-E689 HydrophobicContact CB-CB 4.28Å; V686-E689 HydrophobicContact CB-CG 3.9Å; V686-E689 HydrophobicContact CG1-CG 4.1Å; V686-E689 PolarHBondContact O-N 3.01Å; E689-D692 PolarHBondContact O-N 2.78Å; E689-L693 VanDerWaalsContact O-CB 3.29Å; E689-L693 WeakPolarHBondContact O-CB 3.39Å; E689-L693 PolarHBondContact O-N 3Å |
| 690 | E | 80.3 | Confident | 82.7 | Confident | 41 Ų | 41 | 87.6 Ų | 87.6 | 19% | 0.192 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.1 | -42.7 | 174.2 | -74.4 | -72.6 | 154.8 | 0 | 0 | 112 | L685 V686 L693 E694 | L685-E690 HydrophobicContact CD2-CG 3.93Å; L685-E690 WeakPolarHBondContact CD2-OE1 3.35Å; V686-E690 PolarHBondContact O-N 2.84Å; E690-L693 PolarHBondContact O-N 3.4Å; E690-E694 WeakPolarHBondContact O-CG 3.36Å; E690-E694 PolarHBondContact O-N 3.15Å |
| 691 | E | 82.3 | Confident | 81.8 | Confident | 90 Ų | 90 | 90 Ų | 90 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 175.8 | -73.6 | -179 | 177.2 | 0 | 0 | 112.8 | L687 Q688 R695 | L687-E691 WeakPolarHBondContact O-CG 3.1Å; L687-E691 PolarHBondContact O-N 3.33Å; L687-E691 VanDerWaalsContact O-N 3.14Å; Q688-E691 PolarHBondContact O-N 2.76Å; E691-R695 PolarHBondContact O-N 2.82Å; E691-R695 PolarHBondContact O-NE 2.99Å |
| 692 | D | 82.5 | Confident | 81.2 | Confident | 67 Ų | 67 | 91.1 Ų | 91.1 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 174 | -74.2 | -36.4 | 0 | 0 | 0 | 110.6 | Q688 E689 E694 R695 E696 | Q688-D692 WeakPolarHBondContact O-CB 3.36Å; Q688-D692 VanDerWaalsContact O-CG 3.3Å; Q688-D692 PolarHBondContact O-N 3.49Å; E689-D692 PolarHBondContact O-N 2.78Å; D692-E694 PolarHBondContact O-N 3.19Å; D692-R695 WeakPolarHBondContact O-CB 3.49Å; D692-R695 PolarHBondContact O-N 2.89Å; D692-R695 VanDerWaalsContact O-N 3.11Å; D692-R695 IonicContact OD1-CZ 3.88Å; D692-R695 IonicContact OD1-NH1 3.6Å; D692-R695 PolarHBondContact OD1-NH1 2.81Å; D692-R695 IonicContact OD1-NH2 2.61Å; D692-R695 PolarHBondContact OD1-NH2 2.93Å; D692-E696 WeakPolarHBondContact O-CG 3.39Å; D692-E696 PolarHBondContact O-N 3.04Å |
| 693 | L | 84.5 | Confident | 80.5 | Confident | 88 Ų | 88 | 85.2 Ų | 85.2 | 46% | 0.461 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 178.7 | -175.7 | 137.1 | 0 | 0 | 0 | 112.3 | E689 E690 R695 E696 L697 | E689-L693 VanDerWaalsContact O-CB 3.29Å; E689-L693 WeakPolarHBondContact O-CB 3.39Å; E689-L693 PolarHBondContact O-N 3Å; E690-L693 PolarHBondContact O-N 3.4Å; L693-R695 VanDerWaalsContact C-N 3.3Å; L693-R695 PolarHBondContact O-N 2.84Å; L693-E696 PolarHBondContact O-N 2.83Å; L693-L697 HydrophobicContact CD2-CD1 3.67Å; L693-L697 HydrophobicContact CD2-CG 4.34Å; L693-L697 HydrophobicContact CG-CD1 4.5Å; L693-L697 WeakPolarHBondContact O-CG 3.46Å; L693-L697 PolarHBondContact O-N 2.89Å |
| 694 | E | 80.7 | Confident | 79.5 | Confident | 67 Ų | 67 | 82.5 Ų | 82.5 | 31% | 0.313 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 173.7 | -77.2 | -174.4 | 162 | 0 | 0 | 112.5 | K643 V646 E690 D692 L697 A698 | K643-E694 IonicContact NZ-OE1 2.72Å; K643-E694 PolarHBondContact NZ-OE1 2.9Å; K643-E694 IonicContact NZ-OE2 3.35Å; K643-E694 PolarHBondContact NZ-OE2 2.87Å; V646-E694 WeakPolarHBondContact CG2-OE1 3.41Å; E690-E694 WeakPolarHBondContact O-CG 3.36Å; E690-E694 PolarHBondContact O-N 3.15Å; D692-E694 PolarHBondContact O-N 3.19Å; E694-L697 PolarHBondContact O-N 3.04Å; E694-A698 WeakPolarHBondContact O-CB 3.31Å; E694-A698 PolarHBondContact O-N 2.72Å |
| 695 | R | 83.9 | Confident | 78.5 | Confident | 133 Ų | 133 | 83.6 Ų | 83.6 | 50% | 0.502 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 176.4 | -84.7 | -173.7 | -89.9 | 117.5 | -5.5 | 111.5 | E691 D692 L693 A698 Q699 | E691-R695 PolarHBondContact O-N 2.82Å; E691-R695 PolarHBondContact O-NE 2.99Å; D692-R695 WeakPolarHBondContact O-CB 3.49Å; D692-R695 PolarHBondContact O-N 2.89Å; D692-R695 VanDerWaalsContact O-N 3.11Å; D692-R695 IonicContact OD1-CZ 3.88Å; D692-R695 IonicContact OD1-NH1 3.6Å; D692-R695 PolarHBondContact OD1-NH1 2.81Å; D692-R695 IonicContact OD1-NH2 2.61Å; D692-R695 PolarHBondContact OD1-NH2 2.93Å; L693-R695 VanDerWaalsContact C-N 3.3Å; L693-R695 PolarHBondContact O-N 2.84Å; R695-A698 PolarHBondContact O-N 2.78Å; R695-Q699 WeakPolarHBondContact O-CG 3.33Å; R695-Q699 PolarHBondContact O-N 3.38Å |
| 696 | E | 80.7 | Confident | 77.7 | Confident | 125 Ų | 125 | 88.1 Ų | 88.1 | 58% | 0.584 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.6 | -47.2 | 175.1 | -71.8 | -177.9 | 175.7 | 0 | 0 | 111.2 | D692 L693 A698 Q699 T700 | D692-E696 WeakPolarHBondContact O-CG 3.39Å; D692-E696 PolarHBondContact O-N 3.04Å; L693-E696 PolarHBondContact O-N 2.83Å; E696-A698 VanDerWaalsContact C-N 3.28Å; E696-A698 PolarHBondContact O-N 2.84Å; E696-Q699 WeakPolarHBondContact O-CB 3.49Å; E696-Q699 PolarHBondContact O-N 2.87Å; E696-T700 WeakPolarHBondContact O-CG2 3.43Å; E696-T700 PolarHBondContact O-N 3.32Å |
| 697 | L | 79 | Confident | 76.5 | Confident | 82 Ų | 82 | 89.8 Ų | 89.8 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.1 | -34.4 | 176.4 | -72.1 | 176.2 | 0 | 0 | 0 | 113.2 | L693 E694 T700 K701 | L693-L697 HydrophobicContact CD2-CD1 3.67Å; L693-L697 HydrophobicContact CD2-CG 4.34Å; L693-L697 HydrophobicContact CG-CD1 4.5Å; L693-L697 WeakPolarHBondContact O-CG 3.46Å; L693-L697 PolarHBondContact O-N 2.89Å; E694-L697 PolarHBondContact O-N 3.04Å; L697-T700 WeakPolarHBondContact CA-OG1 3.39Å; L697-T700 PolarHBondContact O-OG1 2.91Å; L697-K701 WeakPolarHBondContact O-CG 3.34Å; L697-K701 PolarHBondContact O-N 3.5Å |
| 698 | A | 80.1 | Confident | 75.5 | Confident | 62 Ų | 62 | 89.7 Ų | 89.7 | 51% | 0.512 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E694 R695 E696 A702 | E694-A698 WeakPolarHBondContact O-CB 3.31Å; E694-A698 PolarHBondContact O-N 2.72Å; R695-A698 PolarHBondContact O-N 2.78Å; E696-A698 VanDerWaalsContact C-N 3.28Å; E696-A698 PolarHBondContact O-N 2.84Å; A698-A702 PolarHBondContact O-N 2.91Å; A698-A702 VanDerWaalsContact O-N 3.17Å |
| 699 | Q | 78.8 | Confident | 74.3 | Confident | 125 Ų | 125 | 89.1 Ų | 89.1 | 58% | 0.584 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 176 | -71.4 | 176 | 29.4 | 0 | 0 | 111.9 | R695 E696 K701 A702 I703 | R695-Q699 WeakPolarHBondContact O-CG 3.33Å; R695-Q699 PolarHBondContact O-N 3.38Å; E696-Q699 WeakPolarHBondContact O-CB 3.49Å; E696-Q699 PolarHBondContact O-N 2.87Å; Q699-K701 PolarHBondContact O-N 2.78Å; Q699-A702 WeakPolarHBondContact O-CB 3.18Å; Q699-A702 PolarHBondContact O-N 2.81Å; Q699-A702 VanDerWaalsContact O-N 3.15Å; Q699-I703 WeakPolarHBondContact O-CG1 3.44Å; Q699-I703 PolarHBondContact O-N 3.47Å |
| 700 | T | 71.8 | Confident | 73.2 | Confident | 36 Ų | 36 | 84.1 Ų | 84.1 | 22% | 0.221 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 177.9 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | E696 L697 A702 I703 E704 P726 | E696-T700 WeakPolarHBondContact O-CG2 3.43Å; E696-T700 PolarHBondContact O-N 3.32Å; L697-T700 WeakPolarHBondContact CA-OG1 3.39Å; L697-T700 PolarHBondContact O-OG1 2.91Å; T700-A702 VanDerWaalsContact C-N 3.27Å; T700-A702 PolarHBondContact O-N 3.36Å; T700-I703 PolarHBondContact O-N 2.92Å; T700-E704 WeakPolarHBondContact O-CG 3.46Å; T700-E704 PolarHBondContact O-N 2.94Å; T700-P726 HydrophobicContact CG2-CB 4.01Å; T700-P726 HydrophobicContact CG2-CG 4.41Å |
| 701 | K | 72.3 | Confident | 71.7 | Confident | 143 Ų | 143 | 85.9 Ų | 85.9 | 62% | 0.622 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -57.6 | -39.7 | 174.2 | -75.1 | 177.4 | -179.1 | 176.3 | 0 | 112.4 | L697 Q699 I703 E704 | L697-K701 WeakPolarHBondContact O-CG 3.34Å; L697-K701 PolarHBondContact O-N 3.5Å; Q699-K701 PolarHBondContact O-N 2.78Å; K701-I703 VanDerWaalsContact C-N 3.33Å; K701-I703 PolarHBondContact O-N 3.35Å; K701-E704 PolarHBondContact O-N 3.03Å |
| 702 | A | 76.1 | Confident | 70.3 | Confident | 61 Ų | 61 | 85 Ų | 85 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.2 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | A698 Q699 T700 | A698-A702 PolarHBondContact O-N 2.91Å; A698-A702 VanDerWaalsContact O-N 3.17Å; Q699-A702 WeakPolarHBondContact O-CB 3.18Å; Q699-A702 PolarHBondContact O-N 2.81Å; Q699-A702 VanDerWaalsContact O-N 3.15Å; T700-A702 VanDerWaalsContact C-N 3.27Å; T700-A702 PolarHBondContact O-N 3.36Å |
| 703 | I | 70.9 | Confident | 69.1 | Low | 64 Ų | 64 | 86 Ų | 86 | 33% | 0.328 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73 | -36.3 | 177.7 | -64.9 | 162.6 | 0 | 0 | 0 | 111.2 | Q699 T700 K701 D705 L706 I729 | Q699-I703 WeakPolarHBondContact O-CG1 3.44Å; Q699-I703 PolarHBondContact O-N 3.47Å; T700-I703 PolarHBondContact O-N 2.92Å; K701-I703 VanDerWaalsContact C-N 3.33Å; K701-I703 PolarHBondContact O-N 3.35Å; I703-D705 PolarHBondContact O-N 3.1Å; I703-L706 PolarHBondContact O-N 2.64Å; I703-I729 HydrophobicContact CG2-CD1 3.89Å |
| 704 | E | 65.6 | Low | 67.5 | Low | 54 Ų | 54 | 89.3 Ų | 89.3 | 25% | 0.252 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -27.1 | 179.6 | -78.1 | -169.3 | 178.5 | 0 | 0 | 114.2 | T700 K701 K723 | T700-E704 WeakPolarHBondContact O-CG 3.46Å; T700-E704 PolarHBondContact O-N 2.94Å; K701-E704 PolarHBondContact O-N 3.03Å; E704-K723 IonicContact OE2-NZ 2.64Å; E704-K723 PolarHBondContact OE2-NZ 3.21Å |
| 705 | D | 63.6 | Low | 66.2 | Low | 130 Ų | 130 | 95 Ų | 95 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -15.4 | -179.7 | -75.9 | -23.5 | 0 | 0 | 0 | 113.4 | I703 D707 | I703-D705 PolarHBondContact O-N 3.1Å; D705-D707 PolarHBondContact O-N 2.84Å |
| 706 | L | 65.8 | Low | 64.8 | Low | 108 Ų | 108 | 90.5 Ų | 90.5 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -74.2 | 126.7 | 179.5 | -71 | 165.7 | 0 | 0 | 0 | 111 | I703 | I703-L706 PolarHBondContact O-N 2.64Š|
| 707 | D | 59.5 | Low | 63.6 | Low | 102 Ų | 102 | 88.6 Ų | 88.6 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | trans | -69.3 | 130 | 174.5 | -91.4 | -44.9 | 0 | 0 | 0 | 112.2 | K103 D705 V709 | K103-D707 WeakPolarHBondContact CE-OD1 3.33Å; K103-D707 VanDerWaalsContact NZ-CG 3.35Å; K103-D707 IonicContact NZ-OD1 2.76Å; K103-D707 PolarHBondContact NZ-OD1 2.98Å; K103-D707 IonicContact NZ-OD2 3.22Å; D705-D707 PolarHBondContact O-N 2.84Å; D707-V709 PolarHBondContact O-N 3.27Å; D707-V709 VanDerWaalsContact O-N 3.11Å | ||
| 708 | D | 61.2 | Low | 62.4 | Low | 38 Ų | 38 | 86 Ų | 86 | 20% | 0.203 | 49% | 0.488 | C | S | . | . | trans | -74.7 | 101.4 | 174.2 | -71.1 | 23.9 | 0 | 0 | 0 | 109.6 | V710 R724 K786 | D708-V710 PolarHBondContact O-N 3.49Å; D708-R724 WeakPolarHBondContact OD1-CD 3.22Å; D708-R724 WeakPolarHBondContact OD1-CG 3.31Å; D708-R724 IonicContact OD1-CZ 3.79Å; D708-R724 IonicContact OD1-NE 3.53Å; D708-R724 PolarHBondContact OD1-NE 3.49Å; D708-R724 IonicContact OD1-NH1 2.77Å; D708-R724 IonicContact OD1-NH2 2.89Å; D708-R724 VanDerWaalsContact OD2-CG 3.32Å; D708-R724 WeakPolarHBondContact OD2-CG 3.48Å; D708-R724 IonicContact OD2-CZ 3.65Å; D708-R724 IonicContact OD2-NE 3.12Å; D708-R724 PolarHBondContact OD2-NE 2.63Å; D708-K786 IonicContact OD1-NZ 3.45Å; D708-K786 WeakPolarHBondContact OD2-CE 3.47Å; D708-K786 IonicContact OD2-NZ 3.99Å; D708-K786 PolarHBondContact OD2-NZ 2.5Å | ||
| 709 | V | 59 | Low | 61.4 | Low | 130 Ų | 130 | 83.5 Ų | 83.5 | 79% | 0.788 | 47% | 0.467 | S | S | * | . | trans | -77.8 | 99.6 | 165.8 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | D707 P711 | D707-V709 PolarHBondContact O-N 3.27Å; D707-V709 VanDerWaalsContact O-N 3.11Å; V709-P711 WeakPolarHBondContact O-CD 3.48Å | ||
| 710 | V | 59.8 | Low | 60.7 | Low | 20 Ų | 20 | 79.2 Ų | 79.2 | 12% | 0.121 | 45% | 0.448 | C | S | . | . | trans | -76 | 122.1 | 173.1 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | D708 G712 E713 | D708-V710 PolarHBondContact O-N 3.49Å; V710-G712 PolarHBondContact O-N 2.8Å; V710-E713 HydrophobicContact CB-CB 4.25Å; V710-E713 PolarHBondContact O-N 2.84Å | ||
| 711 | P | 48.7 | Very low | 60.1 | Low | 78 Ų | 78 | 77.7 Ų | 77.7 | 51% | 0.506 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 123.1 | -179.9 | -22.2 | 32.9 | 0 | 0 | 0 | 111.8 | V709 | V709-P711 WeakPolarHBondContact O-CD 3.48Š|
| 712 | G | 52.6 | Low | 59.7 | Low | 71 Ų | 71 | 71.6 Ų | 71.6 | 73% | 0.732 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | -6.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | V710 I714 | V710-G712 PolarHBondContact O-N 2.8Å; G712-I714 PolarHBondContact O-N 2.81Å |
| 713 | E | 57.5 | Low | 59.3 | Low | 88 Ų | 88 | 70.2 Ų | 70.2 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | trans | -81.9 | 110.1 | 175.4 | -152 | 171.3 | -154.1 | 0 | 0 | 109.5 | V710 | V710-E713 HydrophobicContact CB-CB 4.25Å; V710-E713 PolarHBondContact O-N 2.84Å | ||
| 714 | I | 50.6 | Low | 59.4 | Low | 158 Ų | 158 | 69.9 Ų | 69.9 | 81% | 0.81 | 39% | 0.393 | S | S | * | . | trans | -64.6 | 133.6 | 165.4 | -57.6 | 168.3 | 0 | 0 | 0 | 105.5 | G712 G716 | G712-I714 PolarHBondContact O-N 2.81Å; I714-G716 PolarHBondContact O-N 2.91Å | ||
| 715 | Q | 53.4 | Low | 59.7 | Low | 188 Ų | 188 | 68.3 Ų | 68.3 | 88% | 0.879 | 39% | 0.387 | S | S | * | . | trans | -60.7 | 74.6 | 178.4 | -67 | -178.7 | -7.1 | 0 | 0 | 111.3 | ||||
| 716 | G | 53.4 | Low | 60.4 | Low | 38 Ų | 38 | 65 Ų | 65 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | trans | -81.3 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I714 V718 | I714-G716 PolarHBondContact O-N 2.91Å; G716-V718 PolarHBondContact O-N 3.23Å; G716-V718 VanDerWaalsContact O-N 3.1Å | ||
| 717 | E | 56.7 | Low | 61.2 | Low | 84 Ų | 84 | 65.7 Ų | 65.7 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -62.4 | -12.7 | 172.7 | -65.5 | -166.2 | 154.9 | 0 | 0 | 112.6 | F141 R142 C179 | F141-E717 CarbonylContact C-O 3.47Å; F141-E717 WeakPolarHBondContact CA-O 3.37Å; R142-E717 PolarHBondContact N-O 3.21Å; C179-E717 PolarHBondContact N-OE2 2.93Å; C179-E717 VanDerWaalsContact N-OE2 3.15Å |
| 718 | V | 53.7 | Low | 62.3 | Low | 29 Ų | 29 | 60.8 Ų | 60.8 | 18% | 0.176 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 135.6 | 179.2 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | F139 R140 F141 Q177 G716 | F139-V718 HydrophobicContact CB-CG1 3.69Å; F139-V718 HydrophobicContact CD1-CG1 3.87Å; F139-V718 HydrophobicContact CG-CG1 4.13Å; R140-V718 VanDerWaalsContact O-CA 3.24Å; R140-V718 WeakPolarHBondContact O-CA 3.4Å; F141-V718 HydrophobicContact CD1-CG2 3.75Å; F141-V718 HydrophobicContact CE1-CG2 3.99Å; Q177-V718 HydrophobicContact CB-CG2 4.04Å; Q177-V718 WeakPolarHBondContact O-CG2 3.45Å; G716-V718 PolarHBondContact O-N 3.23Å; G716-V718 VanDerWaalsContact O-N 3.1Å |
| 719 | G | 59.5 | Low | 63.4 | Low | 8 Ų | 8 | 61.4 Ų | 61.4 | 8% | 0.082 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 179.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | R140 | R140-G719 WeakPolarHBondContact CB-O 3.26Å; R140-G719 PolarHBondContact N-O 3.33Å; R140-G719 PolarHBondContact O-N 2.91Å |
| 720 | L | 63.9 | Low | 64.7 | Low | 36 Ų | 36 | 63.5 Ų | 63.5 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | trans | -70.4 | 143.2 | 174.8 | -83.6 | 128.8 | 0 | 0 | 0 | 112.8 | I789 F822 | L720-I789 HydrophobicContact CD1-CD1 4.2Å; L720-I789 HydrophobicContact CD2-CD1 4.42Å; L720-F822 HydrophobicContact CD2-CE2 3.98Å; L720-F822 HydrophobicContact CD2-CZ 4.23Å | ||
| 721 | A | 58.7 | Low | 66.1 | Low | 3 Ų | 3 | 63.7 Ų | 63.7 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | trans | -85.3 | -37.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G101 I128 W130 | G101-A721 CarbonylContact C-O 3.53Å; G101-A721 WeakPolarHBondContact CA-O 3.35Å; I128-A721 HydrophobicContact CD1-CB 4.43Å; I128-A721 HydrophobicContact CG2-CB 3.51Å; W130-A721 HydrophobicContact CH2-CB 3.99Å; W130-A721 HydrophobicContact CZ3-CB 4.12Å | ||
| 722 | A | 62.8 | Low | 68.1 | Low | 15 Ų | 15 | 60.1 Ų | 60.1 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | trans | -69.5 | 154.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S100 K786 | S100-A722 CarbonylContact O-C 3.54Å; S100-A722 VanDerWaalsContact O-CA 3.24Å; S100-A722 WeakPolarHBondContact O-CA 3.25Å; A722-K786 VanDerWaalsContact C-CE 3.49Å; A722-K786 HydrophobicContact CB-CB 4.32Å; A722-K786 HydrophobicContact CB-CD 3.64Å; A722-K786 HydrophobicContact CB-CG 3.86Å; A722-K786 WeakPolarHBondContact O-CE 3.25Å; A722-K786 PolarHBondContact O-NZ 3.07Å | ||
