| 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 | 25.9 | Very low | 27.3 | Very low | 245 Ų | 245 | 143.6 Ų | 143.6 | 100% | 1.207 | 80% | 0.795 | S | S | * | * | 0 | 133.3 | 0 | -79.1 | 174.3 | 162.8 | 0 | 0 | 108.5 | |||||
| 2 | T | 24 | Very low | 28.4 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -91.4 | 99.7 | -177.4 | 44.1 | 0 | 0 | 0 | 0 | 110.7 | H4 | T2-H4 PolarHBondContact O-N 3.04Š| ||
| 3 | S | 26.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -69.6 | 125.8 | 160.2 | 48.5 | 0 | 0 | 0 | 0 | 108.2 | A5 | S3-A5 PolarHBondContact O-N 3.36Š| ||
| 4 | H | 26.4 | Very low | 31.9 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | trans | -66.7 | 101.3 | 177.4 | -75.9 | -104.9 | 0 | 0 | 0 | 110.2 | T2 N6 | T2-H4 PolarHBondContact O-N 3.04Å; H4-N6 PolarHBondContact O-N 3.27Å | ||
| 5 | A | 28.2 | Very low | 33.8 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -64.2 | 121 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | S3 K7 | S3-A5 PolarHBondContact O-N 3.36Å; A5-K7 PolarHBondContact O-N 3.42Å | ||
| 6 | N | 26.7 | Very low | 35.2 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | trans | -61.7 | 106.2 | 178.3 | -81.1 | -16.2 | 0 | 0 | 0 | 109.4 | H4 G8 | H4-N6 PolarHBondContact O-N 3.27Å; N6-G8 PolarHBondContact O-N 3.05Å | ||
| 7 | K | 25.5 | Very low | 36.8 | Very low | 223 Ų | 223 | 119.1 Ų | 119.1 | 97% | 0.97 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -74.6 | 70.7 | 168.5 | -78.7 | -169.9 | 172.1 | -175.6 | 0 | 109.4 | A5 | A5-K7 PolarHBondContact O-N 3.42Š|
| 8 | G | 24.1 | Very low | 37.8 | Very low | 45 Ų | 45 | 112.6 Ų | 112.6 | 46% | 0.464 | 62% | 0.618 | S | S | . | * | S | Bend | trans | 159.6 | 149.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N6 | N6-G8 PolarHBondContact O-N 3.05Š|
| 9 | Q | 26.5 | Very low | 38.8 | Very low | 182 Ų | 182 | 106.8 Ų | 106.8 | 85% | 0.85 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 81.3 | 124.2 | 179.6 | -54.8 | 175.6 | -15.6 | 0 | 0 | 116 | ||
| 10 | N | 28.3 | Very low | 39.6 | Very low | 121 Ų | 121 | 101.8 Ų | 101.8 | 65% | 0.647 | 56% | 0.559 | S | S | * | * | trans | 63.3 | 75.5 | 163.4 | -57.5 | 1.3 | 0 | 0 | 0 | 118.2 | ||||
| 11 | T | 38.7 | Very low | 40.4 | Very low | 118 Ų | 118 | 98.2 Ų | 98.2 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -68.8 | -17.5 | 158.1 | 42.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 12 | D | 40.1 | Very low | 41.5 | Very low | 135 Ų | 135 | 91.7 Ų | 91.7 | 72% | 0.722 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -108.5 | -1.3 | -161.4 | -57.2 | 2.3 | 0 | 0 | 0 | 113.2 | ||
| 13 | S | 50.9 | Low | 42.9 | Very low | 39 Ų | 39 | 92 Ų | 92 | 27% | 0.273 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -77 | 143.7 | 178.6 | 48.3 | 0 | 0 | 0 | 0 | 112.4 | F15 | S13-F15 WeakPolarHBondContact O-CD2 3.49Å; S13-F15 WeakPolarHBondContact O-CE2 3.45Å; S13-F15 WeakPolarHBondContact OG-CZ 3.49Å |
| 14 | M | 54.4 | Low | 44.6 | Very low | 104 Ų | 104 | 87.9 Ų | 87.9 | 51% | 0.512 | 48% | 0.483 | S | S | . | . | trans | -68.2 | 128.9 | 167.6 | 177.9 | -176.2 | 64.8 | 0 | 0 | 110.1 | N175 | M14-N175 VanDerWaalsContact CE-ND2 3.34Å; M14-N175 WeakPolarHBondContact CE-ND2 3.36Å; M14-N175 HydrophobicContact CG-CB 4.17Å; M14-N175 HydrophobicContact SD-CB 3.99Å; M14-N175 PolarHBondContact SD-ND2 3.24Å | ||
| 15 | F | 61.2 | Low | 46.6 | Very low | 98 Ų | 98 | 81.4 Ų | 81.4 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 136.2 | 177.8 | -64.3 | -81.8 | 0 | 0 | 0 | 110.7 | S13 N175 L176 | S13-F15 WeakPolarHBondContact O-CD2 3.49Å; S13-F15 WeakPolarHBondContact O-CE2 3.45Å; S13-F15 WeakPolarHBondContact OG-CZ 3.49Å; F15-N175 CarbonylContact O-C 3.59Å; F15-N175 WeakPolarHBondContact O-CA 3.3Å; F15-L176 PolarHBondContact N-O 2.83Å; F15-L176 PolarHBondContact O-N 2.89Å |