| 723 | K | 69 | Low | 70 | Confident | 32 Ų | 32 | 61 Ų | 61 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | trans | -90.8 | 156.8 | 170.8 | -168.7 | -177.8 | -179.8 | -172.6 | 0 | 109.6 | S100 E704 T725 I728 K786 | S100-K723 PolarHBondContact O-N 2.93Å; E704-K723 IonicContact OE2-NZ 2.64Å; E704-K723 PolarHBondContact OE2-NZ 3.21Å; K723-T725 PolarHBondContact O-N 2.79Å; K723-I728 WeakPolarHBondContact O-CD1 3.48Å; K723-K786 WeakPolarHBondContact O-CD 2.9Å | ||
| 724 | R | 71.6 | Confident | 71.6 | Confident | 58 Ų | 58 | 60 Ų | 60 | 22% | 0.219 | 31% | 0.305 | C | S | . | . | trans | -75.7 | 114.7 | 166.1 | -77.4 | -176.4 | 172.7 | 159.5 | 3.5 | 107.8 | D708 M790 | D708-R724 WeakPolarHBondContact OD1-CD 3.22Å; D708-R724 WeakPolarHBondContact OD1-CG 3.31Å; D708-R724 IonicContact OD1-CZ 3.79Å; D708-R724 IonicContact OD1-NE 3.53Å; D708-R724 PolarHBondContact OD1-NE 3.49Å; D708-R724 IonicContact OD1-NH1 2.77Å; D708-R724 IonicContact OD1-NH2 2.89Å; D708-R724 VanDerWaalsContact OD2-CG 3.32Å; D708-R724 WeakPolarHBondContact OD2-CG 3.48Å; D708-R724 IonicContact OD2-CZ 3.65Å; D708-R724 IonicContact OD2-NE 3.12Å; D708-R724 PolarHBondContact OD2-NE 2.63Å; R724-M790 HydrophobicContact CB-CE 4.48Å; R724-M790 HydrophobicContact CG-CE 3.64Å; R724-M790 VanDerWaalsContact NE-CE 3.29Å | ||
| 725 | T | 73.1 | Confident | 73.6 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | trans | -110.5 | 156 | 172 | 59.4 | 0 | 0 | 0 | 0 | 108.9 | K723 E727 I728 I729 | K723-T725 PolarHBondContact O-N 2.79Å; T725-E727 PolarHBondContact O-N 3.23Å; T725-I728 HydrophobicContact CG2-CD1 4.48Å; T725-I728 WeakPolarHBondContact O-CB 3.47Å; T725-I728 PolarHBondContact O-N 3.06Å; T725-I728 VanDerWaalsContact OG1-CD1 3.29Å; T725-I728 WeakPolarHBondContact OG1-CD1 3.5Å; T725-I728 VanDerWaalsContact OG1-CG1 3.25Å; T725-I728 WeakPolarHBondContact OG1-CG1 3.37Å; T725-I728 PolarHBondContact OG1-N 3.05Å; T725-I729 PolarHBondContact O-N 3.08Å | ||
| 726 | P | 78.1 | Confident | 75.5 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.8 | -33.7 | 176.1 | 22.9 | -33.6 | 0 | 0 | 0 | 112.1 | T700 I728 I729 R730 | T700-P726 HydrophobicContact CG2-CB 4.01Å; T700-P726 HydrophobicContact CG2-CG 4.41Å; P726-I728 VanDerWaalsContact C-N 3.33Å; P726-I728 PolarHBondContact O-N 3.42Å; P726-I729 PolarHBondContact O-N 3.3Å; P726-R730 PolarHBondContact O-N 3.06Å |
| 727 | E | 81.6 | Confident | 77.4 | Confident | 122 Ų | 122 | 48.2 Ų | 48.2 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -61.3 | -39.9 | 173.4 | -63.8 | -179.2 | 175.8 | 0 | 0 | 112.4 | T725 I729 R730 N731 | T725-E727 PolarHBondContact O-N 3.23Å; E727-I729 VanDerWaalsContact C-N 3.31Å; E727-I729 PolarHBondContact O-N 2.93Å; E727-R730 PolarHBondContact O-N 3.16Å; E727-N731 VanDerWaalsContact O-CB 3.26Å; E727-N731 WeakPolarHBondContact O-CB 3.49Å; E727-N731 PolarHBondContact O-N 3.04Å; E727-N731 PolarHBondContact O-ND2 3.37Å |
| 728 | I | 82.8 | Confident | 79 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 175.8 | -73.5 | 164.4 | 0 | 0 | 0 | 111.1 | K723 T725 P726 A732 N783 K786 M790 | K723-I728 WeakPolarHBondContact O-CD1 3.48Å; T725-I728 HydrophobicContact CG2-CD1 4.48Å; T725-I728 WeakPolarHBondContact O-CB 3.47Å; T725-I728 PolarHBondContact O-N 3.06Å; T725-I728 VanDerWaalsContact OG1-CD1 3.29Å; T725-I728 WeakPolarHBondContact OG1-CD1 3.5Å; T725-I728 VanDerWaalsContact OG1-CG1 3.25Å; T725-I728 WeakPolarHBondContact OG1-CG1 3.37Å; T725-I728 PolarHBondContact OG1-N 3.05Å; P726-I728 VanDerWaalsContact C-N 3.33Å; P726-I728 PolarHBondContact O-N 3.42Å; I728-A732 WeakPolarHBondContact O-CB 3.27Å; I728-A732 PolarHBondContact O-N 3.3Å; I728-N783 HydrophobicContact CD1-CB 4.4Å; I728-N783 HydrophobicContact CG1-CB 3.67Å; I728-K786 HydrophobicContact CD1-CB 4.14Å; I728-K786 HydrophobicContact CD1-CD 4.3Å; I728-K786 HydrophobicContact CG2-CB 3.95Å; I728-M790 HydrophobicContact CG2-CE 4.4Å |
| 729 | I | 84.2 | Confident | 80.8 | Confident | 50 Ų | 50 | 43 Ų | 43 | 26% | 0.256 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.1 | -48.7 | 178.1 | -61.6 | 169.7 | 0 | 0 | 0 | 109.5 | I703 T725 P726 E727 N731 A732 D733 M790 | I703-I729 HydrophobicContact CG2-CD1 3.89Å; T725-I729 PolarHBondContact O-N 3.08Å; P726-I729 PolarHBondContact O-N 3.3Å; E727-I729 VanDerWaalsContact C-N 3.31Å; E727-I729 PolarHBondContact O-N 2.93Å; I729-N731 VanDerWaalsContact C-N 3.33Å; I729-N731 PolarHBondContact O-N 3.15Å; I729-A732 WeakPolarHBondContact O-CB 3.36Å; I729-A732 PolarHBondContact O-N 3.19Å; I729-A732 VanDerWaalsContact O-N 3.08Å; I729-D733 PolarHBondContact O-N 3.49Å; I729-M790 HydrophobicContact CG1-CE 3.94Å |
| 730 | R | 88.1 | Confident | 82.4 | Confident | 175 Ų | 175 | 45.5 Ų | 45.5 | 66% | 0.66 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -58.3 | -45 | 176 | -175.8 | 179.6 | 172.8 | -178.8 | 0.2 | 112 | P726 E727 A732 D733 D734 | P726-R730 PolarHBondContact O-N 3.06Å; E727-R730 PolarHBondContact O-N 3.16Å; R730-A732 VanDerWaalsContact C-N 3.29Å; R730-A732 PolarHBondContact O-N 3.45Å; R730-D733 PolarHBondContact O-N 3.18Å; R730-D734 WeakPolarHBondContact O-CB 3.46Å; R730-D734 PolarHBondContact O-N 2.83Å |
| 731 | N | 89.1 | Confident | 83.6 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 176.4 | -69.7 | -27.3 | 0 | 0 | 0 | 111.8 | E727 I729 I735 V779 | E727-N731 VanDerWaalsContact O-CB 3.26Å; E727-N731 WeakPolarHBondContact O-CB 3.49Å; E727-N731 PolarHBondContact O-N 3.04Å; E727-N731 PolarHBondContact O-ND2 3.37Å; I729-N731 VanDerWaalsContact C-N 3.33Å; I729-N731 PolarHBondContact O-N 3.15Å; N731-I735 WeakPolarHBondContact O-CD1 3.45Å; N731-I735 VanDerWaalsContact O-CG1 3.22Å; N731-I735 WeakPolarHBondContact O-CG1 3.35Å; N731-I735 PolarHBondContact O-N 2.78Å; N731-I735 VanDerWaalsContact O-N 3.11Å; N731-V779 HydrophobicContact CB-CG1 3.98Å; N731-V779 HydrophobicContact CB-CG2 3.94Å |
| 732 | A | 90.7 | Very high | 84.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I728 I729 R730 I735 I736 M790 | I728-A732 WeakPolarHBondContact O-CB 3.27Å; I728-A732 PolarHBondContact O-N 3.3Å; I729-A732 WeakPolarHBondContact O-CB 3.36Å; I729-A732 PolarHBondContact O-N 3.19Å; I729-A732 VanDerWaalsContact O-N 3.08Å; R730-A732 VanDerWaalsContact C-N 3.29Å; R730-A732 PolarHBondContact O-N 3.45Å; A732-I735 PolarHBondContact O-N 2.89Å; A732-I736 VanDerWaalsContact O-CG1 3.28Å; A732-I736 WeakPolarHBondContact O-CG1 3.43Å; A732-I736 PolarHBondContact O-N 2.79Å; A732-M790 HydrophobicContact CB-CB 3.89Å; A732-M790 HydrophobicContact CB-CG 4.44Å |
| 733 | D | 91.5 | Very high | 86.1 | Confident | 91 Ų | 91 | 45.8 Ų | 45.8 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63 | -42.4 | 176.3 | -69.2 | -23 | 0 | 0 | 0 | 111.4 | I729 R730 I735 I736 E737 | I729-D733 PolarHBondContact O-N 3.49Å; R730-D733 PolarHBondContact O-N 3.18Å; D733-I735 VanDerWaalsContact C-N 3.3Å; D733-I735 PolarHBondContact O-N 2.97Å; D733-I736 PolarHBondContact O-N 2.98Å; D733-I736 VanDerWaalsContact O-N 3.13Å; D733-E737 WeakPolarHBondContact O-CB 3.29Å; D733-E737 PolarHBondContact O-N 2.76Å |
| 734 | D | 91.5 | Very high | 87 | Confident | 65 Ų | 65 | 49 Ų | 49 | 35% | 0.348 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 174.9 | -70.7 | -14.1 | 0 | 0 | 0 | 111.4 | R730 A738 | R730-D734 WeakPolarHBondContact O-CB 3.46Å; R730-D734 PolarHBondContact O-N 2.83Å; D734-A738 VanDerWaalsContact O-CB 3.32Å; D734-A738 WeakPolarHBondContact O-CB 3.43Å; D734-A738 PolarHBondContact O-N 2.81Å |
| 735 | I | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -42.7 | 174.9 | -66.1 | 161.8 | 0 | 0 | 0 | 110.7 | N731 A732 D733 A738 V739 V775 L776 V779 L791 L799 | N731-I735 WeakPolarHBondContact O-CD1 3.45Å; N731-I735 VanDerWaalsContact O-CG1 3.22Å; N731-I735 WeakPolarHBondContact O-CG1 3.35Å; N731-I735 PolarHBondContact O-N 2.78Å; N731-I735 VanDerWaalsContact O-N 3.11Å; A732-I735 PolarHBondContact O-N 2.89Å; D733-I735 VanDerWaalsContact C-N 3.3Å; D733-I735 PolarHBondContact O-N 2.97Å; I735-A738 PolarHBondContact O-N 2.8Å; I735-V739 WeakPolarHBondContact O-CG2 3.47Å; I735-V739 PolarHBondContact O-N 2.85Å; I735-V775 HydrophobicContact CG1-CG1 4.43Å; I735-L776 HydrophobicContact CD1-CD2 3.72Å; I735-L776 HydrophobicContact CG1-CD2 3.97Å; I735-L776 HydrophobicContact CG2-CD2 4.49Å; I735-V779 HydrophobicContact CD1-CG2 4.23Å; I735-L791 HydrophobicContact CB-CD2 4.35Å; I735-L791 HydrophobicContact CG2-CD1 4.19Å; I735-L791 HydrophobicContact CG2-CD2 3.91Å; I735-L799 HydrophobicContact CG2-CD1 4.36Å |
| 736 | I | 93.1 | Very high | 88.1 | Confident | 35 Ų | 35 | 49 Ų | 49 | 18% | 0.179 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 178.4 | -68.5 | 165.8 | 0 | 0 | 0 | 110.1 | A732 D733 A738 V739 D740 L791 | A732-I736 VanDerWaalsContact O-CG1 3.28Å; A732-I736 WeakPolarHBondContact O-CG1 3.43Å; A732-I736 PolarHBondContact O-N 2.79Å; D733-I736 PolarHBondContact O-N 2.98Å; D733-I736 VanDerWaalsContact O-N 3.13Å; I736-A738 VanDerWaalsContact C-N 3.3Å; I736-A738 PolarHBondContact O-N 3.21Å; I736-V739 PolarHBondContact O-N 2.73Å; I736-D740 PolarHBondContact O-N 3.01Å; I736-L791 HydrophobicContact CD1-CD2 4.18Å; I736-L791 HydrophobicContact CG1-CD2 3.49Å; I736-L791 VanDerWaalsContact CG1-CD2 3.49Å |
| 737 | E | 92.5 | Very high | 88.4 | Confident | 102 Ų | 102 | 52 Ų | 52 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.4 | -44.9 | 177.4 | -171 | -175.1 | 173.3 | 0 | 0 | 110.7 | D733 V739 D740 I741 | D733-E737 WeakPolarHBondContact O-CB 3.29Å; D733-E737 PolarHBondContact O-N 2.76Å; E737-V739 VanDerWaalsContact C-N 3.29Å; E737-V739 PolarHBondContact O-N 2.88Å; E737-D740 PolarHBondContact O-N 2.91Å; E737-I741 HydrophobicContact CG-CD1 4.01Å; E737-I741 VanDerWaalsContact O-CG1 3.29Å; E737-I741 WeakPolarHBondContact O-CG1 3.1Å; E737-I741 PolarHBondContact O-N 3.1Å |
| 738 | A | 91.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D734 I735 I736 C742 F771 M772 V775 | D734-A738 VanDerWaalsContact O-CB 3.32Å; D734-A738 WeakPolarHBondContact O-CB 3.43Å; D734-A738 PolarHBondContact O-N 2.81Å; I735-A738 PolarHBondContact O-N 2.8Å; I736-A738 VanDerWaalsContact C-N 3.3Å; I736-A738 PolarHBondContact O-N 3.21Å; A738-C742 WeakPolarHBondContact O-CB 3.23Å; A738-C742 PolarHBondContact O-N 2.84Å; A738-C742 PolarHBondContact O-SG 3.16Å; A738-F771 HydrophobicContact CB-CE1 3.98Å; A738-M772 HydrophobicContact CB-CE 3.6Å; A738-M772 HydrophobicContact CB-SD 4.26Å; A738-M772 WeakPolarHBondContact O-CE 3.44Å; A738-V775 HydrophobicContact CB-CB 4.35Å; A738-V775 HydrophobicContact CB-CG1 4.14Å; A738-V775 HydrophobicContact CB-CG2 4.04Å |
| 739 | V | 91.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 180 | 170.5 | 0 | 0 | 0 | 0 | 110.2 | I735 I736 E737 C742 K743 M772 H795 D798 L799 | I735-V739 WeakPolarHBondContact O-CG2 3.47Å; I735-V739 PolarHBondContact O-N 2.85Å; I736-V739 PolarHBondContact O-N 2.73Å; E737-V739 VanDerWaalsContact C-N 3.29Å; E737-V739 PolarHBondContact O-N 2.88Å; V739-C742 WeakPolarHBondContact O-CB 3.44Å; V739-C742 PolarHBondContact O-N 2.95Å; V739-K743 PolarHBondContact O-N 3.37Å; V739-M772 HydrophobicContact CB-CE 4.14Å; V739-M772 HydrophobicContact CG2-CE 3.48Å; V739-M772 VanDerWaalsContact CG2-CE 3.48Å; V739-M772 HydrophobicContact CG2-SD 4.06Å; V739-M772 VanDerWaalsContact N-CE 3.34Å; V739-H795 HydrophobicContact CG1-CB 4.38Å; V739-D798 HydrophobicContact CG1-CB 4.01Å; V739-L799 HydrophobicContact CG2-CD1 3.57Å |
| 740 | D | 91.7 | Very high | 88.3 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 32% | 0.316 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 177.6 | -78.6 | -19.2 | 0 | 0 | 0 | 112.3 | I736 E737 C742 K743 Q744 H795 | I736-D740 PolarHBondContact O-N 3.01Å; E737-D740 PolarHBondContact O-N 2.91Å; D740-C742 VanDerWaalsContact C-N 3.28Å; D740-C742 PolarHBondContact O-N 2.76Å; D740-K743 WeakPolarHBondContact O-CB 3.24Å; D740-K743 PolarHBondContact O-N 3.02Å; D740-Q744 VanDerWaalsContact O-CG 3.29Å; D740-Q744 WeakPolarHBondContact O-CG 3.47Å; D740-Q744 PolarHBondContact O-N 3.26Å; D740-H795 IonicContact OD1-CD2 2.76Å; D740-H795 IonicContact OD1-NE2 3.39Å; D740-H795 PolarHBondContact OD1-NE2 3.22Å; D740-H795 IonicContact OD2-NE2 3.67Å |
| 741 | I | 89.4 | Confident | 87.9 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 170.8 | -67 | 162.8 | 0 | 0 | 0 | 109.9 | E737 K743 Q744 E745 H757 L759 L760 | E737-I741 HydrophobicContact CG-CD1 4.01Å; E737-I741 VanDerWaalsContact O-CG1 3.29Å; E737-I741 WeakPolarHBondContact O-CG1 3.1Å; E737-I741 PolarHBondContact O-N 3.1Å; I741-K743 VanDerWaalsContact C-N 3.33Å; I741-K743 PolarHBondContact O-N 3.43Å; I741-Q744 PolarHBondContact O-N 2.91Å; I741-E745 HydrophobicContact CG2-CG 4.45Å; I741-E745 WeakPolarHBondContact O-CB 3.31Å; I741-E745 WeakPolarHBondContact O-CG 3.45Å; I741-E745 PolarHBondContact O-N 3.13Å; I741-H757 HydrophobicContact CG2-CB 3.95Å; I741-L759 HydrophobicContact CD1-CD1 3.45Å; I741-L759 VanDerWaalsContact CD1-CD1 3.45Å; I741-L760 HydrophobicContact CG2-CD1 4.25Å |
| 742 | C | 87.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 177.8 | -71.6 | 0 | 0 | 0 | 0 | 112.5 | A738 V739 D740 L746 L768 L802 | A738-C742 WeakPolarHBondContact O-CB 3.23Å; A738-C742 PolarHBondContact O-N 2.84Å; A738-C742 PolarHBondContact O-SG 3.16Å; V739-C742 WeakPolarHBondContact O-CB 3.44Å; V739-C742 PolarHBondContact O-N 2.95Å; D740-C742 VanDerWaalsContact C-N 3.28Å; D740-C742 PolarHBondContact O-N 2.76Å; C742-L746 WeakPolarHBondContact O-CB 3.42Å; C742-L746 WeakPolarHBondContact O-CG 3.2Å; C742-L746 PolarHBondContact O-N 3.5Å; C742-L768 VanDerWaalsContact CA-CD2 3.47Å; C742-L768 HydrophobicContact CB-CD2 3.76Å; C742-L768 HydrophobicContact CB-CG 4.5Å; C742-L768 WeakPolarHBondContact O-CD2 3.39Å; C742-L802 HydrophobicContact CB-CD1 3.81Å; C742-L802 HydrophobicContact CB-CD2 4.38Å |
| 743 | K | 87.7 | Confident | 86.3 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 23% | 0.226 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -48.4 | 174.4 | -84.9 | 176.7 | 176.4 | 164.2 | 0 | 112.1 | V739 D740 I741 E745 L746 M747 D798 | V739-K743 PolarHBondContact O-N 3.37Å; D740-K743 WeakPolarHBondContact O-CB 3.24Å; D740-K743 PolarHBondContact O-N 3.02Å; I741-K743 VanDerWaalsContact C-N 3.33Å; I741-K743 PolarHBondContact O-N 3.43Å; K743-E745 VanDerWaalsContact C-N 3.31Å; K743-E745 PolarHBondContact O-N 3.36Å; K743-L746 PolarHBondContact O-N 3.4Å; K743-M747 WeakPolarHBondContact O-CG 3.27Å; K743-M747 PolarHBondContact O-N 2.88Å; K743-D798 WeakPolarHBondContact CE-OD2 3.4Å; K743-D798 IonicContact NZ-OD2 2.66Å; K743-D798 PolarHBondContact NZ-OD2 3.23Å |
| 744 | Q | 87.7 | Confident | 85.2 | Confident | 99 Ų | 99 | 68 Ų | 68 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | -177.8 | -72.5 | 175.8 | 19 | 0 | 0 | 110.6 | D740 I741 M747 K748 | D740-Q744 VanDerWaalsContact O-CG 3.29Å; D740-Q744 WeakPolarHBondContact O-CG 3.47Å; D740-Q744 PolarHBondContact O-N 3.26Å; I741-Q744 PolarHBondContact O-N 2.91Å; Q744-M747 WeakPolarHBondContact O-CB 3.47Å; Q744-M747 PolarHBondContact O-N 2.77Å; Q744-M747 VanDerWaalsContact O-N 3.13Å; Q744-K748 WeakPolarHBondContact O-CG 3.38Å; Q744-K748 PolarHBondContact O-N 3.45Å |
| 745 | E | 83.8 | Confident | 84.4 | Confident | 17 Ų | 17 | 70.8 Ų | 70.8 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 177.5 | -70.2 | -67.9 | 142 | 0 | 0 | 112.4 | I741 K743 M747 K748 A749 H757 L760 L768 | I741-E745 HydrophobicContact CG2-CG 4.45Å; I741-E745 WeakPolarHBondContact O-CB 3.31Å; I741-E745 WeakPolarHBondContact O-CG 3.45Å; I741-E745 PolarHBondContact O-N 3.13Å; K743-E745 VanDerWaalsContact C-N 3.31Å; K743-E745 PolarHBondContact O-N 3.36Å; E745-M747 VanDerWaalsContact C-N 3.27Å; E745-M747 PolarHBondContact O-N 2.84Å; E745-K748 PolarHBondContact O-N 2.78Å; E745-K748 IonicContact OE1-NZ 3.26Å; E745-K748 PolarHBondContact OE1-NZ 2.87Å; E745-A749 WeakPolarHBondContact O-CB 3.31Å; E745-A749 PolarHBondContact O-N 2.98Å; E745-H757 HydrophobicContact CG-CB 4.36Å; E745-H757 PolarHBondContact OE1-N 2.84Å; E745-L760 HydrophobicContact CG-CD1 3.69Å; E745-L768 HydrophobicContact CB-CD1 3.78Å; E745-L768 HydrophobicContact CB-CD2 4.03Å; E745-L768 HydrophobicContact CB-CG 4.36Å; E745-L768 HydrophobicContact CG-CD1 4.45Å |
| 746 | L | 83.5 | Confident | 83.6 | Confident | 62 Ų | 62 | 74 Ų | 74 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.9 | -33.2 | 171 | -82.3 | 163.6 | 0 | 0 | 0 | 112.6 | C742 K743 R750 L768 L802 | C742-L746 WeakPolarHBondContact O-CB 3.42Å; C742-L746 WeakPolarHBondContact O-CG 3.2Å; C742-L746 PolarHBondContact O-N 3.5Å; K743-L746 PolarHBondContact O-N 3.4Å; L746-R750 WeakPolarHBondContact O-CG 3.24Å; L746-R750 PolarHBondContact O-N 2.9Å; L746-L768 HydrophobicContact CD1-CD2 4.36Å; L746-L768 HydrophobicContact CG-CD2 3.97Å; L746-L802 HydrophobicContact CD1-CD2 4.42Å |
| 747 | M | 85.3 | Confident | 83 | Confident | 125 Ų | 125 | 74.5 Ų | 74.5 | 62% | 0.616 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -74.4 | -45.6 | 174.3 | -69.2 | -164.6 | -166.3 | 0 | 0 | 111.9 | K743 Q744 E745 A749 R750 M751 | K743-M747 WeakPolarHBondContact O-CG 3.27Å; K743-M747 PolarHBondContact O-N 2.88Å; Q744-M747 WeakPolarHBondContact O-CB 3.47Å; Q744-M747 PolarHBondContact O-N 2.77Å; Q744-M747 VanDerWaalsContact O-N 3.13Å; E745-M747 VanDerWaalsContact C-N 3.27Å; E745-M747 PolarHBondContact O-N 2.84Å; M747-A749 VanDerWaalsContact C-N 3.31Å; M747-A749 PolarHBondContact O-N 3.43Å; M747-R750 WeakPolarHBondContact O-CA 3.33Å; M747-R750 WeakPolarHBondContact O-CB 3.33Å; M747-R750 PolarHBondContact O-N 2.91Å; M747-M751 WeakPolarHBondContact O-CG 3.45Å; M747-M751 PolarHBondContact O-N 2.75Å; M747-M751 VanDerWaalsContact O-N 3.09Å |
| 748 | K | 83.9 | Confident | 82.5 | Confident | 53 Ų | 53 | 74.2 Ų | 74.2 | 23% | 0.23 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.2 | -72.5 | 178.6 | -176 | 174.6 | 0 | 112 | Q744 E745 R750 M751 G752 E753 D755 | Q744-K748 WeakPolarHBondContact O-CG 3.38Å; Q744-K748 PolarHBondContact O-N 3.45Å; E745-K748 PolarHBondContact O-N 2.78Å; E745-K748 IonicContact OE1-NZ 3.26Å; E745-K748 PolarHBondContact OE1-NZ 2.87Å; K748-R750 PolarHBondContact O-N 2.95Å; K748-M751 CarbonylContact O-C 3.51Å; K748-M751 WeakPolarHBondContact O-CA 3.18Å; K748-M751 PolarHBondContact O-N 2.98Å; K748-G752 PolarHBondContact O-N 2.82Å; K748-E753 PolarHBondContact O-N 2.9Å; K748-D755 PolarHBondContact NZ-O 2.88Å; K748-D755 VanDerWaalsContact NZ-O 3.15Å |
| 749 | A | 79.7 | Confident | 81.9 | Confident | 74 Ų | 74 | 77 Ų | 77 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.1 | -30 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E745 M747 | E745-A749 WeakPolarHBondContact O-CB 3.31Å; E745-A749 PolarHBondContact O-N 2.98Å; M747-A749 VanDerWaalsContact C-N 3.31Å; M747-A749 PolarHBondContact O-N 3.43Å |
| 750 | R | 81.4 | Confident | 81.2 | Confident | 214 Ų | 214 | 77.6 Ų | 77.6 | 81% | 0.808 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -76 | -30.8 | 172.3 | -70.6 | 174.5 | -179.1 | -179.8 | 2.4 | 112.9 | L746 M747 K748 G752 | L746-R750 WeakPolarHBondContact O-CG 3.24Å; L746-R750 PolarHBondContact O-N 2.9Å; M747-R750 WeakPolarHBondContact O-CA 3.33Å; M747-R750 WeakPolarHBondContact O-CB 3.33Å; M747-R750 PolarHBondContact O-N 2.91Å; K748-R750 PolarHBondContact O-N 2.95Å; R750-G752 VanDerWaalsContact C-N 3.32Å |
| 751 | M | 80.6 | Confident | 80.5 | Confident | 156 Ų | 156 | 82.1 Ų | 82.1 | 77% | 0.768 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -81.9 | -11.3 | 177.9 | -62.4 | -69.4 | -84.6 | 0 | 0 | 112.8 | M747 K748 | M747-M751 WeakPolarHBondContact O-CG 3.45Å; M747-M751 PolarHBondContact O-N 2.75Å; M747-M751 VanDerWaalsContact O-N 3.09Å; K748-M751 CarbonylContact O-C 3.51Å; K748-M751 WeakPolarHBondContact O-CA 3.18Å; K748-M751 PolarHBondContact O-N 2.98Å |
| 752 | G | 75.7 | Confident | 79.9 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 69% | 0.691 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 13.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K748 R750 | K748-G752 PolarHBondContact O-N 2.82Å; R750-G752 VanDerWaalsContact C-N 3.32Å |
| 753 | E | 71.4 | Confident | 79.1 | Confident | 130 Ų | 130 | 88.3 Ų | 88.3 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | trans | -85.5 | 131.5 | 175.3 | -73.9 | 179.2 | 164.6 | 0 | 0 | 110.7 | K748 | K748-E753 PolarHBondContact O-N 2.9Š| ||
| 754 | S | 67.4 | Low | 78.2 | Confident | 104 Ų | 104 | 88.7 Ų | 88.7 | 73% | 0.727 | 50% | 0.497 | S | S | * | . | trans | -97.6 | 5.8 | -173.2 | 64.5 | 0 | 0 | 0 | 0 | 114.8 | V756 | S754-V756 PolarHBondContact O-N 2.85Š| ||
| 755 | D | 75.6 | Confident | 77 | Confident | 124 Ų | 124 | 84.8 Ų | 84.8 | 66% | 0.663 | 48% | 0.481 | S | S | * | . | trans | -80.2 | 91.8 | -175.8 | -76 | -10 | 0 | 0 | 0 | 111 | K748 | K748-D755 PolarHBondContact NZ-O 2.88Å; K748-D755 VanDerWaalsContact NZ-O 3.15Å | ||
| 756 | V | 74.6 | Confident | 76 | Confident | 68 Ų | 68 | 89.8 Ų | 89.8 | 41% | 0.412 | 52% | 0.515 | S | S | . | . | trans | -63.3 | 132 | 177.7 | -171.9 | 0 | 0 | 0 | 0 | 110.5 | S754 L760 | S754-V756 PolarHBondContact O-N 2.85Å; V756-L760 HydrophobicContact CG1-CB 3.65Å; V756-L760 HydrophobicContact CG1-CD1 4.1Å | ||
| 757 | H | 80.4 | Confident | 75.7 | Confident | 45 Ų | 45 | 88.2 Ų | 88.2 | 21% | 0.208 | 51% | 0.508 | C | S | . | . | trans | -49.3 | 140 | 176.5 | -149.9 | -95.9 | 0 | 0 | 0 | 112.7 | I741 E745 L759 L760 K761 | I741-H757 HydrophobicContact CG2-CB 3.95Å; E745-H757 HydrophobicContact CG-CB 4.36Å; E745-H757 PolarHBondContact OE1-N 2.84Å; H757-L759 VanDerWaalsContact C-N 3.25Å; H757-L759 PolarHBondContact O-N 3.11Å; H757-L760 HydrophobicContact CB-CD1 3.98Å; H757-L760 HydrophobicContact CB-CG 4.49Å; H757-L760 WeakPolarHBondContact O-CB 3.37Å; H757-L760 PolarHBondContact O-N 2.85Å; H757-L760 VanDerWaalsContact O-N 3.09Å; H757-K761 PolarHBondContact O-N 3.02Å | ||
| 758 | P | 82.3 | Confident | 75.6 | Confident | 97 Ų | 97 | 84.2 Ų | 84.2 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -55.8 | -37.8 | -179.6 | -25.8 | 32.9 | 0 | 0 | 0 | 113.8 | K761 A762 | P758-K761 WeakPolarHBondContact O-CB 3.47Å; P758-K761 PolarHBondContact O-N 2.91Å; P758-A762 WeakPolarHBondContact O-CB 3.39Å; P758-A762 PolarHBondContact O-N 3.05Å |
| 759 | L | 78.3 | Confident | 75.5 | Confident | 61 Ų | 61 | 82.6 Ų | 82.6 | 32% | 0.319 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 178 | -71.9 | 167.3 | 0 | 0 | 0 | 111.9 | I741 H757 K761 A762 F763 F771 | I741-L759 HydrophobicContact CD1-CD1 3.45Å; I741-L759 VanDerWaalsContact CD1-CD1 3.45Å; H757-L759 VanDerWaalsContact C-N 3.25Å; H757-L759 PolarHBondContact O-N 3.11Å; L759-K761 VanDerWaalsContact C-N 3.3Å; L759-K761 PolarHBondContact O-N 3.19Å; L759-A762 PolarHBondContact O-N 2.83Å; L759-A762 VanDerWaalsContact O-N 3.13Å; L759-F763 VanDerWaalsContact O-CD2 3.24Å; L759-F763 WeakPolarHBondContact O-CD2 3.3Å; L759-F763 PolarHBondContact O-N 3.37Å; L759-F771 HydrophobicContact CB-CZ 4.42Å |
| 760 | L | 78.5 | Confident | 75.6 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.073 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 174.9 | -79.6 | 159.5 | 0 | 0 | 0 | 111.9 | I741 E745 V756 H757 G764 L768 F771 | I741-L760 HydrophobicContact CG2-CD1 4.25Å; E745-L760 HydrophobicContact CG-CD1 3.69Å; V756-L760 HydrophobicContact CG1-CB 3.65Å; V756-L760 HydrophobicContact CG1-CD1 4.1Å; H757-L760 HydrophobicContact CB-CD1 3.98Å; H757-L760 HydrophobicContact CB-CG 4.49Å; H757-L760 WeakPolarHBondContact O-CB 3.37Å; H757-L760 PolarHBondContact O-N 2.85Å; H757-L760 VanDerWaalsContact O-N 3.09Å; L760-G764 PolarHBondContact O-N 3.33Å; L760-L768 HydrophobicContact CD1-CD1 4.16Å; L760-F771 HydrophobicContact CD2-CB 3.6Å; L760-F771 HydrophobicContact CD2-CD1 3.98Å; L760-F771 HydrophobicContact CD2-CD2 4.07Å; L760-F771 HydrophobicContact CD2-CG 3.6Å; L760-F771 HydrophobicContact CG-CG 4.43Å |
| 761 | K | 76.8 | Confident | 75.9 | Confident | 155 Ų | 155 | 69.5 Ų | 69.5 | 67% | 0.674 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 172.9 | -88.1 | -179.9 | 177.9 | 170.5 | 0 | 112.5 | H757 P758 L759 G764 | H757-K761 PolarHBondContact O-N 3.02Å; P758-K761 WeakPolarHBondContact O-CB 3.47Å; P758-K761 PolarHBondContact O-N 2.91Å; L759-K761 VanDerWaalsContact C-N 3.3Å; L759-K761 PolarHBondContact O-N 3.19Å; K761-G764 PolarHBondContact O-N 3.07Å |
| 762 | A | 76.7 | Confident | 76.3 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 67% | 0.669 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P758 L759 | P758-A762 WeakPolarHBondContact O-CB 3.39Å; P758-A762 PolarHBondContact O-N 3.05Å; L759-A762 PolarHBondContact O-N 2.83Å; L759-A762 VanDerWaalsContact O-N 3.13Å |
| 763 | F | 69.3 | Low | 76.8 | Confident | 57 Ų | 57 | 59 Ų | 59 | 25% | 0.25 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -77.3 | -21.1 | 178.3 | -84.1 | -105.3 | 0 | 0 | 0 | 113.4 | L759 S765 F771 | L759-F763 VanDerWaalsContact O-CD2 3.24Å; L759-F763 WeakPolarHBondContact O-CD2 3.3Å; L759-F763 PolarHBondContact O-N 3.37Å; F763-S765 PolarHBondContact O-N 2.75Å; F763-F771 HydrophobicContact CB-CD2 4.05Å; F763-F771 HydrophobicContact CB-CE2 4.32Å; F763-F771 HydrophobicContact CD1-CD2 4.26Å; F763-F771 HydrophobicContact CD1-CE2 4.24Å; F763-F771 HydrophobicContact CD2-CD2 4.19Å; F763-F771 AromaticContact CD2-CE2 3.6Å; F763-F771 HydrophobicContact CD2-CE2 3.6Å; F763-F771 HydrophobicContact CE1-CE2 4.37Å; F763-F771 AromaticContact CE2-CE2 3.76Å; F763-F771 HydrophobicContact CE2-CE2 3.76Å; F763-F771 AromaticContact CG-CD2 3.93Å; F763-F771 HydrophobicContact CG-CD2 3.93Å; F763-F771 AromaticContact CG-CE2 3.81Å; F763-F771 HydrophobicContact CG-CE2 3.81Å; F763-F771 HydrophobicContact CZ-CE2 4.13Å |
| 764 | G | 69.5 | Low | 77.6 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 61% | 0.608 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 18.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L760 K761 P766 | L760-G764 PolarHBondContact O-N 3.33Å; K761-G764 PolarHBondContact O-N 3.07Å; G764-P766 VanDerWaalsContact O-CD 3.22Å; G764-P766 WeakPolarHBondContact O-CD 3.43Å |
| 765 | S | 62.1 | Low | 78.6 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | trans | -106.9 | 96.5 | -179.5 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | F763 D774 | F763-S765 PolarHBondContact O-N 2.75Å; S765-D774 WeakPolarHBondContact CB-OD2 3.24Å; S765-D774 PolarHBondContact OG-OD2 2.79Å; S765-D774 VanDerWaalsContact OG-OD2 3.05Å | ||
| 766 | P | 63.6 | Low | 79.3 | Confident | 122 Ų | 122 | 44.1 Ų | 44.1 | 79% | 0.792 | 27% | 0.266 | S | S | * | . | trans | -93 | 77.7 | 175.6 | 34.9 | -30 | 0 | 0 | 0 | 109 | G764 | G764-P766 VanDerWaalsContact O-CD 3.22Å; G764-P766 WeakPolarHBondContact O-CD 3.43Å | ||
| 767 | P | 77.3 | Confident | 79.9 | Confident | 28 Ų | 28 | 48.5 Ų | 48.5 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | S | Bend | -138.6 | 157.9 | 90.1 | 16.8 | 6.2 | 0 | 0 | 0 | 114 | E769 C770 F771 R809 | P767-E769 PolarHBondContact O-N 3.18Å; P767-C770 WeakPolarHBondContact CD-SG 3.47Å; P767-C770 HydrophobicContact CG-CB 4.48Å; P767-C770 PolarHBondContact O-N 2.84Å; P767-F771 PolarHBondContact O-N 2.82Å; P767-R809 VanDerWaalsContact CB-CZ 3.45Å; P767-R809 VanDerWaalsContact CB-NH1 3.27Å | |
| 768 | L | 81.7 | Confident | 80.3 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 22% | 0.22 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -45.1 | -36 | 177.2 | -112.3 | 84.9 | 0 | 0 | 0 | 114.6 | C742 E745 L746 L760 F771 M772 | C742-L768 VanDerWaalsContact CA-CD2 3.47Å; C742-L768 HydrophobicContact CB-CD2 3.76Å; C742-L768 HydrophobicContact CB-CG 4.5Å; C742-L768 WeakPolarHBondContact O-CD2 3.39Å; E745-L768 HydrophobicContact CB-CD1 3.78Å; E745-L768 HydrophobicContact CB-CD2 4.03Å; E745-L768 HydrophobicContact CB-CG 4.36Å; E745-L768 HydrophobicContact CG-CD1 4.45Å; L746-L768 HydrophobicContact CD1-CD2 4.36Å; L746-L768 HydrophobicContact CG-CD2 3.97Å; L760-L768 HydrophobicContact CD1-CD1 4.16Å; L768-F771 PolarHBondContact O-N 2.83Å; L768-M772 PolarHBondContact O-N 2.86Å |
| 769 | E | 82.3 | Confident | 80.5 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.3 | -39.4 | -175.9 | -53.3 | 157.1 | -147.8 | 0 | 0 | 111.5 | P767 V773 K805 A806 R809 | P767-E769 PolarHBondContact O-N 3.18Å; E769-V773 WeakPolarHBondContact O-CG2 3.27Å; E769-V773 PolarHBondContact O-N 3.46Å; E769-K805 HydrophobicContact CG-CB 3.72Å; E769-K805 HydrophobicContact CG-CD 4.18Å; E769-K805 WeakPolarHBondContact OE1-CB 3.16Å; E769-K805 WeakPolarHBondContact OE2-CB 3.41Å; E769-K805 VanDerWaalsContact OE2-O 3.11Å; E769-A806 HydrophobicContact CB-CB 4.15Å; E769-A806 PolarHBondContact OE2-N 2.97Å; E769-R809 VanDerWaalsContact CD-NE 3.28Å; E769-R809 IonicContact OE1-CZ 3.84Å; E769-R809 IonicContact OE1-NE 3.65Å; E769-R809 PolarHBondContact OE1-NE 2.74Å; E769-R809 IonicContact OE1-NH2 2.89Å; E769-R809 PolarHBondContact OE1-NH2 3.04Å; E769-R809 WeakPolarHBondContact OE2-CD 3.25Å; E769-R809 IonicContact OE2-CZ 3.85Å; E769-R809 IonicContact OE2-NE 3.79Å; E769-R809 PolarHBondContact OE2-NE 3.47Å; E769-R809 IonicContact OE2-NH2 3.34Å |
| 770 | C | 82.9 | Confident | 80.8 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.6 | -37.3 | 177 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | P767 M772 V773 D774 Y811 | P767-C770 WeakPolarHBondContact CD-SG 3.47Å; P767-C770 HydrophobicContact CG-CB 4.48Å; P767-C770 PolarHBondContact O-N 2.84Å; C770-M772 VanDerWaalsContact C-N 3.28Å; C770-M772 PolarHBondContact O-N 3.46Å; C770-V773 CarbonylContact O-C 3.57Å; C770-V773 PolarHBondContact O-N 3.35Å; C770-D774 WeakPolarHBondContact O-CB 3.3Å; C770-D774 PolarHBondContact O-N 3.26Å; C770-Y811 HydrophobicContact CB-CD1 4.23Å; C770-Y811 HydrophobicContact CB-CE1 4.01Å |
| 771 | F | 87.1 | Confident | 80.9 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.9 | -44.9 | 174.1 | 172 | -103.9 | 0 | 0 | 0 | 112 | A738 L759 L760 F763 P767 L768 V773 D774 V775 | A738-F771 HydrophobicContact CB-CE1 3.98Å; L759-F771 HydrophobicContact CB-CZ 4.42Å; L760-F771 HydrophobicContact CD2-CB 3.6Å; L760-F771 HydrophobicContact CD2-CD1 3.98Å; L760-F771 HydrophobicContact CD2-CD2 4.07Å; L760-F771 HydrophobicContact CD2-CG 3.6Å; L760-F771 HydrophobicContact CG-CG 4.43Å; F763-F771 HydrophobicContact CB-CD2 4.05Å; F763-F771 HydrophobicContact CB-CE2 4.32Å; F763-F771 HydrophobicContact CD1-CD2 4.26Å; F763-F771 HydrophobicContact CD1-CE2 4.24Å; F763-F771 HydrophobicContact CD2-CD2 4.19Å; F763-F771 AromaticContact CD2-CE2 3.6Å; F763-F771 HydrophobicContact CD2-CE2 3.6Å; F763-F771 HydrophobicContact CE1-CE2 4.37Å; F763-F771 AromaticContact CE2-CE2 3.76Å; F763-F771 HydrophobicContact CE2-CE2 3.76Å; F763-F771 AromaticContact CG-CD2 3.93Å; F763-F771 HydrophobicContact CG-CD2 3.93Å; F763-F771 AromaticContact CG-CE2 3.81Å; F763-F771 HydrophobicContact CG-CE2 3.81Å; F763-F771 HydrophobicContact CZ-CE2 4.13Å; P767-F771 PolarHBondContact O-N 2.82Å; L768-F771 PolarHBondContact O-N 2.83Å; F771-V773 VanDerWaalsContact C-N 3.34Å; F771-V773 PolarHBondContact O-N 2.72Å; F771-D774 PolarHBondContact O-N 3.44Å; F771-V775 HydrophobicContact CE1-CG2 4.37Å; F771-V775 HydrophobicContact CE2-CG2 4.2Å; F771-V775 HydrophobicContact CZ-CG2 4.06Å; F771-V775 WeakPolarHBondContact O-CG2 3.37Å; F771-V775 PolarHBondContact O-N 2.94Å |
| 772 | M | 88.3 | Confident | 81 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -43 | 175.6 | -179.2 | 53.6 | 57 | 0 | 0 | 112.6 | A738 V739 L768 C770 V775 L776 L799 L802 | A738-M772 HydrophobicContact CB-CE 3.6Å; A738-M772 HydrophobicContact CB-SD 4.26Å; A738-M772 WeakPolarHBondContact O-CE 3.44Å; V739-M772 HydrophobicContact CB-CE 4.14Å; V739-M772 HydrophobicContact CG2-CE 3.48Å; V739-M772 VanDerWaalsContact CG2-CE 3.48Å; V739-M772 HydrophobicContact CG2-SD 4.06Å; V739-M772 VanDerWaalsContact N-CE 3.34Å; L768-M772 PolarHBondContact O-N 2.86Å; C770-M772 VanDerWaalsContact C-N 3.28Å; C770-M772 PolarHBondContact O-N 3.46Å; M772-V775 PolarHBondContact O-N 3.48Å; M772-L776 HydrophobicContact CG-CD1 4.5Å; M772-L776 PolarHBondContact O-N 2.66Å; M772-L776 VanDerWaalsContact O-N 3.11Å; M772-L799 HydrophobicContact CE-CD1 4.36Å; M772-L799 HydrophobicContact CG-CD1 3.9Å; M772-L799 HydrophobicContact SD-CD1 3.48Å; M772-L799 WeakPolarHBondContact SD-CD1 3.48Å; M772-L802 HydrophobicContact CB-CD1 4.39Å; M772-L802 HydrophobicContact CE-CD1 3.99Å; M772-L802 HydrophobicContact CG-CD1 4.16Å |
| 773 | V | 86.7 | Confident | 81.3 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.4 | -38.1 | 178.8 | 177 | 0 | 0 | 0 | 0 | 111.1 | E769 C770 F771 V775 L776 R777 A806 Y811 E812 I816 | E769-V773 WeakPolarHBondContact O-CG2 3.27Å; E769-V773 PolarHBondContact O-N 3.46Å; C770-V773 CarbonylContact O-C 3.57Å; C770-V773 PolarHBondContact O-N 3.35Å; F771-V773 VanDerWaalsContact C-N 3.34Å; F771-V773 PolarHBondContact O-N 2.72Å; V773-V775 VanDerWaalsContact C-N 3.3Å; V773-V775 PolarHBondContact O-N 2.95Å; V773-L776 PolarHBondContact O-N 3.34Å; V773-R777 WeakPolarHBondContact O-CB 3.2Å; V773-R777 PolarHBondContact O-N 3.47Å; V773-A806 HydrophobicContact CG2-CB 4.2Å; V773-Y811 HydrophobicContact CB-CD1 4.21Å; V773-Y811 HydrophobicContact CB-CE1 4.47Å; V773-Y811 HydrophobicContact CG1-CD1 3.99Å; V773-Y811 HydrophobicContact CG1-CE1 4.24Å; V773-E812 HydrophobicContact CG1-CB 3.99Å; V773-E812 HydrophobicContact CG1-CG 4.31Å; V773-I816 HydrophobicContact CG2-CD1 3.84Å; V773-I816 HydrophobicContact CG2-CG1 4.11Å |
| 774 | D | 87.4 | Confident | 82.1 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 177.1 | -62.5 | -29 | 0 | 0 | 0 | 111.4 | S765 C770 F771 R778 | S765-D774 WeakPolarHBondContact CB-OD2 3.24Å; S765-D774 PolarHBondContact OG-OD2 2.79Å; S765-D774 VanDerWaalsContact OG-OD2 3.05Å; C770-D774 WeakPolarHBondContact O-CB 3.3Å; C770-D774 PolarHBondContact O-N 3.26Å; F771-D774 PolarHBondContact O-N 3.44Å; D774-R778 PolarHBondContact O-N 3.09Å |
| 775 | V | 89.1 | Confident | 82.8 | Confident | 15 Ų | 15 | 37.3 Ų | 37.3 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -46.6 | 172.6 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | I735 A738 F771 M772 V773 R777 R778 | I735-V775 HydrophobicContact CG1-CG1 4.43Å; A738-V775 HydrophobicContact CB-CB 4.35Å; A738-V775 HydrophobicContact CB-CG1 4.14Å; A738-V775 HydrophobicContact CB-CG2 4.04Å; F771-V775 HydrophobicContact CE1-CG2 4.37Å; F771-V775 HydrophobicContact CE2-CG2 4.2Å; F771-V775 HydrophobicContact CZ-CG2 4.06Å; F771-V775 WeakPolarHBondContact O-CG2 3.37Å; F771-V775 PolarHBondContact O-N 2.94Å; M772-V775 PolarHBondContact O-N 3.48Å; V773-V775 VanDerWaalsContact C-N 3.3Å; V773-V775 PolarHBondContact O-N 2.95Å; V775-R777 VanDerWaalsContact C-N 3.28Å; V775-R777 PolarHBondContact O-N 3.13Å; V775-R778 PolarHBondContact O-N 2.98Å; V775-R778 VanDerWaalsContact O-N 3.17Å |
| 776 | L | 90.6 | Very high | 83.6 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -36.7 | 176.8 | -73.1 | 166.7 | 0 | 0 | 0 | 112.4 | I735 M772 V773 R778 V779 L784 L788 F803 M815 | I735-L776 HydrophobicContact CD1-CD2 3.72Å; I735-L776 HydrophobicContact CG1-CD2 3.97Å; I735-L776 HydrophobicContact CG2-CD2 4.49Å; M772-L776 HydrophobicContact CG-CD1 4.5Å; M772-L776 PolarHBondContact O-N 2.66Å; M772-L776 VanDerWaalsContact O-N 3.11Å; V773-L776 PolarHBondContact O-N 3.34Å; L776-R778 VanDerWaalsContact C-N 3.28Å; L776-R778 PolarHBondContact O-N 3.35Å; L776-V779 WeakPolarHBondContact O-CB 3.28Å; L776-V779 PolarHBondContact O-N 2.81Å; L776-L784 HydrophobicContact CD2-CD1 3.98Å; L776-L788 HydrophobicContact CD2-CD2 4.3Å; L776-F803 HydrophobicContact CD1-CE1 3.44Å; L776-F803 VanDerWaalsContact CD1-CE1 3.44Å; L776-F803 HydrophobicContact CD1-CZ 3.53Å; L776-M815 HydrophobicContact CB-CE 4.11Å; L776-M815 WeakPolarHBondContact O-CE 3.29Å |
| 777 | R | 87.8 | Confident | 84.8 | Confident | 161 Ų | 161 | 31.4 Ų | 31.4 | 61% | 0.608 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -65.4 | -27.7 | 177.9 | 178.7 | 171.7 | 173.2 | 178.4 | -6 | 113.6 | V773 V775 V779 E812 M815 | V773-R777 WeakPolarHBondContact O-CB 3.2Å; V773-R777 PolarHBondContact O-N 3.47Å; V775-R777 VanDerWaalsContact C-N 3.28Å; V775-R777 PolarHBondContact O-N 3.13Å; R777-V779 VanDerWaalsContact C-N 3.29Å; R777-E812 WeakPolarHBondContact CD-OE1 3.31Å; R777-E812 IonicContact CZ-OE1 3.04Å; R777-E812 IonicContact NE-OE1 3.65Å; R777-E812 IonicContact NH1-OE1 3.15Å; R777-E812 PolarHBondContact NH1-OE1 2.69Å; R777-M815 HydrophobicContact CB-SD 4.49Å |
| 778 | R | 88.1 | Confident | 85.4 | Confident | 176 Ų | 176 | 30.1 Ų | 30.1 | 66% | 0.664 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -73.8 | -24.4 | 175.6 | -72.6 | 179.1 | 178 | -171.3 | 1.4 | 112.6 | D774 V775 L776 | D774-R778 PolarHBondContact O-N 3.09Å; V775-R778 PolarHBondContact O-N 2.98Å; V775-R778 VanDerWaalsContact O-N 3.17Å; L776-R778 VanDerWaalsContact C-N 3.28Å; L776-R778 PolarHBondContact O-N 3.35Å |
| 779 | V | 87.3 | Confident | 85.6 | Confident | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -71 | 129.2 | 177.4 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | N731 I735 L776 R777 S781 N783 L784 | N731-V779 HydrophobicContact CB-CG1 3.98Å; N731-V779 HydrophobicContact CB-CG2 3.94Å; I735-V779 HydrophobicContact CD1-CG2 4.23Å; L776-V779 WeakPolarHBondContact O-CB 3.28Å; L776-V779 PolarHBondContact O-N 2.81Å; R777-V779 VanDerWaalsContact C-N 3.29Å; V779-S781 PolarHBondContact O-N 3.24Å; V779-N783 HydrophobicContact CG1-CB 4.28Å; V779-L784 HydrophobicContact CB-CD1 4.16Å; V779-L784 HydrophobicContact CG1-CB 4.33Å; V779-L784 HydrophobicContact CG1-CD1 4.16Å |
| 780 | P | 82.8 | Confident | 85.7 | Confident | 53 Ų | 53 | 31 Ų | 31 | 34% | 0.344 | 15% | 0.145 | S | C | . | . | trans | -55.6 | 132.4 | 173.5 | -22.3 | 32.4 | 0 | 0 | 0 | 110 | S782 N783 L784 | P780-S782 PolarHBondContact O-N 2.95Å; P780-S782 VanDerWaalsContact O-N 3.14Å; P780-N783 HydrophobicContact CB-CB 4.22Å; P780-N783 HydrophobicContact CG-CB 4.48Å; P780-N783 CarbonylContact O-C 3.58Å; P780-N783 WeakPolarHBondContact O-CA 3.49Å; P780-N783 WeakPolarHBondContact O-CB 3.5Å; P780-N783 PolarHBondContact O-N 2.96Å; P780-L784 PolarHBondContact O-N 3.41Å | ||
| 781 | S | 81.6 | Confident | 85.9 | Confident | 31 Ų | 31 | 30.8 Ų | 30.8 | 22% | 0.217 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -44.2 | -41.3 | 173 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | E135 V779 N783 L784 | E135-S781 WeakPolarHBondContact CB-OG 3.4Å; E135-S781 PolarHBondContact OE2-OG 2.7Å; V779-S781 PolarHBondContact O-N 3.24Å; S781-N783 VanDerWaalsContact C-N 3.29Å; S781-N783 PolarHBondContact O-N 3.48Å; S781-L784 PolarHBondContact O-N 3.45Å |
| 782 | S | 79.1 | Confident | 86 | Confident | 17 Ų | 17 | 33.5 Ų | 33.5 | 12% | 0.119 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -29.2 | 177.6 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | T98 E135 P780 | T98-S782 PolarHBondContact O-OG 2.93Å; E135-S782 WeakPolarHBondContact O-CA 3.49Å; E135-S782 VanDerWaalsContact O-CB 3.27Å; E135-S782 WeakPolarHBondContact O-CB 3.37Å; E135-S782 PolarHBondContact O-N 2.84Å; P780-S782 PolarHBondContact O-N 2.95Å; P780-S782 VanDerWaalsContact O-N 3.14Å |
| 783 | N | 82.9 | Confident | 85.8 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -96.5 | -17.8 | -178.5 | -70.7 | -15.9 | 0 | 0 | 0 | 112.7 | I728 V779 P780 S781 E785 K786 S787 | I728-N783 HydrophobicContact CD1-CB 4.4Å; I728-N783 HydrophobicContact CG1-CB 3.67Å; V779-N783 HydrophobicContact CG1-CB 4.28Å; P780-N783 HydrophobicContact CB-CB 4.22Å; P780-N783 HydrophobicContact CG-CB 4.48Å; P780-N783 CarbonylContact O-C 3.58Å; P780-N783 WeakPolarHBondContact O-CA 3.49Å; P780-N783 WeakPolarHBondContact O-CB 3.5Å; P780-N783 PolarHBondContact O-N 2.96Å; S781-N783 VanDerWaalsContact C-N 3.29Å; S781-N783 PolarHBondContact O-N 3.48Å; N783-E785 PolarHBondContact O-N 2.83Å; N783-K786 PolarHBondContact O-N 3.34Å; N783-S787 PolarHBondContact O-N 2.73Å; N783-S787 PolarHBondContact O-OG 2.77Å |
| 784 | L | 86.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | -172.2 | -174.8 | 68.2 | 0 | 0 | 0 | 112.7 | L776 V779 P780 S781 K786 S787 L788 M815 | L776-L784 HydrophobicContact CD2-CD1 3.98Å; V779-L784 HydrophobicContact CB-CD1 4.16Å; V779-L784 HydrophobicContact CG1-CB 4.33Å; V779-L784 HydrophobicContact CG1-CD1 4.16Å; P780-L784 PolarHBondContact O-N 3.41Å; S781-L784 PolarHBondContact O-N 3.45Å; L784-K786 VanDerWaalsContact C-N 3.29Å; L784-K786 PolarHBondContact O-N 3.04Å; L784-S787 WeakPolarHBondContact CA-OG 3.25Å; L784-S787 PolarHBondContact O-N 2.91Å; L784-S787 PolarHBondContact O-OG 3.18Å; L784-L788 HydrophobicContact CG-CD1 4.27Å; L784-L788 WeakPolarHBondContact O-CB 3.34Å; L784-L788 VanDerWaalsContact O-CG 3.24Å; L784-L788 WeakPolarHBondContact O-CG 3.22Å; L784-L788 PolarHBondContact O-N 2.76Å; L784-M815 HydrophobicContact CD1-CE 4.14Å; L784-M815 HydrophobicContact CD2-CE 3.58Å |
| 785 | E | 83.3 | Confident | 86 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | -178.5 | -73.2 | -174.5 | -170.5 | 0 | 0 | 111.9 | N783 I789 R818 F822 | N783-E785 PolarHBondContact O-N 2.83Å; E785-I789 WeakPolarHBondContact O-CG1 3.28Å; E785-I789 PolarHBondContact O-N 3.32Å; E785-R818 IonicContact OE1-CZ 2.64Å; E785-R818 IonicContact OE1-NE 3.88Å; E785-R818 PolarHBondContact OE1-NE 2.84Å; E785-R818 IonicContact OE1-NH2 2.75Å; E785-R818 PolarHBondContact OE1-NH2 3.4Å; E785-F822 HydrophobicContact CB-CD2 4.5Å; E785-F822 HydrophobicContact CB-CE1 4.03Å; E785-F822 HydrophobicContact CB-CE2 3.77Å; E785-F822 HydrophobicContact CB-CZ 3.49Å; E785-F822 VanDerWaalsContact CB-CZ 3.49Å; E785-F822 HydrophobicContact CG-CD2 4.06Å; E785-F822 HydrophobicContact CG-CE1 4.4Å; E785-F822 HydrophobicContact CG-CE2 3.78Å; E785-F822 HydrophobicContact CG-CG 4.48Å; E785-F822 HydrophobicContact CG-CZ 3.96Å; E785-F822 WeakPolarHBondContact O-CE1 3.33Å; E785-F822 WeakPolarHBondContact O-CZ 3.44Å |
| 786 | K | 79.9 | Confident | 86 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -77.2 | -38.2 | 179.3 | -104 | -158.2 | 172 | -168.3 | 0 | 114.1 | D708 A722 K723 I728 N783 L784 L788 I789 M790 | D708-K786 IonicContact OD1-NZ 3.45Å; D708-K786 WeakPolarHBondContact OD2-CE 3.47Å; D708-K786 IonicContact OD2-NZ 3.99Å; D708-K786 PolarHBondContact OD2-NZ 2.5Å; A722-K786 VanDerWaalsContact C-CE 3.49Å; A722-K786 HydrophobicContact CB-CB 4.32Å; A722-K786 HydrophobicContact CB-CD 3.64Å; A722-K786 HydrophobicContact CB-CG 3.86Å; A722-K786 WeakPolarHBondContact O-CE 3.25Å; A722-K786 PolarHBondContact O-NZ 3.07Å; K723-K786 WeakPolarHBondContact O-CD 2.9Å; I728-K786 HydrophobicContact CD1-CB 4.14Å; I728-K786 HydrophobicContact CD1-CD 4.3Å; I728-K786 HydrophobicContact CG2-CB 3.95Å; N783-K786 PolarHBondContact O-N 3.34Å; L784-K786 VanDerWaalsContact C-N 3.29Å; L784-K786 PolarHBondContact O-N 3.04Å; K786-L788 PolarHBondContact O-N 2.93Å; K786-I789 HydrophobicContact CG-CD1 4.4Å; K786-I789 WeakPolarHBondContact O-CB 3.46Å; K786-I789 PolarHBondContact O-N 2.98Å; K786-I789 VanDerWaalsContact O-N 3.13Å; K786-M790 WeakPolarHBondContact O-CG 3.28Å; K786-M790 PolarHBondContact O-N 3.4Å |
| 787 | S | 88.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -37.8 | 173.3 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | N783 L784 I789 M790 | N783-S787 PolarHBondContact O-N 2.73Å; N783-S787 PolarHBondContact O-OG 2.77Å; L784-S787 WeakPolarHBondContact CA-OG 3.25Å; L784-S787 PolarHBondContact O-N 2.91Å; L784-S787 PolarHBondContact O-OG 3.18Å; S787-I789 PolarHBondContact O-N 3.49Å; S787-M790 PolarHBondContact O-N 3.1Å |
| 788 | L | 88.9 | Confident | 86 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -32.3 | 174.2 | -69.9 | 176.2 | 0 | 0 | 0 | 114 | L776 L784 K786 M790 L791 L799 C819 F822 L823 | L776-L788 HydrophobicContact CD2-CD2 4.3Å; L784-L788 HydrophobicContact CG-CD1 4.27Å; L784-L788 WeakPolarHBondContact O-CB 3.34Å; L784-L788 VanDerWaalsContact O-CG 3.24Å; L784-L788 WeakPolarHBondContact O-CG 3.22Å; L784-L788 PolarHBondContact O-N 2.76Å; K786-L788 PolarHBondContact O-N 2.93Å; L788-M790 VanDerWaalsContact C-N 3.3Å; L788-M790 PolarHBondContact O-N 2.75Å; L788-L791 HydrophobicContact CD2-CD1 3.65Å; L788-L791 WeakPolarHBondContact O-CB 3.41Å; L788-L791 PolarHBondContact O-N 3.25Å; L788-L799 HydrophobicContact CD2-CD2 4.24Å; L788-C819 HydrophobicContact CD1-CB 4.01Å; L788-F822 HydrophobicContact CB-CD1 4.09Å; L788-F822 HydrophobicContact CB-CE1 3.93Å; L788-F822 HydrophobicContact CD1-CD1 4Å; L788-L823 HydrophobicContact CB-CD2 4.07Å; L788-L823 HydrophobicContact CD2-CD1 4.31Å; L788-L823 HydrophobicContact CD2-CD2 4.37Å |
| 789 | I | 85.9 | Confident | 86.2 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 11% | 0.113 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.2 | -32.9 | 175.6 | -72 | 164.2 | 0 | 0 | 0 | 111.7 | L720 E785 K786 S787 L791 F822 I826 | L720-I789 HydrophobicContact CD1-CD1 4.2Å; L720-I789 HydrophobicContact CD2-CD1 4.42Å; E785-I789 WeakPolarHBondContact O-CG1 3.28Å; E785-I789 PolarHBondContact O-N 3.32Å; K786-I789 HydrophobicContact CG-CD1 4.4Å; K786-I789 WeakPolarHBondContact O-CB 3.46Å; K786-I789 PolarHBondContact O-N 2.98Å; K786-I789 VanDerWaalsContact O-N 3.13Å; S787-I789 PolarHBondContact O-N 3.49Å; I789-L791 PolarHBondContact O-N 2.88Å; I789-F822 HydrophobicContact CD1-CE1 4.44Å; I789-F822 HydrophobicContact CD1-CZ 3.88Å; I789-F822 HydrophobicContact CG1-CE1 3.95Å; I789-F822 HydrophobicContact CG1-CZ 3.88Å; I789-I826 HydrophobicContact CD1-CD1 4.14Å; I789-I826 HydrophobicContact CG1-CD1 3.45Å; I789-I826 VanDerWaalsContact CG1-CD1 3.45Å; I789-I826 HydrophobicContact CG1-CG1 4.49Å |
| 790 | M | 84.2 | Confident | 86.3 | Confident | 55 Ų | 55 | 26.5 Ų | 26.5 | 27% | 0.271 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -12.8 | -177.9 | -61.5 | -80.6 | -142.1 | 0 | 0 | 112.8 | R724 I728 I729 A732 K786 S787 L788 | R724-M790 HydrophobicContact CB-CE 4.48Å; R724-M790 HydrophobicContact CG-CE 3.64Å; R724-M790 VanDerWaalsContact NE-CE 3.29Å; I728-M790 HydrophobicContact CG2-CE 4.4Å; I729-M790 HydrophobicContact CG1-CE 3.94Å; A732-M790 HydrophobicContact CB-CB 3.89Å; A732-M790 HydrophobicContact CB-CG 4.44Å; K786-M790 WeakPolarHBondContact O-CG 3.28Å; K786-M790 PolarHBondContact O-N 3.4Å; S787-M790 PolarHBondContact O-N 3.1Å; L788-M790 VanDerWaalsContact C-N 3.3Å; L788-M790 PolarHBondContact O-N 2.75Å |
| 791 | L | 87.9 | Confident | 86.7 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -67.7 | 133.7 | -176.5 | -66.8 | 173.4 | 0 | 0 | 0 | 111.8 | I735 I736 L788 I789 V796 L799 | I735-L791 HydrophobicContact CB-CD2 4.35Å; I735-L791 HydrophobicContact CG2-CD1 4.19Å; I735-L791 HydrophobicContact CG2-CD2 3.91Å; I736-L791 HydrophobicContact CD1-CD2 4.18Å; I736-L791 HydrophobicContact CG1-CD2 3.49Å; I736-L791 VanDerWaalsContact CG1-CD2 3.49Å; L788-L791 HydrophobicContact CD2-CD1 3.65Å; L788-L791 WeakPolarHBondContact O-CB 3.41Å; L788-L791 PolarHBondContact O-N 3.25Å; I789-L791 PolarHBondContact O-N 2.88Å; L791-V796 HydrophobicContact CB-CG2 4.03Å; L791-L799 HydrophobicContact CD1-CD2 4.37Å |
| 792 | P | 88.7 | Confident | 87 | Confident | 61 Ų | 61 | 27.2 Ų | 27.2 | 40% | 0.396 | 15% | 0.149 | S | C | . | . | trans | -64.3 | 145.2 | 171.1 | -17.6 | 29 | 0 | 0 | 0 | 111.4 | D794 H795 V796 | P792-D794 PolarHBondContact O-N 3.13Å; P792-H795 WeakPolarHBondContact O-CB 3.28Å; P792-H795 PolarHBondContact O-N 3.03Å; P792-V796 PolarHBondContact O-N 3.13Å | ||
| 793 | A | 84.4 | Confident | 87.6 | Confident | 41 Ų | 41 | 26.5 Ų | 26.5 | 34% | 0.339 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -55.4 | -31.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V796 L797 | A793-V796 PolarHBondContact O-N 3.45Å; A793-L797 PolarHBondContact O-N 2.97Å |
| 794 | D | 86.4 | Confident | 87.9 | Confident | 113 Ų | 113 | 26.4 Ų | 26.4 | 60% | 0.604 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -64.7 | -45.2 | 176.1 | -72.5 | -22 | 0 | 0 | 0 | 111.5 | P792 V796 L797 D798 | P792-D794 PolarHBondContact O-N 3.13Å; D794-V796 VanDerWaalsContact C-N 3.27Å; D794-V796 PolarHBondContact O-N 2.85Å; D794-L797 PolarHBondContact O-N 2.94Å; D794-D798 PolarHBondContact O-N 3.5Å |
| 795 | H | 91.2 | Very high | 88 | Confident | 28 Ų | 28 | 29.2 Ų | 29.2 | 13% | 0.13 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.9 | -32.8 | 178.4 | -63.6 | 84 | 0 | 0 | 0 | 111.9 | V739 D740 P792 L797 D798 L799 | V739-H795 HydrophobicContact CG1-CB 4.38Å; D740-H795 IonicContact OD1-CD2 2.76Å; D740-H795 IonicContact OD1-NE2 3.39Å; D740-H795 PolarHBondContact OD1-NE2 3.22Å; D740-H795 IonicContact OD2-NE2 3.67Å; P792-H795 WeakPolarHBondContact O-CB 3.28Å; P792-H795 PolarHBondContact O-N 3.03Å; H795-L797 VanDerWaalsContact C-N 3.31Å; H795-L797 PolarHBondContact O-N 3.13Å; H795-D798 PolarHBondContact O-N 2.88Å; H795-L799 WeakPolarHBondContact O-CB 3.06Å; H795-L799 PolarHBondContact O-N 2.82Å |
| 796 | V | 90.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.8 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | L791 P792 A793 D794 D798 L799 L800 L823 | L791-V796 HydrophobicContact CB-CG2 4.03Å; P792-V796 PolarHBondContact O-N 3.13Å; A793-V796 PolarHBondContact O-N 3.45Å; D794-V796 VanDerWaalsContact C-N 3.27Å; D794-V796 PolarHBondContact O-N 2.85Å; V796-D798 PolarHBondContact O-N 3.12Å; V796-L799 PolarHBondContact O-N 2.85Å; V796-L800 HydrophobicContact CG1-CD1 4.09Å; V796-L800 HydrophobicContact CG1-CG 4.45Å; V796-L800 WeakPolarHBondContact O-CB 3.42Å; V796-L800 VanDerWaalsContact O-CG 3.26Å; V796-L800 WeakPolarHBondContact O-CG 3.24Å; V796-L800 PolarHBondContact O-N 2.88Å; V796-L823 HydrophobicContact CG1-CB 4.18Å; V796-L823 HydrophobicContact CG1-CD1 4.46Å; V796-L823 HydrophobicContact CG1-CD2 4.12Å; V796-L823 HydrophobicContact CG2-CD2 4.1Å |
| 797 | L | 88 | Confident | 88.6 | Confident | 23 Ų | 23 | 26.9 Ų | 26.9 | 12% | 0.12 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.6 | -70.4 | 172.5 | 0 | 0 | 0 | 112.2 | A793 D794 H795 Q801 L831 A837 | A793-L797 PolarHBondContact O-N 2.97Å; D794-L797 PolarHBondContact O-N 2.94Å; H795-L797 VanDerWaalsContact C-N 3.31Å; H795-L797 PolarHBondContact O-N 3.13Å; L797-Q801 WeakPolarHBondContact O-CG 3.16Å; L797-Q801 PolarHBondContact O-N 2.88Å; L797-L831 HydrophobicContact CD2-CD2 3.54Å; L797-A837 HydrophobicContact CD2-CB 3.64Å |
| 798 | D | 89.4 | Confident | 88.7 | Confident | 37 Ų | 37 | 32.1 Ų | 32.1 | 20% | 0.198 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.2 | -39.9 | 179.1 | -60.8 | -62.5 | 0 | 0 | 0 | 111.4 | V739 K743 D794 H795 V796 L800 Q801 L802 | V739-D798 HydrophobicContact CG1-CB 4.01Å; K743-D798 WeakPolarHBondContact CE-OD2 3.4Å; K743-D798 IonicContact NZ-OD2 2.66Å; K743-D798 PolarHBondContact NZ-OD2 3.23Å; D794-D798 PolarHBondContact O-N 3.5Å; H795-D798 PolarHBondContact O-N 2.88Å; V796-D798 PolarHBondContact O-N 3.12Å; D798-L800 PolarHBondContact O-N 2.84Å; D798-Q801 WeakPolarHBondContact O-CB 3.37Å; D798-Q801 PolarHBondContact O-N 2.88Å; D798-L802 WeakPolarHBondContact O-CG 3.12Å; D798-L802 PolarHBondContact O-N 2.79Å |
| 799 | L | 92.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 173.6 | -162.6 | 86.8 | 0 | 0 | 0 | 111.4 | I735 V739 M772 L788 L791 H795 V796 Q801 L802 F803 L823 | I735-L799 HydrophobicContact CG2-CD1 4.36Å; V739-L799 HydrophobicContact CG2-CD1 3.57Å; M772-L799 HydrophobicContact CE-CD1 4.36Å; M772-L799 HydrophobicContact CG-CD1 3.9Å; M772-L799 HydrophobicContact SD-CD1 3.48Å; M772-L799 WeakPolarHBondContact SD-CD1 3.48Å; L788-L799 HydrophobicContact CD2-CD2 4.24Å; L791-L799 HydrophobicContact CD1-CD2 4.37Å; H795-L799 WeakPolarHBondContact O-CB 3.06Å; H795-L799 PolarHBondContact O-N 2.82Å; V796-L799 PolarHBondContact O-N 2.85Å; L799-Q801 VanDerWaalsContact C-N 3.26Å; L799-Q801 PolarHBondContact O-N 2.82Å; L799-L802 PolarHBondContact O-N 2.85Å; L799-L802 VanDerWaalsContact O-N 3.11Å; L799-F803 HydrophobicContact CD1-CZ 4.37Å; L799-F803 HydrophobicContact CD2-CD2 4.5Å; L799-F803 HydrophobicContact CD2-CE1 4.35Å; L799-F803 HydrophobicContact CD2-CE2 3.57Å; L799-F803 HydrophobicContact CD2-CZ 3.48Å; L799-F803 VanDerWaalsContact CD2-CZ 3.48Å; L799-F803 HydrophobicContact CG-CD2 4.48Å; L799-F803 HydrophobicContact CG-CE1 4.1Å; L799-F803 HydrophobicContact CG-CE2 3.91Å; L799-F803 HydrophobicContact CG-CZ 3.7Å; L799-F803 WeakPolarHBondContact O-CG 3.5Å; L799-F803 PolarHBondContact O-N 2.75Å; L799-L823 HydrophobicContact CD2-CD1 3.47Å; L799-L823 VanDerWaalsContact CD2-CD1 3.47Å |
| 800 | L | 91 | Very high | 88.5 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -33.3 | 176.1 | -73.1 | 170.9 | 0 | 0 | 0 | 112.4 | V796 D798 F803 C804 I824 L831 V840 L844 | V796-L800 HydrophobicContact CG1-CD1 4.09Å; V796-L800 HydrophobicContact CG1-CG 4.45Å; V796-L800 WeakPolarHBondContact O-CB 3.42Å; V796-L800 VanDerWaalsContact O-CG 3.26Å; V796-L800 WeakPolarHBondContact O-CG 3.24Å; V796-L800 PolarHBondContact O-N 2.88Å; D798-L800 PolarHBondContact O-N 2.84Å; L800-F803 HydrophobicContact CD2-CD2 4.37Å; L800-C804 PolarHBondContact O-N 3.17Å; L800-C804 VanDerWaalsContact O-N 3.11Å; L800-C804 PolarHBondContact O-SG 2.84Å; L800-I824 HydrophobicContact CD2-CG1 4.33Å; L800-L831 HydrophobicContact CD1-CD1 4.47Å; L800-L831 HydrophobicContact CD1-CD2 4.25Å; L800-V840 HydrophobicContact CB-CG1 3.93Å; L800-L844 HydrophobicContact CB-CD1 4.24Å; L800-L844 HydrophobicContact CD2-CD1 3.83Å |
| 801 | Q | 90 | Very high | 88.5 | Confident | 90 Ų | 90 | 42.9 Ų | 42.9 | 42% | 0.421 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 173.3 | -73.6 | -178.6 | 18.1 | 0 | 0 | 112.5 | L797 D798 L799 F803 C804 K805 V840 | L797-Q801 WeakPolarHBondContact O-CG 3.16Å; L797-Q801 PolarHBondContact O-N 2.88Å; D798-Q801 WeakPolarHBondContact O-CB 3.37Å; D798-Q801 PolarHBondContact O-N 2.88Å; L799-Q801 VanDerWaalsContact C-N 3.26Å; L799-Q801 PolarHBondContact O-N 2.82Å; Q801-F803 VanDerWaalsContact C-N 3.34Å; Q801-C804 WeakPolarHBondContact O-CB 3.35Å; Q801-C804 PolarHBondContact O-N 2.74Å; Q801-K805 PolarHBondContact O-N 3.23Å; Q801-V840 HydrophobicContact CG-CB 4.3Å; Q801-V840 HydrophobicContact CG-CG1 3.76Å; Q801-V840 HydrophobicContact CG-CG2 3.5Å |
| 802 | L | 89.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 175 | -66.9 | 171.2 | 0 | 0 | 0 | 110.8 | C742 L746 M772 D798 L799 C804 K805 A806 | C742-L802 HydrophobicContact CB-CD1 3.81Å; C742-L802 HydrophobicContact CB-CD2 4.38Å; L746-L802 HydrophobicContact CD1-CD2 4.42Å; M772-L802 HydrophobicContact CB-CD1 4.39Å; M772-L802 HydrophobicContact CE-CD1 3.99Å; M772-L802 HydrophobicContact CG-CD1 4.16Å; D798-L802 WeakPolarHBondContact O-CG 3.12Å; D798-L802 PolarHBondContact O-N 2.79Å; L799-L802 PolarHBondContact O-N 2.85Å; L799-L802 VanDerWaalsContact O-N 3.11Å; L802-C804 PolarHBondContact O-N 3.37Å; L802-K805 PolarHBondContact O-N 3.26Å; L802-A806 PolarHBondContact O-N 2.86Å |
| 803 | F | 90.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 173.9 | -71.3 | -15.2 | 0 | 0 | 0 | 113.5 | L776 L799 L800 Q801 K805 A806 L807 I816 C819 L823 | L776-F803 HydrophobicContact CD1-CE1 3.44Å; L776-F803 VanDerWaalsContact CD1-CE1 3.44Å; L776-F803 HydrophobicContact CD1-CZ 3.53Å; L799-F803 HydrophobicContact CD1-CZ 4.37Å; L799-F803 HydrophobicContact CD2-CD2 4.5Å; L799-F803 HydrophobicContact CD2-CE1 4.35Å; L799-F803 HydrophobicContact CD2-CE2 3.57Å; L799-F803 HydrophobicContact CD2-CZ 3.48Å; L799-F803 VanDerWaalsContact CD2-CZ 3.48Å; L799-F803 HydrophobicContact CG-CD2 4.48Å; L799-F803 HydrophobicContact CG-CE1 4.1Å; L799-F803 HydrophobicContact CG-CE2 3.91Å; L799-F803 HydrophobicContact CG-CZ 3.7Å; L799-F803 WeakPolarHBondContact O-CG 3.5Å; L799-F803 PolarHBondContact O-N 2.75Å; L800-F803 HydrophobicContact CD2-CD2 4.37Å; Q801-F803 VanDerWaalsContact C-N 3.34Å; F803-K805 VanDerWaalsContact C-N 3.29Å; F803-K805 PolarHBondContact O-N 2.84Å; F803-A806 PolarHBondContact O-N 3.43Å; F803-L807 WeakPolarHBondContact O-CB 3.22Å; F803-L807 VanDerWaalsContact O-CG 3.3Å; F803-L807 WeakPolarHBondContact O-CG 3.3Å; F803-L807 PolarHBondContact O-N 3.41Å; F803-I816 HydrophobicContact CB-CG2 3.54Å; F803-I816 HydrophobicContact CD1-CG1 4.29Å; F803-I816 HydrophobicContact CD1-CG2 3.83Å; F803-I816 HydrophobicContact CD2-CG2 4.14Å; F803-I816 HydrophobicContact CG-CG2 3.59Å; F803-C819 HydrophobicContact CE2-CB 3.78Å; F803-C819 HydrophobicContact CZ-CB 3.86Å; F803-L823 HydrophobicContact CE2-CD1 4.06Å |
| 804 | C | 89.2 | Confident | 88.3 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55.2 | -48.2 | 174.4 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | L800 Q801 L802 L807 E808 L844 | L800-C804 PolarHBondContact O-N 3.17Å; L800-C804 VanDerWaalsContact O-N 3.11Å; L800-C804 PolarHBondContact O-SG 2.84Å; Q801-C804 WeakPolarHBondContact O-CB 3.35Å; Q801-C804 PolarHBondContact O-N 2.74Å; L802-C804 PolarHBondContact O-N 3.37Å; C804-L807 PolarHBondContact O-N 3.21Å; C804-E808 WeakPolarHBondContact O-CG 3.38Å; C804-E808 PolarHBondContact O-N 3.12Å; C804-E808 VanDerWaalsContact O-N 3.15Å; C804-L844 VanDerWaalsContact SG-CG 3.51Å |
| 805 | K | 88.4 | Confident | 88.3 | Confident | 69 Ų | 69 | 45.9 Ų | 45.9 | 30% | 0.3 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.5 | -40.9 | -176.5 | -59.7 | 179 | 177.5 | 176.4 | 0 | 111.5 | E769 Q801 L802 F803 L807 E808 R809 | E769-K805 HydrophobicContact CG-CB 3.72Å; E769-K805 HydrophobicContact CG-CD 4.18Å; E769-K805 WeakPolarHBondContact OE1-CB 3.16Å; E769-K805 WeakPolarHBondContact OE2-CB 3.41Å; E769-K805 VanDerWaalsContact OE2-O 3.11Å; Q801-K805 PolarHBondContact O-N 3.23Å; L802-K805 PolarHBondContact O-N 3.26Å; F803-K805 VanDerWaalsContact C-N 3.29Å; F803-K805 PolarHBondContact O-N 2.84Å; K805-L807 VanDerWaalsContact C-N 3.29Å; K805-L807 PolarHBondContact O-N 3.41Å; K805-E808 WeakPolarHBondContact O-CB 3.26Å; K805-E808 PolarHBondContact O-N 2.77Å; K805-E808 VanDerWaalsContact O-N 3.08Å; K805-R809 PolarHBondContact O-N 2.81Å |
| 806 | A | 88.3 | Confident | 88.2 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E769 V773 L802 F803 R809 N810 Y811 I816 | E769-A806 HydrophobicContact CB-CB 4.15Å; E769-A806 PolarHBondContact OE2-N 2.97Å; V773-A806 HydrophobicContact CG2-CB 4.2Å; L802-A806 PolarHBondContact O-N 2.86Å; F803-A806 PolarHBondContact O-N 3.43Å; A806-R809 PolarHBondContact O-N 2.81Å; A806-N810 PolarHBondContact O-N 3.39Å; A806-Y811 PolarHBondContact O-N 2.71Å; A806-I816 HydrophobicContact CB-CD1 3.56Å |
| 807 | L | 88.4 | Confident | 88.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 174.1 | -75.6 | 167.6 | 0 | 0 | 0 | 112.6 | F803 C804 K805 R809 N810 I813 I816 M817 L844 I847 K851 | F803-L807 WeakPolarHBondContact O-CB 3.22Å; F803-L807 VanDerWaalsContact O-CG 3.3Å; F803-L807 WeakPolarHBondContact O-CG 3.3Å; F803-L807 PolarHBondContact O-N 3.41Å; C804-L807 PolarHBondContact O-N 3.21Å; K805-L807 VanDerWaalsContact C-N 3.29Å; K805-L807 PolarHBondContact O-N 3.41Å; L807-R809 PolarHBondContact O-N 3.45Å; L807-N810 PolarHBondContact O-N 3.27Å; L807-I813 HydrophobicContact CD2-CB 4.44Å; L807-I813 HydrophobicContact CD2-CG2 3.96Å; L807-I816 HydrophobicContact CD1-CG2 3.96Å; L807-I816 HydrophobicContact CD2-CB 4.33Å; L807-I816 HydrophobicContact CD2-CG2 4.13Å; L807-I816 HydrophobicContact CG-CB 4.47Å; L807-I816 HydrophobicContact CG-CG2 3.8Å; L807-M817 HydrophobicContact CD1-SD 4.37Å; L807-M817 HydrophobicContact CD2-CG 4.42Å; L807-M817 HydrophobicContact CD2-SD 4.39Å; L807-L844 HydrophobicContact CD1-CD2 3.95Å; L807-I847 HydrophobicContact CB-CG2 3.69Å; L807-I847 HydrophobicContact CD1-CG2 4.47Å; L807-K851 WeakPolarHBondContact O-CE 3.21Å; L807-K851 PolarHBondContact O-NZ 3.07Å |
| 808 | E | 88.9 | Confident | 88 | Confident | 110 Ų | 110 | 49.2 Ų | 49.2 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.8 | -35.5 | 174.5 | -72 | 171.9 | 179.5 | 0 | 0 | 111.1 | C804 K805 I847 K851 | C804-E808 WeakPolarHBondContact O-CG 3.38Å; C804-E808 PolarHBondContact O-N 3.12Å; C804-E808 VanDerWaalsContact O-N 3.15Å; K805-E808 WeakPolarHBondContact O-CB 3.26Å; K805-E808 PolarHBondContact O-N 2.77Å; K805-E808 VanDerWaalsContact O-N 3.08Å; E808-I847 HydrophobicContact CG-CD1 3.78Å; E808-I847 HydrophobicContact CG-CG1 4.49Å; E808-I847 WeakPolarHBondContact OE1-CD1 3.28Å; E808-K851 PolarHBondContact O-NZ 2.93Å |
| 809 | R | 86 | Confident | 88.1 | Confident | 135 Ų | 135 | 47.5 Ų | 47.5 | 51% | 0.509 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1.1 | 179 | -61.4 | -171 | -164.4 | -134.5 | 5.5 | 116 | P767 E769 K805 A806 L807 Y811 | P767-R809 VanDerWaalsContact CB-CZ 3.45Å; P767-R809 VanDerWaalsContact CB-NH1 3.27Å; E769-R809 VanDerWaalsContact CD-NE 3.28Å; E769-R809 IonicContact OE1-CZ 3.84Å; E769-R809 IonicContact OE1-NE 3.65Å; E769-R809 PolarHBondContact OE1-NE 2.74Å; E769-R809 IonicContact OE1-NH2 2.89Å; E769-R809 PolarHBondContact OE1-NH2 3.04Å; E769-R809 WeakPolarHBondContact OE2-CD 3.25Å; E769-R809 IonicContact OE2-CZ 3.85Å; E769-R809 IonicContact OE2-NE 3.79Å; E769-R809 PolarHBondContact OE2-NE 3.47Å; E769-R809 IonicContact OE2-NH2 3.34Å; K805-R809 PolarHBondContact O-N 2.81Å; A806-R809 PolarHBondContact O-N 2.81Å; L807-R809 PolarHBondContact O-N 3.45Å; R809-Y811 VanDerWaalsContact C-N 3.31Å; R809-Y811 PolarHBondContact O-N 3.38Å |
| 810 | N | 84.6 | Confident | 87.9 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 33 | -174.9 | -67.1 | -27.1 | 0 | 0 | 0 | 114.6 | A806 L807 I813 K851 | A806-N810 PolarHBondContact O-N 3.39Å; L807-N810 PolarHBondContact O-N 3.27Å; N810-I813 HydrophobicContact CB-CD1 4.5Å; N810-K851 VanDerWaalsContact OD1-CD 3.23Å; N810-K851 WeakPolarHBondContact OD1-CD 3.44Å; N810-K851 WeakPolarHBondContact OD1-CE 3.47Å; N810-K851 PolarHBondContact OD1-NZ 3.13Å |
| 811 | Y | 84.3 | Confident | 87.8 | Confident | 84 Ų | 84 | 50.6 Ų | 50.6 | 33% | 0.329 | 24% | 0.24 | S | C | . | . | trans | -92.7 | 128.1 | 176.1 | -149.2 | -105.2 | 0 | 0 | 0 | 110.2 | C770 V773 A806 R809 I813 I816 | C770-Y811 HydrophobicContact CB-CD1 4.23Å; C770-Y811 HydrophobicContact CB-CE1 4.01Å; V773-Y811 HydrophobicContact CB-CD1 4.21Å; V773-Y811 HydrophobicContact CB-CE1 4.47Å; V773-Y811 HydrophobicContact CG1-CD1 3.99Å; V773-Y811 HydrophobicContact CG1-CE1 4.24Å; A806-Y811 PolarHBondContact O-N 2.71Å; R809-Y811 VanDerWaalsContact C-N 3.31Å; R809-Y811 PolarHBondContact O-N 3.38Å; Y811-I813 PolarHBondContact O-N 3.21Å; Y811-I816 WeakPolarHBondContact O-CD1 3.44Å | ||
| 812 | E | 84.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 27% | 0.271 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 30.9 | 63.8 | 177.9 | -60.9 | -164.4 | 172 | 0 | 0 | 115.7 | V773 R777 E814 M815 I816 | V773-E812 HydrophobicContact CG1-CB 3.99Å; V773-E812 HydrophobicContact CG1-CG 4.31Å; R777-E812 WeakPolarHBondContact CD-OE1 3.31Å; R777-E812 IonicContact CZ-OE1 3.04Å; R777-E812 IonicContact NE-OE1 3.65Å; R777-E812 IonicContact NH1-OE1 3.15Å; R777-E812 PolarHBondContact NH1-OE1 2.69Å; E812-E814 PolarHBondContact O-N 3.18Å; E812-M815 PolarHBondContact O-N 2.85Å; E812-I816 WeakPolarHBondContact O-CG1 3.35Å; E812-I816 PolarHBondContact O-N 2.74Å |
| 813 | I | 87.6 | Confident | 87.6 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 17% | 0.169 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | -171.8 | -58.7 | 168 | 0 | 0 | 0 | 111.9 | L807 N810 Y811 M815 I816 M817 K851 | L807-I813 HydrophobicContact CD2-CB 4.44Å; L807-I813 HydrophobicContact CD2-CG2 3.96Å; N810-I813 HydrophobicContact CB-CD1 4.5Å; Y811-I813 PolarHBondContact O-N 3.21Å; I813-M815 PolarHBondContact O-N 2.97Å; I813-I816 PolarHBondContact O-N 3.16Å; I813-M817 HydrophobicContact CG2-CG 4.04Å; I813-M817 VanDerWaalsContact O-CB 3.3Å; I813-M817 WeakPolarHBondContact O-CB 3.32Å; I813-M817 WeakPolarHBondContact O-CG 3.23Å; I813-M817 PolarHBondContact O-N 3.43Å; I813-K851 HydrophobicContact CD1-CB 4.44Å; I813-K851 HydrophobicContact CG2-CB 4.09Å |
| 814 | E | 85 | Confident | 87.6 | Confident | 148 Ų | 148 | 48.8 Ų | 48.8 | 69% | 0.692 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.6 | -44.9 | -174.1 | -63.7 | -178.6 | 172.6 | 0 | 0 | 112.4 | E812 M817 R818 | E812-E814 PolarHBondContact O-N 3.18Å; E814-M817 PolarHBondContact O-N 2.99Å; E814-R818 WeakPolarHBondContact O-CB 3.09Å; E814-R818 PolarHBondContact O-N 3.45Å |
| 815 | M | 86.8 | Confident | 87.4 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | -179.9 | -171.9 | 168.3 | -164.9 | 0 | 0 | 111.3 | L776 R777 L784 E812 I813 M817 R818 C819 | L776-M815 HydrophobicContact CB-CE 4.11Å; L776-M815 WeakPolarHBondContact O-CE 3.29Å; R777-M815 HydrophobicContact CB-SD 4.49Å; L784-M815 HydrophobicContact CD1-CE 4.14Å; L784-M815 HydrophobicContact CD2-CE 3.58Å; E812-M815 PolarHBondContact O-N 2.85Å; I813-M815 PolarHBondContact O-N 2.97Å; M815-M817 VanDerWaalsContact C-N 3.32Å; M815-M817 PolarHBondContact O-N 3.49Å; M815-R818 PolarHBondContact O-N 2.86Å; M815-C819 WeakPolarHBondContact O-CB 3.39Å; M815-C819 PolarHBondContact O-N 2.98Å; M815-C819 PolarHBondContact O-SG 3.5Å |
| 816 | I | 90 | Very high | 87.2 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 177.9 | -62.9 | 170.3 | 0 | 0 | 0 | 110.8 | V773 F803 A806 L807 Y811 E812 I813 C819 S820 | V773-I816 HydrophobicContact CG2-CD1 3.84Å; V773-I816 HydrophobicContact CG2-CG1 4.11Å; F803-I816 HydrophobicContact CB-CG2 3.54Å; F803-I816 HydrophobicContact CD1-CG1 4.29Å; F803-I816 HydrophobicContact CD1-CG2 3.83Å; F803-I816 HydrophobicContact CD2-CG2 4.14Å; F803-I816 HydrophobicContact CG-CG2 3.59Å; A806-I816 HydrophobicContact CB-CD1 3.56Å; L807-I816 HydrophobicContact CD1-CG2 3.96Å; L807-I816 HydrophobicContact CD2-CB 4.33Å; L807-I816 HydrophobicContact CD2-CG2 4.13Å; L807-I816 HydrophobicContact CG-CB 4.47Å; L807-I816 HydrophobicContact CG-CG2 3.8Å; Y811-I816 WeakPolarHBondContact O-CD1 3.44Å; E812-I816 WeakPolarHBondContact O-CG1 3.35Å; E812-I816 PolarHBondContact O-N 2.74Å; I813-I816 PolarHBondContact O-N 3.16Å; I816-C819 PolarHBondContact O-N 3.27Å; I816-S820 WeakPolarHBondContact O-CB 3.37Å; I816-S820 PolarHBondContact O-N 3.44Å; I816-S820 PolarHBondContact O-OG 3.09Å |
| 817 | M | 87.9 | Confident | 87 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 16% | 0.163 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 176.5 | -75.1 | -59.4 | -68.3 | 0 | 0 | 111.6 | L807 I813 E814 M815 S820 A821 C848 L852 | L807-M817 HydrophobicContact CD1-SD 4.37Å; L807-M817 HydrophobicContact CD2-CG 4.42Å; L807-M817 HydrophobicContact CD2-SD 4.39Å; I813-M817 HydrophobicContact CG2-CG 4.04Å; I813-M817 VanDerWaalsContact O-CB 3.3Å; I813-M817 WeakPolarHBondContact O-CB 3.32Å; I813-M817 WeakPolarHBondContact O-CG 3.23Å; I813-M817 PolarHBondContact O-N 3.43Å; E814-M817 PolarHBondContact O-N 2.99Å; M815-M817 VanDerWaalsContact C-N 3.32Å; M815-M817 PolarHBondContact O-N 3.49Å; M817-S820 WeakPolarHBondContact CA-OG 3.42Å; M817-S820 PolarHBondContact O-OG 3.01Å; M817-S820 VanDerWaalsContact O-OG 3.06Å; M817-A821 VanDerWaalsContact O-CB 3.26Å; M817-A821 WeakPolarHBondContact O-CB 3.33Å; M817-A821 PolarHBondContact O-N 3.15Å; M817-C848 HydrophobicContact CE-CB 3.48Å; M817-C848 VanDerWaalsContact CE-CB 3.48Å; M817-C848 HydrophobicContact SD-CB 3.61Å; M817-C848 PolarHBondContact SD-SG 2.82Å; M817-L852 HydrophobicContact CE-CD1 3.39Å; M817-L852 HydrophobicContact CG-CD1 4.4Å |
| 818 | R | 86 | Confident | 86.9 | Confident | 86 Ų | 86 | 61 Ų | 61 | 33% | 0.325 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -51 | 175.2 | -174.9 | 178.7 | -178.3 | 164.2 | 3.5 | 111.5 | S134 E785 E814 M815 S820 A821 F822 | S134-R818 PolarHBondContact O-NH1 3.46Å; E785-R818 IonicContact OE1-CZ 2.64Å; E785-R818 IonicContact OE1-NE 3.88Å; E785-R818 PolarHBondContact OE1-NE 2.84Å; E785-R818 IonicContact OE1-NH2 2.75Å; E785-R818 PolarHBondContact OE1-NH2 3.4Å; E814-R818 WeakPolarHBondContact O-CB 3.09Å; E814-R818 PolarHBondContact O-N 3.45Å; M815-R818 PolarHBondContact O-N 2.86Å; R818-S820 PolarHBondContact O-N 3.45Å; R818-A821 PolarHBondContact O-N 2.73Å; R818-F822 VanDerWaalsContact O-CB 3.25Å; R818-F822 WeakPolarHBondContact O-CB 3.48Å; R818-F822 PolarHBondContact O-N 2.78Å |
| 819 | C | 90 | Very high | 86.7 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | -178.9 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | L788 F803 M815 I816 F822 L823 | L788-C819 HydrophobicContact CD1-CB 4.01Å; F803-C819 HydrophobicContact CE2-CB 3.78Å; F803-C819 HydrophobicContact CZ-CB 3.86Å; M815-C819 WeakPolarHBondContact O-CB 3.39Å; M815-C819 PolarHBondContact O-N 2.98Å; M815-C819 PolarHBondContact O-SG 3.5Å; I816-C819 PolarHBondContact O-N 3.27Å; C819-F822 PolarHBondContact O-N 2.94Å; C819-L823 WeakPolarHBondContact O-CB 3.36Å; C819-L823 WeakPolarHBondContact O-CG 2.97Å; C819-L823 PolarHBondContact O-N 2.73Å |
| 820 | S | 89.7 | Confident | 86.6 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.9 | -44.3 | 179.3 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | I816 M817 R818 F822 L823 I824 | I816-S820 WeakPolarHBondContact O-CB 3.37Å; I816-S820 PolarHBondContact O-N 3.44Å; I816-S820 PolarHBondContact O-OG 3.09Å; M817-S820 WeakPolarHBondContact CA-OG 3.42Å; M817-S820 PolarHBondContact O-OG 3.01Å; M817-S820 VanDerWaalsContact O-OG 3.06Å; R818-S820 PolarHBondContact O-N 3.45Å; S820-F822 VanDerWaalsContact C-N 3.3Å; S820-F822 PolarHBondContact O-N 2.82Å; S820-L823 PolarHBondContact O-N 3.07Å; S820-I824 WeakPolarHBondContact O-CB 3.3Å; S820-I824 WeakPolarHBondContact O-CD1 3.49Å; S820-I824 WeakPolarHBondContact O-CG1 3.24Å; S820-I824 PolarHBondContact O-N 3.05Å |
| 821 | A | 88.1 | Confident | 86.7 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 51% | 0.512 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M817 R818 R825 | M817-A821 VanDerWaalsContact O-CB 3.26Å; M817-A821 WeakPolarHBondContact O-CB 3.33Å; M817-A821 PolarHBondContact O-N 3.15Å; R818-A821 PolarHBondContact O-N 2.73Å; A821-R825 WeakPolarHBondContact O-CB 3.47Å; A821-R825 PolarHBondContact O-N 3.1Å |
| 822 | F | 86.9 | Confident | 86.7 | Confident | 10 Ų | 10 | 56 Ų | 56 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -49.6 | 179 | -177.8 | -99 | 0 | 0 | 0 | 112.7 | L720 E785 L788 I789 R818 C819 S820 I824 R825 I826 | L720-F822 HydrophobicContact CD2-CE2 3.98Å; L720-F822 HydrophobicContact CD2-CZ 4.23Å; E785-F822 HydrophobicContact CB-CD2 4.5Å; E785-F822 HydrophobicContact CB-CE1 4.03Å; E785-F822 HydrophobicContact CB-CE2 3.77Å; E785-F822 HydrophobicContact CB-CZ 3.49Å; E785-F822 VanDerWaalsContact CB-CZ 3.49Å; E785-F822 HydrophobicContact CG-CD2 4.06Å; E785-F822 HydrophobicContact CG-CE1 4.4Å; E785-F822 HydrophobicContact CG-CE2 3.78Å; E785-F822 HydrophobicContact CG-CG 4.48Å; E785-F822 HydrophobicContact CG-CZ 3.96Å; E785-F822 WeakPolarHBondContact O-CE1 3.33Å; E785-F822 WeakPolarHBondContact O-CZ 3.44Å; L788-F822 HydrophobicContact CB-CD1 4.09Å; L788-F822 HydrophobicContact CB-CE1 3.93Å; L788-F822 HydrophobicContact CD1-CD1 4Å; I789-F822 HydrophobicContact CD1-CE1 4.44Å; I789-F822 HydrophobicContact CD1-CZ 3.88Å; I789-F822 HydrophobicContact CG1-CE1 3.95Å; I789-F822 HydrophobicContact CG1-CZ 3.88Å; R818-F822 VanDerWaalsContact O-CB 3.25Å; R818-F822 WeakPolarHBondContact O-CB 3.48Å; R818-F822 PolarHBondContact O-N 2.78Å; C819-F822 PolarHBondContact O-N 2.94Å; S820-F822 VanDerWaalsContact C-N 3.3Å; S820-F822 PolarHBondContact O-N 2.82Å; F822-I824 VanDerWaalsContact C-N 3.35Å; F822-I824 PolarHBondContact O-N 3.45Å; F822-R825 WeakPolarHBondContact O-CB 3.36Å; F822-R825 PolarHBondContact O-N 3.3Å; F822-R825 VanDerWaalsContact O-N 3.16Å; F822-I826 HydrophobicContact CD1-CD1 3.59Å; F822-I826 HydrophobicContact CD2-CD1 4.21Å; F822-I826 HydrophobicContact CE1-CD1 3.07Å; F822-I826 HydrophobicContact CE1-CG1 4.5Å; F822-I826 HydrophobicContact CE2-CD1 3.79Å; F822-I826 HydrophobicContact CG-CD1 4.13Å; F822-I826 HydrophobicContact CZ-CD1 3.19Å; F822-I826 HydrophobicContact CZ-CG1 4.45Å; F822-I826 PolarHBondContact O-N 3.34Å; F822-I826 VanDerWaalsContact O-N 3.08Å |
| 823 | L | 89.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.7 | -74.9 | 168.2 | 0 | 0 | 0 | 112.3 | L788 V796 L799 F803 C819 S820 R825 I826 H827 | L788-L823 HydrophobicContact CB-CD2 4.07Å; L788-L823 HydrophobicContact CD2-CD1 4.31Å; L788-L823 HydrophobicContact CD2-CD2 4.37Å; V796-L823 HydrophobicContact CG1-CB 4.18Å; V796-L823 HydrophobicContact CG1-CD1 4.46Å; V796-L823 HydrophobicContact CG1-CD2 4.12Å; V796-L823 HydrophobicContact CG2-CD2 4.1Å; L799-L823 HydrophobicContact CD2-CD1 3.47Å; L799-L823 VanDerWaalsContact CD2-CD1 3.47Å; F803-L823 HydrophobicContact CE2-CD1 4.06Å; C819-L823 WeakPolarHBondContact O-CB 3.36Å; C819-L823 WeakPolarHBondContact O-CG 2.97Å; C819-L823 PolarHBondContact O-N 2.73Å; S820-L823 PolarHBondContact O-N 3.07Å; L823-R825 VanDerWaalsContact C-N 3.3Å; L823-R825 PolarHBondContact O-N 3.08Å; L823-I826 PolarHBondContact O-N 3.34Å; L823-H827 WeakPolarHBondContact O-CB 3.3Å; L823-H827 PolarHBondContact O-CD2 3.43Å; L823-H827 PolarHBondContact O-N 2.9Å |
| 824 | I | 88.9 | Confident | 86.8 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 176.2 | -69 | 167.8 | 0 | 0 | 0 | 110.6 | L800 S820 F822 Y828 L831 L844 | L800-I824 HydrophobicContact CD2-CG1 4.33Å; S820-I824 WeakPolarHBondContact O-CB 3.3Å; S820-I824 WeakPolarHBondContact O-CD1 3.49Å; S820-I824 WeakPolarHBondContact O-CG1 3.24Å; S820-I824 PolarHBondContact O-N 3.05Å; F822-I824 VanDerWaalsContact C-N 3.35Å; F822-I824 PolarHBondContact O-N 3.45Å; I824-Y828 VanDerWaalsContact O-CA 3.31Å; I824-Y828 WeakPolarHBondContact O-CA 3.26Å; I824-Y828 WeakPolarHBondContact O-CB 3.26Å; I824-Y828 PolarHBondContact O-N 3.16Å; I824-Y828 VanDerWaalsContact O-N 3.08Å; I824-L831 HydrophobicContact CB-CD1 4.39Å; I824-L831 HydrophobicContact CG1-CD1 4.19Å; I824-L844 HydrophobicContact CD1-CD1 4.42Å |
| 825 | R | 85.9 | Confident | 86.9 | Confident | 157 Ų | 157 | 58.4 Ų | 58.4 | 59% | 0.592 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | 178.6 | -172.6 | 176.9 | 71.2 | 165.7 | 0.9 | 111.8 | A821 F822 L823 | A821-R825 WeakPolarHBondContact O-CB 3.47Å; A821-R825 PolarHBondContact O-N 3.1Å; F822-R825 WeakPolarHBondContact O-CB 3.36Å; F822-R825 PolarHBondContact O-N 3.3Å; F822-R825 VanDerWaalsContact O-N 3.16Å; L823-R825 VanDerWaalsContact C-N 3.3Å; L823-R825 PolarHBondContact O-N 3.08Å |
| 826 | I | 83.4 | Confident | 86.9 | Confident | 22 Ų | 22 | 65.4 Ų | 65.4 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.3 | -49.6 | -178 | -70.7 | 155.7 | 0 | 0 | 0 | 111.4 | I789 F822 L823 Y828 | I789-I826 HydrophobicContact CD1-CD1 4.14Å; I789-I826 HydrophobicContact CG1-CD1 3.45Å; I789-I826 VanDerWaalsContact CG1-CD1 3.45Å; I789-I826 HydrophobicContact CG1-CG1 4.49Å; F822-I826 HydrophobicContact CD1-CD1 3.59Å; F822-I826 HydrophobicContact CD2-CD1 4.21Å; F822-I826 HydrophobicContact CE1-CD1 3.07Å; F822-I826 HydrophobicContact CE1-CG1 4.5Å; F822-I826 HydrophobicContact CE2-CD1 3.79Å; F822-I826 HydrophobicContact CG-CD1 4.13Å; F822-I826 HydrophobicContact CZ-CD1 3.19Å; F822-I826 HydrophobicContact CZ-CG1 4.45Å; F822-I826 PolarHBondContact O-N 3.34Å; F822-I826 VanDerWaalsContact O-N 3.08Å; L823-I826 PolarHBondContact O-N 3.34Å; I826-Y828 PolarHBondContact O-N 3.16Å |
| 827 | H | 85.7 | Confident | 86.6 | Confident | 14 Ų | 14 | 65.4 Ų | 65.4 | 7% | 0.065 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 18.2 | -176.5 | -63.5 | -81.6 | 0 | 0 | 0 | 112.8 | L823 C829 Q830 L831 | L823-H827 WeakPolarHBondContact O-CB 3.3Å; L823-H827 PolarHBondContact O-CD2 3.43Å; L823-H827 PolarHBondContact O-N 2.9Å; H827-C829 VanDerWaalsContact C-N 3.3Å; H827-C829 PolarHBondContact O-N 3.15Å; H827-Q830 PolarHBondContact ND1-OE1 2.67Å; H827-Q830 PolarHBondContact O-N 2.96Å; H827-L831 HydrophobicContact CB-CD1 4.08Å; H827-L831 HydrophobicContact CB-CG 4.06Å; H827-L831 WeakPolarHBondContact O-CB 3.4Å; H827-L831 WeakPolarHBondContact O-CG 3.39Å; H827-L831 PolarHBondContact O-N 3.11Å |
| 828 | Y | 86.2 | Confident | 86.6 | Confident | 136 Ų | 136 | 67.5 Ų | 67.5 | 53% | 0.533 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -49.9 | -49.7 | -176.2 | 176.3 | -100.1 | 0 | 0 | 0 | 112.3 | I824 I826 Q830 L831 M832 | I824-Y828 VanDerWaalsContact O-CA 3.31Å; I824-Y828 WeakPolarHBondContact O-CA 3.26Å; I824-Y828 WeakPolarHBondContact O-CB 3.26Å; I824-Y828 PolarHBondContact O-N 3.16Å; I824-Y828 VanDerWaalsContact O-N 3.08Å; I826-Y828 PolarHBondContact O-N 3.16Å; Y828-Q830 VanDerWaalsContact C-N 3.33Å; Y828-Q830 PolarHBondContact O-N 3.4Å; Y828-L831 PolarHBondContact O-N 2.8Å; Y828-M832 HydrophobicContact CE1-CE 4.38Å; Y828-M832 HydrophobicContact CE1-SD 4.16Å; Y828-M832 WeakPolarHBondContact O-CB 3.5Å; Y828-M832 PolarHBondContact O-N 2.99Å |
| 829 | C | 84 | Confident | 86.8 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 52% | 0.52 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | -179.1 | -63.7 | 0 | 0 | 0 | 0 | 112.6 | H827 N833 | H827-C829 VanDerWaalsContact C-N 3.3Å; H827-C829 PolarHBondContact O-N 3.15Å; C829-N833 PolarHBondContact O-ND2 2.81Å |
| 830 | Q | 84 | Confident | 86.7 | Confident | 92 Ų | 92 | 66.9 Ų | 66.9 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -77.2 | -41.6 | -179.5 | -69.1 | 176.4 | -13.4 | 0 | 0 | 111.7 | H827 Y828 M832 N833 S834 | H827-Q830 PolarHBondContact ND1-OE1 2.67Å; H827-Q830 PolarHBondContact O-N 2.96Å; Y828-Q830 VanDerWaalsContact C-N 3.33Å; Y828-Q830 PolarHBondContact O-N 3.4Å; Q830-M832 VanDerWaalsContact C-N 3.32Å; Q830-M832 PolarHBondContact O-N 2.89Å; Q830-N833 PolarHBondContact O-N 3.12Å; Q830-S834 PolarHBondContact O-N 3.07Å; Q830-S834 VanDerWaalsContact O-N 3.16Å |
| 831 | L | 85.9 | Confident | 86.6 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.1 | -37.4 | 177 | -70.3 | 170.2 | 0 | 0 | 0 | 111.5 | L797 L800 I824 H827 Y828 N833 S834 A837 | L797-L831 HydrophobicContact CD2-CD2 3.54Å; L800-L831 HydrophobicContact CD1-CD1 4.47Å; L800-L831 HydrophobicContact CD1-CD2 4.25Å; I824-L831 HydrophobicContact CB-CD1 4.39Å; I824-L831 HydrophobicContact CG1-CD1 4.19Å; H827-L831 HydrophobicContact CB-CD1 4.08Å; H827-L831 HydrophobicContact CB-CG 4.06Å; H827-L831 WeakPolarHBondContact O-CB 3.4Å; H827-L831 WeakPolarHBondContact O-CG 3.39Å; H827-L831 PolarHBondContact O-N 3.11Å; Y828-L831 PolarHBondContact O-N 2.8Å; L831-N833 VanDerWaalsContact C-N 3.27Å; L831-N833 PolarHBondContact O-N 3.07Å; L831-S834 PolarHBondContact O-N 2.92Å; L831-A837 HydrophobicContact CB-CB 4.49Å; L831-A837 HydrophobicContact CD2-CB 3.85Å |
| 832 | M | 85.5 | Confident | 86.7 | Confident | 121 Ų | 121 | 71.7 Ų | 71.7 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.7 | -32 | 177.6 | -168.5 | 168.7 | 67.3 | 0 | 0 | 112.7 | Y828 Q830 | Y828-M832 HydrophobicContact CE1-CE 4.38Å; Y828-M832 HydrophobicContact CE1-SD 4.16Å; Y828-M832 WeakPolarHBondContact O-CB 3.5Å; Y828-M832 PolarHBondContact O-N 2.99Å; Q830-M832 VanDerWaalsContact C-N 3.32Å; Q830-M832 PolarHBondContact O-N 2.89Å |
| 833 | N | 86.8 | Confident | 86.8 | Confident | 134 Ų | 134 | 78.4 Ų | 78.4 | 72% | 0.717 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -85.3 | -17.7 | 178.5 | -68.1 | -21 | 0 | 0 | 0 | 113.2 | C829 Q830 L831 | C829-N833 PolarHBondContact O-ND2 2.81Å; Q830-N833 PolarHBondContact O-N 3.12Å; L831-N833 VanDerWaalsContact C-N 3.27Å; L831-N833 PolarHBondContact O-N 3.07Å |
| 834 | S | 86.5 | Confident | 86.8 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | trans | -89.2 | 114.2 | -176.3 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | Q830 L831 R836 A837 | Q830-S834 PolarHBondContact O-N 3.07Å; Q830-S834 VanDerWaalsContact O-N 3.16Å; L831-S834 PolarHBondContact O-N 2.92Å; S834-R836 PolarHBondContact O-N 2.86Å; S834-A837 WeakPolarHBondContact O-CB 3.5Å; S834-A837 PolarHBondContact O-N 2.95Å; S834-A837 VanDerWaalsContact O-N 3.16Å | ||
| 835 | T | 87.5 | Confident | 86.8 | Confident | 122 Ų | 122 | 80.2 Ų | 80.2 | 75% | 0.748 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.6 | 175.7 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | A837 | T835-A837 VanDerWaalsContact C-N 3.29Å; T835-A837 PolarHBondContact O-N 2.89Å |
| 836 | R | 86.1 | Confident | 87 | Confident | 191 Ų | 191 | 80.3 Ų | 80.3 | 72% | 0.721 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.3 | 176.2 | -65.1 | 179.1 | 86.7 | -177.8 | 4 | 112.5 | S834 P839 | S834-R836 PolarHBondContact O-N 2.86Å; R836-P839 WeakPolarHBondContact O-CD 3.27Å |
| 837 | A | 85.1 | Confident | 87.4 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 2% | 0.017 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.2 | -33.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L797 L831 S834 T835 V840 V841 | L797-A837 HydrophobicContact CD2-CB 3.64Å; L831-A837 HydrophobicContact CB-CB 4.49Å; L831-A837 HydrophobicContact CD2-CB 3.85Å; S834-A837 WeakPolarHBondContact O-CB 3.5Å; S834-A837 PolarHBondContact O-N 2.95Å; S834-A837 VanDerWaalsContact O-N 3.16Å; T835-A837 VanDerWaalsContact C-N 3.29Å; T835-A837 PolarHBondContact O-N 2.89Å; A837-V840 WeakPolarHBondContact O-CB 3.06Å; A837-V840 PolarHBondContact O-N 2.92Å; A837-V841 WeakPolarHBondContact O-CG2 3.36Å; A837-V841 PolarHBondContact O-N 3.07Å |
| 838 | V | 87.3 | Confident | 87.5 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 47% | 0.473 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -49.8 | -52.8 | -174.6 | -179.2 | 0 | 0 | 0 | 0 | 113.8 | V840 V841 Q842 | V838-V840 VanDerWaalsContact C-N 3.31Å; V838-V840 PolarHBondContact O-N 2.93Å; V838-V841 PolarHBondContact O-N 2.8Å; V838-Q842 WeakPolarHBondContact O-CB 3.25Å; V838-Q842 WeakPolarHBondContact O-CG 3.49Å; V838-Q842 PolarHBondContact O-N 3.23Å |
| 839 | P | 90.2 | Very high | 87.7 | Confident | 66 Ų | 66 | 77.6 Ų | 77.6 | 43% | 0.429 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.8 | -30.3 | -179.5 | 24.3 | -34 | 0 | 0 | 0 | 113.5 | R836 R843 | R836-P839 WeakPolarHBondContact O-CD 3.27Å; P839-R843 PolarHBondContact O-N 2.79Å |
| 840 | V | 87.5 | Confident | 88.1 | Confident | 8 Ų | 8 | 79.5 Ų | 79.5 | 5% | 0.048 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71.7 | -47.5 | 178.6 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | L800 Q801 A837 V838 Q842 R843 L844 | L800-V840 HydrophobicContact CB-CG1 3.93Å; Q801-V840 HydrophobicContact CG-CB 4.3Å; Q801-V840 HydrophobicContact CG-CG1 3.76Å; Q801-V840 HydrophobicContact CG-CG2 3.5Å; A837-V840 WeakPolarHBondContact O-CB 3.06Å; A837-V840 PolarHBondContact O-N 2.92Å; V838-V840 VanDerWaalsContact C-N 3.31Å; V838-V840 PolarHBondContact O-N 2.93Å; V840-Q842 VanDerWaalsContact C-N 3.33Å; V840-Q842 PolarHBondContact O-N 2.78Å; V840-R843 WeakPolarHBondContact O-CB 3.22Å; V840-R843 PolarHBondContact O-N 2.87Å; V840-R843 VanDerWaalsContact O-N 3.12Å; V840-L844 HydrophobicContact CG1-CD1 4.45Å; V840-L844 PolarHBondContact O-N 2.83Å |
| 841 | V | 87.7 | Confident | 88.4 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | A837 V838 R843 L844 C845 | A837-V841 WeakPolarHBondContact O-CG2 3.36Å; A837-V841 PolarHBondContact O-N 3.07Å; V838-V841 PolarHBondContact O-N 2.8Å; V841-R843 VanDerWaalsContact C-N 3.3Å; V841-R843 PolarHBondContact O-N 2.77Å; V841-L844 PolarHBondContact O-N 2.85Å; V841-C845 WeakPolarHBondContact O-CB 2.87Å; V841-C845 PolarHBondContact O-N 2.95Å; V841-C845 PolarHBondContact O-SG 2.95Å; V841-C845 VanDerWaalsContact O-SG 3.36Å |
| 842 | Q | 90.2 | Very high | 88.4 | Confident | 124 Ų | 124 | 79.8 Ų | 79.8 | 58% | 0.579 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.9 | -34.5 | 174.7 | -79.5 | -176.3 | -8.3 | 0 | 0 | 113.3 | V838 V840 K846 | V838-Q842 WeakPolarHBondContact O-CB 3.25Å; V838-Q842 WeakPolarHBondContact O-CG 3.49Å; V838-Q842 PolarHBondContact O-N 3.23Å; V840-Q842 VanDerWaalsContact C-N 3.33Å; V840-Q842 PolarHBondContact O-N 2.78Å; Q842-K846 PolarHBondContact O-N 2.92Å |
| 843 | R | 90 | Very high | 88.7 | Confident | 150 Ų | 150 | 75.9 Ų | 75.9 | 57% | 0.566 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69 | -47 | 172.9 | -77.6 | -176.2 | -158.9 | 176.4 | 5.6 | 111.4 | P839 V840 V841 C845 K846 I847 | P839-R843 PolarHBondContact O-N 2.79Å; V840-R843 WeakPolarHBondContact O-CB 3.22Å; V840-R843 PolarHBondContact O-N 2.87Å; V840-R843 VanDerWaalsContact O-N 3.12Å; V841-R843 VanDerWaalsContact C-N 3.3Å; V841-R843 PolarHBondContact O-N 2.77Å; R843-C845 VanDerWaalsContact C-N 3.34Å; R843-C845 PolarHBondContact O-N 3.18Å; R843-K846 PolarHBondContact O-N 2.81Å; R843-K846 VanDerWaalsContact O-N 3.1Å; R843-I847 HydrophobicContact CB-CD1 4.45Å; R843-I847 WeakPolarHBondContact O-CG1 3.43Å; R843-I847 PolarHBondContact O-N 3.39Å |
| 844 | L | 88.8 | Confident | 88.9 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.8 | -48.9 | 175.4 | -77.9 | 163.8 | 0 | 0 | 0 | 111.1 | L800 C804 L807 I824 V840 V841 K846 I847 C848 | L800-L844 HydrophobicContact CB-CD1 4.24Å; L800-L844 HydrophobicContact CD2-CD1 3.83Å; C804-L844 VanDerWaalsContact SG-CG 3.51Å; L807-L844 HydrophobicContact CD1-CD2 3.95Å; I824-L844 HydrophobicContact CD1-CD1 4.42Å; V840-L844 HydrophobicContact CG1-CD1 4.45Å; V840-L844 PolarHBondContact O-N 2.83Å; V841-L844 PolarHBondContact O-N 2.85Å; L844-K846 PolarHBondContact O-N 3.02Å; L844-K846 VanDerWaalsContact O-N 3.1Å; L844-I847 PolarHBondContact O-N 2.93Å; L844-I847 VanDerWaalsContact O-N 3.14Å; L844-C848 WeakPolarHBondContact O-CB 3.12Å; L844-C848 PolarHBondContact O-N 2.96Å; L844-C848 PolarHBondContact O-SG 2.85Å |
| 845 | C | 88.4 | Confident | 88.9 | Confident | 86 Ų | 86 | 73.8 Ų | 73.8 | 58% | 0.581 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.2 | -26 | 178.7 | -72.8 | 0 | 0 | 0 | 0 | 114 | V841 R843 P849 | V841-C845 WeakPolarHBondContact O-CB 2.87Å; V841-C845 PolarHBondContact O-N 2.95Å; V841-C845 PolarHBondContact O-SG 2.95Å; V841-C845 VanDerWaalsContact O-SG 3.36Å; R843-C845 VanDerWaalsContact C-N 3.34Å; R843-C845 PolarHBondContact O-N 3.18Å; C845-P849 WeakPolarHBondContact O-CD 3.44Å; C845-P849 VanDerWaalsContact O-CG 3.23Å; C845-P849 WeakPolarHBondContact O-CG 3.42Å |
| 846 | K | 91 | Very high | 89.1 | Confident | 159 Ų | 159 | 76.1 Ų | 76.1 | 69% | 0.691 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -82.8 | -43.1 | 174.5 | -74 | -178.8 | -179.8 | -179.4 | 0 | 112.5 | Q842 R843 L844 | Q842-K846 PolarHBondContact O-N 2.92Å; R843-K846 PolarHBondContact O-N 2.81Å; R843-K846 VanDerWaalsContact O-N 3.1Å; L844-K846 PolarHBondContact O-N 3.02Å; L844-K846 VanDerWaalsContact O-N 3.1Å |
| 847 | I | 91 | Very high | 89.5 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 11% | 0.113 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -80.3 | -45.1 | -172.5 | -63.5 | 160.2 | 0 | 0 | 0 | 111.2 | L807 E808 R843 L844 L850 K851 | L807-I847 HydrophobicContact CB-CG2 3.69Å; L807-I847 HydrophobicContact CD1-CG2 4.47Å; E808-I847 HydrophobicContact CG-CD1 3.78Å; E808-I847 HydrophobicContact CG-CG1 4.49Å; E808-I847 WeakPolarHBondContact OE1-CD1 3.28Å; R843-I847 HydrophobicContact CB-CD1 4.45Å; R843-I847 WeakPolarHBondContact O-CG1 3.43Å; R843-I847 PolarHBondContact O-N 3.39Å; L844-I847 PolarHBondContact O-N 2.93Å; L844-I847 VanDerWaalsContact O-N 3.14Å; I847-L850 PolarHBondContact O-N 2.79Å; I847-K851 HydrophobicContact CG2-CG 3.8Å; I847-K851 WeakPolarHBondContact O-CG 3.46Å; I847-K851 PolarHBondContact O-N 3.27Å |
| 848 | C | 88.1 | Confident | 89.8 | Confident | 16 Ų | 16 | 75 Ų | 75 | 11% | 0.108 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -53.8 | -51 | -174.7 | -71.1 | 0 | 0 | 0 | 0 | 113.2 | M817 L844 L850 K851 L852 | M817-C848 HydrophobicContact CE-CB 3.48Å; M817-C848 VanDerWaalsContact CE-CB 3.48Å; M817-C848 HydrophobicContact SD-CB 3.61Å; M817-C848 PolarHBondContact SD-SG 2.82Å; L844-C848 WeakPolarHBondContact O-CB 3.12Å; L844-C848 PolarHBondContact O-N 2.96Å; L844-C848 PolarHBondContact O-SG 2.85Å; C848-L850 PolarHBondContact O-N 3.29Å; C848-K851 PolarHBondContact O-N 3.14Å; C848-L852 WeakPolarHBondContact O-CB 3.41Å; C848-L852 PolarHBondContact O-N 2.51Å |
| 849 | P | 89.8 | Confident | 89.9 | Confident | 77 Ų | 77 | 75 Ų | 75 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | -178.9 | -18 | 31.5 | 0 | 0 | 0 | 112.9 | C845 A853 | C845-P849 WeakPolarHBondContact O-CD 3.44Å; C845-P849 VanDerWaalsContact O-CG 3.23Å; C845-P849 WeakPolarHBondContact O-CG 3.42Å; P849-A853 VanDerWaalsContact O-CB 3.28Å; P849-A853 WeakPolarHBondContact O-CB 3.48Å; P849-A853 PolarHBondContact O-N 3.35Å |
| 850 | L | 91.7 | Very high | 90.1 | Very high | 117 Ų | 117 | 73.7 Ų | 73.7 | 61% | 0.613 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64 | -47.5 | 178.6 | -83 | 169.2 | 0 | 0 | 0 | 111.3 | I847 C848 A853 Q854 | I847-L850 PolarHBondContact O-N 2.79Å; C848-L850 PolarHBondContact O-N 3.29Å; L850-A853 PolarHBondContact O-N 3.31Å; L850-Q854 WeakPolarHBondContact O-CG 3.44Å; L850-Q854 PolarHBondContact O-N 2.64Å; L850-Q854 VanDerWaalsContact O-N 3.12Å |
| 851 | K | 90.2 | Very high | 90.5 | Very high | 32 Ų | 32 | 78.1 Ų | 78.1 | 14% | 0.139 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 179.9 | -61.7 | -62.1 | -178.2 | 166.7 | 0 | 111.8 | L807 E808 N810 I813 I847 C848 Q854 A855 | L807-K851 WeakPolarHBondContact O-CE 3.21Å; L807-K851 PolarHBondContact O-NZ 3.07Å; E808-K851 PolarHBondContact O-NZ 2.93Å; N810-K851 VanDerWaalsContact OD1-CD 3.23Å; N810-K851 WeakPolarHBondContact OD1-CD 3.44Å; N810-K851 WeakPolarHBondContact OD1-CE 3.47Å; N810-K851 PolarHBondContact OD1-NZ 3.13Å; I813-K851 HydrophobicContact CD1-CB 4.44Å; I813-K851 HydrophobicContact CG2-CB 4.09Å; I847-K851 HydrophobicContact CG2-CG 3.8Å; I847-K851 WeakPolarHBondContact O-CG 3.46Å; I847-K851 PolarHBondContact O-N 3.27Å; C848-K851 PolarHBondContact O-N 3.14Å; K851-Q854 WeakPolarHBondContact O-CB 3.42Å; K851-Q854 PolarHBondContact O-N 3.48Å; K851-A855 PolarHBondContact O-N 3.16Å |
| 852 | L | 87.8 | Confident | 90.9 | Very high | 87 Ų | 87 | 80.8 Ų | 80.8 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 177.5 | -153.3 | 147.3 | 0 | 0 | 0 | 111.6 | M817 C848 A855 R856 | M817-L852 HydrophobicContact CE-CD1 3.39Å; M817-L852 HydrophobicContact CG-CD1 4.4Å; C848-L852 WeakPolarHBondContact O-CB 3.41Å; C848-L852 PolarHBondContact O-N 2.51Å; L852-A855 PolarHBondContact O-N 3.46Å; L852-R856 VanDerWaalsContact O-CB 3.24Å; L852-R856 WeakPolarHBondContact O-CB 3.3Å; L852-R856 PolarHBondContact O-N 2.5Å |
| 853 | A | 91.5 | Very high | 91.1 | Very high | 40 Ų | 40 | 79.1 Ų | 79.1 | 33% | 0.331 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P849 L850 R856 D857 | P849-A853 VanDerWaalsContact O-CB 3.28Å; P849-A853 WeakPolarHBondContact O-CB 3.48Å; P849-A853 PolarHBondContact O-N 3.35Å; L850-A853 PolarHBondContact O-N 3.31Å; A853-R856 PolarHBondContact O-N 3.41Å; A853-D857 WeakPolarHBondContact O-CB 3.48Å; A853-D857 PolarHBondContact O-N 2.82Å |
| 854 | Q | 90.4 | Very high | 91.3 | Very high | 100 Ų | 100 | 74.7 Ų | 74.7 | 47% | 0.467 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 175.3 | -72.7 | 176.8 | -9.7 | 0 | 0 | 111.8 | L850 K851 R856 D857 T858 | L850-Q854 WeakPolarHBondContact O-CG 3.44Å; L850-Q854 PolarHBondContact O-N 2.64Å; L850-Q854 VanDerWaalsContact O-N 3.12Å; K851-Q854 WeakPolarHBondContact O-CB 3.42Å; K851-Q854 PolarHBondContact O-N 3.48Å; Q854-R856 PolarHBondContact O-N 2.98Å; Q854-D857 PolarHBondContact O-N 3.47Å; Q854-T858 WeakPolarHBondContact O-CG2 3.46Å; Q854-T858 PolarHBondContact O-N 2.8Å; Q854-T858 VanDerWaalsContact O-N 3.08Å |
| 855 | A | 87.4 | Confident | 91.6 | Very high | 23 Ų | 23 | 77 Ų | 77 | 19% | 0.19 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K851 L852 D857 T858 V859 | K851-A855 PolarHBondContact O-N 3.16Å; L852-A855 PolarHBondContact O-N 3.46Å; A855-D857 VanDerWaalsContact C-N 3.32Å; A855-D857 PolarHBondContact O-N 3.15Å; A855-T858 PolarHBondContact O-N 2.99Å; A855-T858 PolarHBondContact O-OG1 2.87Å; A855-V859 WeakPolarHBondContact O-CG2 3.29Å; A855-V859 PolarHBondContact O-N 3.08Å |
| 856 | R | 90.7 | Very high | 91.9 | Very high | 171 Ų | 171 | 78.5 Ų | 78.5 | 65% | 0.645 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -58.1 | -43.2 | 177.2 | -169.7 | -165.3 | 78.6 | 170.4 | 4.5 | 112.2 | L852 A853 Q854 V859 G860 | L852-R856 VanDerWaalsContact O-CB 3.24Å; L852-R856 WeakPolarHBondContact O-CB 3.3Å; L852-R856 PolarHBondContact O-N 2.5Å; A853-R856 PolarHBondContact O-N 3.41Å; Q854-R856 PolarHBondContact O-N 2.98Å; R856-V859 PolarHBondContact O-N 3.42Å; R856-G860 PolarHBondContact O-N 3.04Å |
| 857 | D | 93.9 | Very high | 91.9 | Very high | 87 Ų | 87 | 77 Ų | 77 | 47% | 0.465 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.3 | -37.8 | -178.4 | -67.1 | -15.6 | 0 | 0 | 0 | 110.7 | A853 Q854 A855 G860 V861 | A853-D857 WeakPolarHBondContact O-CB 3.48Å; A853-D857 PolarHBondContact O-N 2.82Å; Q854-D857 PolarHBondContact O-N 3.47Å; A855-D857 VanDerWaalsContact C-N 3.32Å; A855-D857 PolarHBondContact O-N 3.15Å; D857-G860 PolarHBondContact O-N 2.94Å; D857-V861 VanDerWaalsContact O-CG2 3.31Å; D857-V861 WeakPolarHBondContact O-CG2 3.3Å; D857-V861 PolarHBondContact O-N 2.86Å |
| 858 | T | 91.5 | Very high | 92.1 | Very high | 82 Ų | 82 | 81 Ų | 81 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 173.3 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | Q854 A855 G860 V861 N862 | Q854-T858 WeakPolarHBondContact O-CG2 3.46Å; Q854-T858 PolarHBondContact O-N 2.8Å; Q854-T858 VanDerWaalsContact O-N 3.08Å; A855-T858 PolarHBondContact O-N 2.99Å; A855-T858 PolarHBondContact O-OG1 2.87Å; T858-G860 VanDerWaalsContact C-N 3.31Å; T858-G860 PolarHBondContact O-N 3.21Å; T858-V861 PolarHBondContact O-N 3.04Å; T858-N862 VanDerWaalsContact O-CG 3.23Å; T858-N862 PolarHBondContact O-N 3.24Å; T858-N862 PolarHBondContact O-ND2 2.97Å; T858-N862 PolarHBondContact O-OD1 2.75Å |
| 859 | V | 90.1 | Very high | 92.3 | Very high | 78 Ų | 78 | 84.6 Ų | 84.6 | 47% | 0.473 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 176.4 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | A855 R856 N862 L863 | A855-V859 WeakPolarHBondContact O-CG2 3.29Å; A855-V859 PolarHBondContact O-N 3.08Å; R856-V859 PolarHBondContact O-N 3.42Å; V859-N862 PolarHBondContact O-N 3.03Å; V859-L863 VanDerWaalsContact O-CB 3.3Å; V859-L863 WeakPolarHBondContact O-CB 3.37Å; V859-L863 PolarHBondContact O-N 2.85Å |
| 860 | G | 94.9 | Very high | 92.3 | Very high | 39 Ų | 39 | 86.4 Ų | 86.4 | 40% | 0.402 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R856 D857 T858 A864 | R856-G860 PolarHBondContact O-N 3.04Å; D857-G860 PolarHBondContact O-N 2.94Å; T858-G860 VanDerWaalsContact C-N 3.31Å; T858-G860 PolarHBondContact O-N 3.21Å; G860-A864 WeakPolarHBondContact O-CB 3.39Å; G860-A864 PolarHBondContact O-N 2.91Å |
| 861 | V | 96.3 | Very high | 92 | Very high | 101 Ų | 101 | 86.7 Ų | 86.7 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.9 | -45.2 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | D857 T858 L863 A864 A865 | D857-V861 VanDerWaalsContact O-CG2 3.31Å; D857-V861 WeakPolarHBondContact O-CG2 3.3Å; D857-V861 PolarHBondContact O-N 2.86Å; T858-V861 PolarHBondContact O-N 3.04Å; V861-L863 PolarHBondContact O-N 2.78Å; V861-A864 PolarHBondContact O-N 3.42Å; V861-A865 WeakPolarHBondContact O-CB 3.45Å; V861-A865 PolarHBondContact O-N 3.24Å |
| 862 | N | 96 | Very high | 92 | Very high | 100 Ų | 100 | 90 Ų | 90 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 178.9 | -69.1 | -11.2 | 0 | 0 | 0 | 112.1 | T858 V859 A865 L866 | T858-N862 VanDerWaalsContact O-CG 3.23Å; T858-N862 PolarHBondContact O-N 3.24Å; T858-N862 PolarHBondContact O-ND2 2.97Å; T858-N862 PolarHBondContact O-OD1 2.75Å; V859-N862 PolarHBondContact O-N 3.03Å; N862-A865 PolarHBondContact O-N 2.83Å; N862-L866 WeakPolarHBondContact O-CB 3.38Å; N862-L866 WeakPolarHBondContact O-CG 3.14Å; N862-L866 PolarHBondContact O-N 2.84Å |
| 863 | L | 92.8 | Very high | 91.8 | Very high | 89 Ų | 89 | 89.8 Ų | 89.8 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 178.2 | -174.3 | 142.8 | 0 | 0 | 0 | 111.8 | V859 V861 K867 | V859-L863 VanDerWaalsContact O-CB 3.3Å; V859-L863 WeakPolarHBondContact O-CB 3.37Å; V859-L863 PolarHBondContact O-N 2.85Å; V861-L863 PolarHBondContact O-N 2.78Å; L863-K867 HydrophobicContact CD2-CD 3.9Å; L863-K867 WeakPolarHBondContact O-CB 3.5Å; L863-K867 WeakPolarHBondContact O-CG 3.46Å; L863-K867 PolarHBondContact O-N 2.8Å |
| 864 | A | 94.8 | Very high | 91.2 | Very high | 58 Ų | 58 | 92.9 Ų | 92.9 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G860 V861 K867 L868 | G860-A864 WeakPolarHBondContact O-CB 3.39Å; G860-A864 PolarHBondContact O-N 2.91Å; V861-A864 PolarHBondContact O-N 3.42Å; A864-K867 PolarHBondContact O-N 2.85Å; A864-L868 PolarHBondContact O-N 2.82Å |
| 865 | A | 95.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 94.3 Ų | 94.3 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V861 N862 K867 L868 L869 | V861-A865 WeakPolarHBondContact O-CB 3.45Å; V861-A865 PolarHBondContact O-N 3.24Å; N862-A865 PolarHBondContact O-N 2.83Å; A865-K867 PolarHBondContact O-N 3.49Å; A865-L868 WeakPolarHBondContact O-CB 3.22Å; A865-L868 PolarHBondContact O-N 2.74Å; A865-L869 WeakPolarHBondContact O-CB 3.38Å; A865-L869 PolarHBondContact O-N 2.85Å |
| 866 | L | 93.7 | Very high | 90.5 | Very high | 119 Ų | 119 | 102.8 Ų | 102.8 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 176.3 | -79.9 | 168.2 | 0 | 0 | 0 | 112.4 | N862 L868 L869 E870 | N862-L866 WeakPolarHBondContact O-CB 3.38Å; N862-L866 WeakPolarHBondContact O-CG 3.14Å; N862-L866 PolarHBondContact O-N 2.84Å; L866-L868 VanDerWaalsContact C-N 3.3Å; L866-L868 PolarHBondContact O-N 2.98Å; L866-L869 WeakPolarHBondContact O-CB 3.34Å; L866-L869 PolarHBondContact O-N 3.17Å; L866-E870 WeakPolarHBondContact O-CB 3.38Å; L866-E870 PolarHBondContact O-N 2.88Å |
| 867 | K | 92.6 | Very high | 89.6 | Confident | 127 Ų | 127 | 100.3 Ų | 100.3 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64 | -36.1 | 174.9 | -77.5 | -179.7 | 175.9 | 178 | 0 | 112.8 | L863 A864 A865 L869 K871 | L863-K867 HydrophobicContact CD2-CD 3.9Å; L863-K867 WeakPolarHBondContact O-CB 3.5Å; L863-K867 WeakPolarHBondContact O-CG 3.46Å; L863-K867 PolarHBondContact O-N 2.8Å; A864-K867 PolarHBondContact O-N 2.85Å; A865-K867 PolarHBondContact O-N 3.49Å; K867-L869 VanDerWaalsContact C-N 3.33Å; K867-K871 VanDerWaalsContact O-CB 3.32Å; K867-K871 WeakPolarHBondContact O-CB 3.45Å; K867-K871 PolarHBondContact O-N 2.87Å; K867-K871 VanDerWaalsContact O-N 3.07Å |
| 868 | L | 93.7 | Very high | 87.6 | Confident | 107 Ų | 107 | 104.5 Ų | 104.5 | 56% | 0.56 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 173.3 | -167 | 99.7 | 0 | 0 | 0 | 110 | A864 A865 L866 K871 E872 | A864-L868 PolarHBondContact O-N 2.82Å; A865-L868 WeakPolarHBondContact O-CB 3.22Å; A865-L868 PolarHBondContact O-N 2.74Å; L866-L868 VanDerWaalsContact C-N 3.3Å; L866-L868 PolarHBondContact O-N 2.98Å; L868-K871 WeakPolarHBondContact O-CB 3.14Å; L868-K871 PolarHBondContact O-N 2.61Å; L868-E872 WeakPolarHBondContact O-CG 3.03Å; L868-E872 PolarHBondContact O-N 2.96Å |
| 869 | L | 92.9 | Very high | 85.7 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | -178.8 | -144.2 | 158.9 | 0 | 0 | 0 | 112.2 | A865 L866 K867 K871 E872 L873 | A865-L869 WeakPolarHBondContact O-CB 3.38Å; A865-L869 PolarHBondContact O-N 2.85Å; L866-L869 WeakPolarHBondContact O-CB 3.34Å; L866-L869 PolarHBondContact O-N 3.17Å; K867-L869 VanDerWaalsContact C-N 3.33Å; L869-K871 VanDerWaalsContact C-N 3.31Å; L869-K871 PolarHBondContact O-N 3.01Å; L869-E872 PolarHBondContact O-N 3.44Å; L869-L873 HydrophobicContact CD2-CD1 3.79Å; L869-L873 HydrophobicContact CD2-CG 4.21Å; L869-L873 WeakPolarHBondContact O-CB 3.05Å; L869-L873 WeakPolarHBondContact O-CG 3.38Å; L869-L873 PolarHBondContact O-N 2.91Å |
| 870 | E | 89 | Confident | 83.6 | Confident | 115 Ų | 115 | 106.5 Ų | 106.5 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -55.9 | -48.6 | 170.2 | -179.9 | -178.1 | -163.4 | 0 | 0 | 110.1 | L866 E872 L873 E874 | L866-E870 WeakPolarHBondContact O-CB 3.38Å; L866-E870 PolarHBondContact O-N 2.88Å; E870-E872 PolarHBondContact O-N 3.18Å; E870-L873 WeakPolarHBondContact O-CB 3.24Å; E870-L873 PolarHBondContact O-N 3.05Å; E870-E874 WeakPolarHBondContact O-CG 3.36Å; E870-E874 PolarHBondContact O-N 2.83Å |
| 871 | K | 87.1 | Confident | 81.4 | Confident | 122 Ų | 122 | 109 Ų | 109 | 53% | 0.53 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.8 | -38.8 | 178.8 | -160.8 | -178.6 | 177.9 | -168.3 | 0 | 112.7 | K867 L868 L869 L873 E874 E875 | K867-K871 VanDerWaalsContact O-CB 3.32Å; K867-K871 WeakPolarHBondContact O-CB 3.45Å; K867-K871 PolarHBondContact O-N 2.87Å; K867-K871 VanDerWaalsContact O-N 3.07Å; L868-K871 WeakPolarHBondContact O-CB 3.14Å; L868-K871 PolarHBondContact O-N 2.61Å; L869-K871 VanDerWaalsContact C-N 3.31Å; L869-K871 PolarHBondContact O-N 3.01Å; K871-L873 VanDerWaalsContact C-N 3.34Å; K871-E874 PolarHBondContact O-N 3.02Å; K871-E875 WeakPolarHBondContact O-CB 3.45Å; K871-E875 VanDerWaalsContact O-CG 3.28Å; K871-E875 WeakPolarHBondContact O-CG 3.32Å; K871-E875 PolarHBondContact O-N 2.85Å |
| 872 | E | 89.3 | Confident | 79.2 | Confident | 101 Ų | 101 | 112.1 Ų | 112.1 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -35.9 | 173.9 | -76.1 | -178.6 | 175.9 | 0 | 0 | 112.4 | L868 L869 E870 R876 | L868-E872 WeakPolarHBondContact O-CG 3.03Å; L868-E872 PolarHBondContact O-N 2.96Å; L869-E872 PolarHBondContact O-N 3.44Å; E870-E872 PolarHBondContact O-N 3.18Å; E872-R876 WeakPolarHBondContact O-CB 3.24Å; E872-R876 PolarHBondContact O-N 3.4Å |
| 873 | L | 84.7 | Confident | 77.2 | Confident | 84 Ų | 84 | 111 Ų | 111 | 44% | 0.44 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.9 | -45.7 | 173.6 | -78.5 | 165.9 | 0 | 0 | 0 | 111.3 | L869 E870 K871 E875 R876 D877 | L869-L873 HydrophobicContact CD2-CD1 3.79Å; L869-L873 HydrophobicContact CD2-CG 4.21Å; L869-L873 WeakPolarHBondContact O-CB 3.05Å; L869-L873 WeakPolarHBondContact O-CG 3.38Å; L869-L873 PolarHBondContact O-N 2.91Å; E870-L873 WeakPolarHBondContact O-CB 3.24Å; E870-L873 PolarHBondContact O-N 3.05Å; K871-L873 VanDerWaalsContact C-N 3.34Å; L873-E875 VanDerWaalsContact C-N 3.28Å; L873-E875 PolarHBondContact O-N 3.49Å; L873-R876 WeakPolarHBondContact O-CB 3.32Å; L873-R876 PolarHBondContact O-N 2.81Å; L873-R876 VanDerWaalsContact O-N 3.13Å; L873-D877 PolarHBondContact O-N 3.33Å |
| 874 | E | 78.4 | Confident | 75.2 | Confident | 104 Ų | 104 | 112.4 Ų | 112.4 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -57.7 | -41.1 | 173.5 | -72.8 | -174.7 | 152 | 0 | 0 | 111.9 | E870 K871 Q878 | E870-E874 WeakPolarHBondContact O-CG 3.36Å; E870-E874 PolarHBondContact O-N 2.83Å; K871-E874 PolarHBondContact O-N 3.02Å; E874-Q878 PolarHBondContact O-N 2.89Å |
| 875 | E | 81.8 | Confident | 73.2 | Confident | 131 Ų | 131 | 111.8 Ų | 111.8 | 61% | 0.612 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.9 | -36.9 | 175.9 | -75.6 | 176.3 | -169.6 | 0 | 0 | 112.2 | K871 L873 | K871-E875 WeakPolarHBondContact O-CB 3.45Å; K871-E875 VanDerWaalsContact O-CG 3.28Å; K871-E875 WeakPolarHBondContact O-CG 3.32Å; K871-E875 PolarHBondContact O-N 2.85Å; L873-E875 VanDerWaalsContact C-N 3.28Å; L873-E875 PolarHBondContact O-N 3.49Å |
| 876 | R | 80.4 | Confident | 71.3 | Confident | 201 Ų | 201 | 114.3 Ų | 114.3 | 76% | 0.758 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.5 | -41.2 | 176.1 | -105 | -177.3 | 170.6 | 142.7 | -1 | 113.2 | E872 L873 Q878 | E872-R876 WeakPolarHBondContact O-CB 3.24Å; E872-R876 PolarHBondContact O-N 3.4Å; L873-R876 WeakPolarHBondContact O-CB 3.32Å; L873-R876 PolarHBondContact O-N 2.81Å; L873-R876 VanDerWaalsContact O-N 3.13Å; R876-Q878 VanDerWaalsContact C-N 3.27Å; R876-Q878 PolarHBondContact O-N 3.45Å |
| 877 | D | 71.6 | Confident | 69.5 | Low | 118 Ų | 118 | 111 Ų | 111 | 63% | 0.631 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -2.7 | -174.8 | -74.8 | -18.2 | 0 | 0 | 0 | 113.4 | L873 V879 | L873-D877 PolarHBondContact O-N 3.33Å; D877-V879 WeakPolarHBondContact O-CG2 3.15Å; D877-V879 PolarHBondContact O-N 3.34Å |
| 878 | Q | 52.9 | Low | 67.6 | Low | 175 Ų | 175 | 113 Ų | 113 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.2 | 20.7 | 178.3 | -66.8 | -170.3 | -5.2 | 0 | 0 | 115.5 | E874 R876 S880 | E874-Q878 PolarHBondContact O-N 2.89Å; R876-Q878 VanDerWaalsContact C-N 3.27Å; R876-Q878 PolarHBondContact O-N 3.45Å; Q878-S880 PolarHBondContact O-N 3.24Å |
| 879 | V | 50.9 | Low | 65.7 | Low | 102 Ų | 102 | 112.6 Ų | 112.6 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | trans | -95.1 | 75.7 | 178.8 | -169.5 | 0 | 0 | 0 | 0 | 110.9 | D877 V881 | D877-V879 WeakPolarHBondContact O-CG2 3.15Å; D877-V879 PolarHBondContact O-N 3.34Å; V879-V881 HydrophobicContact CG1-CB 4.32Å; V879-V881 HydrophobicContact CG1-CG2 4.33Å; V879-V881 PolarHBondContact O-N 3.26Å | ||
| 880 | S | 47.2 | Very low | 64 | Low | 100 Ų | 100 | 112.1 Ų | 112.1 | 70% | 0.699 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 49.7 | 174.7 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | Q878 | Q878-S880 PolarHBondContact O-N 3.24Š|
| 881 | V | 48.9 | Very low | 62.5 | Low | 91 Ų | 91 | 114 Ų | 114 | 55% | 0.552 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | -22 | -172.1 | -171 | 0 | 0 | 0 | 0 | 115.1 | V879 A885 | V879-V881 HydrophobicContact CG1-CB 4.32Å; V879-V881 HydrophobicContact CG1-CG2 4.33Å; V879-V881 PolarHBondContact O-N 3.26Å; V881-A885 VanDerWaalsContact O-CB 3.28Å; V881-A885 WeakPolarHBondContact O-CB 3.36Å |
| 882 | F | 48.2 | Very low | 61 | Low | 167 Ų | 167 | 117 Ų | 117 | 73% | 0.732 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -95.3 | -42.1 | -172.9 | -99.6 | -92.1 | 0 | 0 | 0 | 115.9 | A885 L886 | F882-A885 PolarHBondContact O-N 2.83Å; F882-L886 PolarHBondContact O-N 2.88Å; F882-L886 VanDerWaalsContact O-N 3.15Å |
| 883 | S | 54.6 | Low | 59.2 | Low | 76 Ų | 76 | 118.6 Ų | 118.6 | 53% | 0.531 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.4 | -38.5 | -176.6 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | A887 | S883-A887 WeakPolarHBondContact O-CB 3.34Å; S883-A887 PolarHBondContact O-N 2.81Å |
| 884 | E | 50.7 | Low | 57.8 | Low | 119 Ų | 119 | 122.3 Ų | 122.3 | 56% | 0.556 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.5 | -31 | 174.1 | -81.6 | -154.9 | 141 | 0 | 0 | 113.1 | R888 | E884-R888 VanDerWaalsContact O-CB 3.25Å; E884-R888 WeakPolarHBondContact O-CB 3.17Å; E884-R888 VanDerWaalsContact O-CG 3.25Å; E884-R888 WeakPolarHBondContact O-CG 3.2Å; E884-R888 PolarHBondContact O-N 3.49Å |
| 885 | A | 54 | Low | 56.6 | Low | 45 Ų | 45 | 125.5 Ų | 125.5 | 37% | 0.372 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.5 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V881 F882 R888 L889 | V881-A885 VanDerWaalsContact O-CB 3.28Å; V881-A885 WeakPolarHBondContact O-CB 3.36Å; F882-A885 PolarHBondContact O-N 2.83Å; A885-R888 PolarHBondContact O-N 3.34Å; A885-L889 WeakPolarHBondContact O-CB 3.46Å; A885-L889 PolarHBondContact O-N 2.64Å |
| 886 | L | 54.6 | Low | 55 | Low | 105 Ų | 105 | 127 Ų | 127 | 55% | 0.55 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.4 | -44.8 | 174.9 | -113.9 | 141.5 | 0 | 0 | 0 | 111.8 | F882 R888 L889 D890 | F882-L886 PolarHBondContact O-N 2.88Å; F882-L886 VanDerWaalsContact O-N 3.15Å; L886-R888 VanDerWaalsContact C-N 3.32Å; L886-R888 PolarHBondContact O-N 3.25Å; L886-L889 WeakPolarHBondContact O-CB 3.5Å; L886-L889 PolarHBondContact O-N 2.93Å; L886-L889 VanDerWaalsContact O-N 3.14Å; L886-D890 PolarHBondContact O-N 3.26Å |
| 887 | A | 55.7 | Low | 53.4 | Low | 50 Ų | 50 | 125.9 Ų | 125.9 | 41% | 0.413 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.3 | -34.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S883 K891 | S883-A887 WeakPolarHBondContact O-CB 3.34Å; S883-A887 PolarHBondContact O-N 2.81Å; A887-K891 WeakPolarHBondContact O-CB 3.26Å; A887-K891 WeakPolarHBondContact O-CG 3.33Å; A887-K891 PolarHBondContact O-N 2.81Å |
| 888 | R | 53.8 | Low | 52.1 | Low | 169 Ų | 169 | 128.5 Ų | 128.5 | 64% | 0.638 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.7 | -33.7 | 172.4 | -78.1 | 179 | 179.3 | -177 | 4.2 | 112.3 | E884 A885 L886 R892 | E884-R888 VanDerWaalsContact O-CB 3.25Å; E884-R888 WeakPolarHBondContact O-CB 3.17Å; E884-R888 VanDerWaalsContact O-CG 3.25Å; E884-R888 WeakPolarHBondContact O-CG 3.2Å; E884-R888 PolarHBondContact O-N 3.49Å; A885-R888 PolarHBondContact O-N 3.34Å; L886-R888 VanDerWaalsContact C-N 3.32Å; L886-R888 PolarHBondContact O-N 3.25Å; R888-R892 VanDerWaalsContact O-CB 3.29Å; R888-R892 WeakPolarHBondContact O-CB 3.41Å; R888-R892 PolarHBondContact O-N 3.34Å |
| 889 | L | 52.4 | Low | 51.5 | Low | 98 Ų | 98 | 123.7 Ų | 123.7 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.4 | -43 | 174.1 | -100.8 | 153.6 | 0 | 0 | 0 | 111.8 | A885 L886 R892 K893 | A885-L889 WeakPolarHBondContact O-CB 3.46Å; A885-L889 PolarHBondContact O-N 2.64Å; L886-L889 WeakPolarHBondContact O-CB 3.5Å; L886-L889 PolarHBondContact O-N 2.93Å; L886-L889 VanDerWaalsContact O-N 3.14Å; L889-R892 CarbonylContact O-C 3.55Å; L889-R892 WeakPolarHBondContact O-CB 3.3Å; L889-R892 PolarHBondContact O-N 2.86Å; L889-K893 WeakPolarHBondContact O-CG 3.39Å; L889-K893 PolarHBondContact O-N 3.49Å |
| 890 | D | 57.5 | Low | 51 | Low | 81 Ų | 81 | 123.5 Ų | 123.5 | 43% | 0.433 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.3 | -37.2 | 176.4 | -80.2 | -15.5 | 0 | 0 | 0 | 112.5 | L886 R892 K893 K894 | L886-D890 PolarHBondContact O-N 3.26Å; D890-R892 VanDerWaalsContact C-N 3.32Å; D890-R892 PolarHBondContact O-N 3.4Å; D890-K893 PolarHBondContact O-N 2.9Å; D890-K894 WeakPolarHBondContact O-CB 3.26Å; D890-K894 PolarHBondContact O-N 2.98Å |
| 891 | K | 58.4 | Low | 50.5 | Low | 155 Ų | 155 | 124.4 Ų | 124.4 | 67% | 0.674 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.5 | -35.7 | 169.1 | -78.9 | 177.4 | 178.6 | 173.5 | 0 | 111.9 | A887 K895 | A887-K891 WeakPolarHBondContact O-CB 3.26Å; A887-K891 WeakPolarHBondContact O-CG 3.33Å; A887-K891 PolarHBondContact O-N 2.81Å; K891-K895 WeakPolarHBondContact O-CB 3.43Å; K891-K895 PolarHBondContact O-N 3.2Å |
| 892 | R | 54.3 | Low | 50.2 | Low | 185 Ų | 185 | 123.7 Ų | 123.7 | 70% | 0.698 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.4 | -39.3 | 173.5 | -92.2 | 178.8 | 151.2 | -178 | -5 | 112.5 | R888 L889 D890 K895 K896 | R888-R892 VanDerWaalsContact O-CB 3.29Å; R888-R892 WeakPolarHBondContact O-CB 3.41Å; R888-R892 PolarHBondContact O-N 3.34Å; L889-R892 CarbonylContact O-C 3.55Å; L889-R892 WeakPolarHBondContact O-CB 3.3Å; L889-R892 PolarHBondContact O-N 2.86Å; D890-R892 VanDerWaalsContact C-N 3.32Å; D890-R892 PolarHBondContact O-N 3.4Å; R892-K895 PolarHBondContact O-N 3.31Å; R892-K896 WeakPolarHBondContact O-CB 3.32Å; R892-K896 WeakPolarHBondContact O-CG 3.3Å; R892-K896 PolarHBondContact O-N 3.41Å |
| 893 | K | 53.3 | Low | 49.8 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 59% | 0.587 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65 | -43.8 | 174.2 | -78.4 | -179.7 | 177.3 | 176.7 | 0 | 111.3 | L889 D890 K896 R897 | L889-K893 WeakPolarHBondContact O-CG 3.39Å; L889-K893 PolarHBondContact O-N 3.49Å; D890-K893 PolarHBondContact O-N 2.9Å; K893-K896 PolarHBondContact O-N 2.85Å; K893-R897 PolarHBondContact O-N 3.19Å; K893-R897 VanDerWaalsContact O-N 3.13Å |
| 894 | K | 54.5 | Low | 49.2 | Very low | 162 Ų | 162 | 120 Ų | 120 | 70% | 0.704 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.5 | -35.5 | 173.9 | -77.9 | -179.8 | 176.1 | 174.7 | 0 | 113.2 | D890 | D890-K894 WeakPolarHBondContact O-CB 3.26Å; D890-K894 PolarHBondContact O-N 2.98Å |
| 895 | K | 52.9 | Low | 48.7 | Very low | 170 Ų | 170 | 121.3 Ų | 121.3 | 74% | 0.739 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.5 | -33 | 173.1 | -85.9 | -174.8 | 174.9 | -177.4 | 0 | 113.4 | K891 R892 P899 | K891-K895 WeakPolarHBondContact O-CB 3.43Å; K891-K895 PolarHBondContact O-N 3.2Å; R892-K895 PolarHBondContact O-N 3.31Å; K895-P899 WeakPolarHBondContact O-CD 3.37Å |
| 896 | K | 49.1 | Very low | 48 | Very low | 164 Ų | 164 | 127.3 Ų | 127.3 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.4 | -23.3 | 176.2 | -80.2 | -173.6 | 174.7 | -174.3 | 0 | 114.1 | R892 K893 P899 | R892-K896 WeakPolarHBondContact O-CB 3.32Å; R892-K896 WeakPolarHBondContact O-CG 3.3Å; R892-K896 PolarHBondContact O-N 3.41Å; K893-K896 PolarHBondContact O-N 2.85Å; K896-P899 WeakPolarHBondContact O-CD 3.49Å |
| 897 | R | 46.1 | Very low | 47 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.7 | -19 | 174 | -78.5 | -175.3 | 164.2 | -168.7 | -7.5 | 114 | D220 K893 | D220-R897 IonicContact OD2-CZ 3.62Å; D220-R897 IonicContact OD2-NH1 3.55Å; D220-R897 IonicContact OD2-NH2 3.74Å; D220-R897 PolarHBondContact OD2-NH2 3.41Å; K893-R897 PolarHBondContact O-N 3.19Å; K893-R897 VanDerWaalsContact O-N 3.13Å |
| 898 | K | 45.3 | Very low | 45.9 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.2 | -34.3 | -178.8 | -79.4 | -171.5 | 173.3 | -172 | 0 | 116.9 | ||
| 899 | P | 39 | Very low | 45.5 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 48% | 0.481 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -83.5 | -6.1 | 178.7 | 30.2 | -34.2 | 0 | 0 | 0 | 114.9 | K895 K896 S902 | K895-P899 WeakPolarHBondContact O-CD 3.37Å; K896-P899 WeakPolarHBondContact O-CD 3.49Å; P899-S902 PolarHBondContact O-OG 3.13Å |
| 900 | V | 40.7 | Very low | 45.2 | Very low | 97 Ų | 97 | 140 Ų | 140 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -85 | -31.4 | 179.4 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 901 | K | 37.4 | Very low | 44.5 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 52% | 0.522 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -73.5 | -26.3 | 173.2 | -75.4 | -171.9 | 176 | -174.9 | 0 | 113.8 | E222 | E222-K901 IonicContact OE1-NZ 3.78Å; E222-K901 PolarHBondContact OE1-NZ 2.85Å; E222-K901 WeakPolarHBondContact OE2-CE 3.24Å; E222-K901 IonicContact OE2-NZ 3.91Å; E222-K901 PolarHBondContact OE2-NZ 3.45Å |
| 902 | S | 42 | Very low | 43.7 | Very low | 76 Ų | 76 | 142.6 Ų | 142.6 | 53% | 0.531 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -83.4 | -16 | 178.2 | 62.2 | 0 | 0 | 0 | 0 | 114.2 | P899 | P899-S902 PolarHBondContact O-OG 3.13Å |
| 903 | A | 40.1 | Very low | 43 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 53% | 0.529 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -88.7 | -18.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 904 | V | 40.9 | Very low | 42.3 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -87.7 | -25.9 | 177.5 | 179 | 0 | 0 | 0 | 0 | 111.7 | M906 | V904-M906 VanDerWaalsContact C-N 3.34Å; V904-M906 PolarHBondContact O-N 3Å |
| 905 | L | 40.3 | Very low | 41.5 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 1.3 | 176.6 | -107.7 | 134.3 | 0 | 0 | 0 | 115.1 | ||
| 906 | M | 40.6 | Very low | 40.6 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 84% | 0.842 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 10.4 | 173.9 | -87.4 | -154.1 | -164.7 | 0 | 0 | 113.5 | V904 | V904-M906 VanDerWaalsContact C-N 3.34Å; V904-M906 PolarHBondContact O-N 3Å |
| 907 | K | 32.8 | Very low | 39.9 | Very low | 195 Ų | 195 | 134 Ų | 134 | 85% | 0.848 | 69% | 0.688 | S | S | * | * | trans | -132.7 | 15.1 | 176.9 | -83.7 | -168.4 | 173.8 | -174.9 | 0 | 114.5 | ||||
| 908 | L | 33.4 | Very low | 39.3 | Very low | 214 Ų | 214 | 130.1 Ų | 130.1 | 100% | 1.12 | 69% | 0.69 | S | S | * | * | trans | -107.5 | 0 | 152.2 | -78.7 | 158.7 | 0 | 0 | 0 | 106.3 |
Retrieved 908 of 908 residues in 665.8 ms
(Link to these results)