| 16 | S | 56 | Low | 49 | Very low | 54 Ų | 54 | 77.4 Ų | 77.4 | 38% | 0.378 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.1 | 179.5 | -42.9 | 0 | 0 | 0 | 0 | 109.5 | V174 N175 | S16-V174 CarbonylContact C-O 3.42Å; S16-V174 WeakPolarHBondContact CA-O 3.31Å; S16-N175 VanDerWaalsContact CB-OD1 3.26Å; S16-N175 WeakPolarHBondContact CB-OD1 3.46Å; S16-N175 VanDerWaalsContact OG-CG 3.32Å; S16-N175 PolarHBondContact OG-ND2 2.68Å; S16-N175 PolarHBondContact OG-OD1 2.65Å |
| 17 | F | 62.5 | Low | 51.6 | Low | 15 Ų | 15 | 73.3 Ų | 73.3 | 7% | 0.066 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 150.3 | -179 | 83.3 | -57.2 | 0 | 0 | 0 | 114 | V174 L176 C256 I260 W261 | F17-V174 HydrophobicContact CD1-CB 3.99Å; F17-V174 HydrophobicContact CD1-CG1 4.43Å; F17-V174 HydrophobicContact CE1-CB 3.76Å; F17-V174 HydrophobicContact CE1-CG1 3.88Å; F17-V174 PolarHBondContact N-O 3.22Å; F17-V174 PolarHBondContact O-N 2.87Å; F17-L176 HydrophobicContact CD1-CD1 4.21Å; F17-L176 HydrophobicContact CD1-CG 4.17Å; F17-L176 HydrophobicContact CE1-CD1 3.64Å; F17-L176 HydrophobicContact CE1-CD2 4.07Å; F17-L176 HydrophobicContact CE1-CG 3.71Å; F17-L176 HydrophobicContact CZ-CD1 4.21Å; F17-C256 HydrophobicContact CD2-CB 4.16Å; F17-I260 HydrophobicContact CZ-CB 4.22Å; F17-I260 HydrophobicContact CZ-CG2 4.09Å; F17-W261 HydrophobicContact CD2-CB 4.41Å; F17-W261 HydrophobicContact CE2-CB 3.69Å; F17-W261 HydrophobicContact CZ-CB 3.91Å |
| 18 | G | 54.4 | Low | 54.5 | Low | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | trans | -172.1 | 157.1 | -176 | 0 | 0 | 0 | 0 | 0 | 110.3 | V20 S21 D171 | G18-V20 PolarHBondContact O-N 3.17Å; G18-V20 VanDerWaalsContact O-N 3.16Å; G18-S21 WeakPolarHBondContact O-CB 3.3Å; G18-S21 PolarHBondContact O-N 3.15Å; G18-S21 PolarHBondContact O-OG 3.49Å; G18-D171 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 19 | L | 56.6 | Low | 57.4 | Low | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24 | -173.5 | -96.7 | 168.1 | 0 | 0 | 0 | 113.8 | C24 I129 V169 D171 F258 W261 | L19-C24 WeakPolarHBondContact O-CB 3.36Å; L19-C24 PolarHBondContact O-SG 3.03Å; L19-C24 VanDerWaalsContact O-SG 3.39Å; L19-I129 HydrophobicContact CD1-CD1 3.94Å; L19-I129 HydrophobicContact CD1-CG1 4.14Å; L19-I129 HydrophobicContact CD2-CD1 4.09Å; L19-V169 HydrophobicContact CB-CG1 3.8Å; L19-V169 HydrophobicContact CD1-CG1 3.86Å; L19-V169 HydrophobicContact CG-CG1 4.41Å; L19-D171 VanDerWaalsContact N-CG 3.34Å; L19-D171 PolarHBondContact N-OD1 3.06Å; L19-D171 PolarHBondContact N-OD2 3.1Å; L19-F258 HydrophobicContact CD2-CD1 3.65Å; L19-F258 HydrophobicContact CD2-CE1 3.77Å; L19-F258 HydrophobicContact CD2-CG 4.22Å; L19-F258 HydrophobicContact CD2-CZ 4.41Å; L19-F258 HydrophobicContact CG-CD1 3.83Å; L19-F258 HydrophobicContact CG-CE1 4.08Å; L19-W261 HydrophobicContact CD1-CD2 4.48Å; L19-W261 HydrophobicContact CD1-CE3 4.03Å; L19-W261 HydrophobicContact CD1-CH2 3.57Å; L19-W261 HydrophobicContact CD1-CZ2 3.98Å; L19-W261 HydrophobicContact CD1-CZ3 3.57Å; L19-W261 HydrophobicContact CG-CE3 4.45Å; L19-W261 HydrophobicContact CG-CZ3 4.44Å |
| 20 | V | 55.2 | Low | 60.3 | Low | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 25.4 | -176.5 | -163.9 | 0 | 0 | 0 | 0 | 111.1 | G18 V169 D171 T344 L346 K372 | G18-V20 PolarHBondContact O-N 3.17Å; G18-V20 VanDerWaalsContact O-N 3.16Å; V20-V169 HydrophobicContact CG2-CB 3.77Å; V20-V169 HydrophobicContact CG2-CG1 3.72Å; V20-V169 HydrophobicContact CG2-CG2 4.12Å; V20-D171 WeakPolarHBondContact CA-OD2 3.28Å; V20-D171 HydrophobicContact CB-CB 4.31Å; V20-D171 WeakPolarHBondContact CB-OD2 3.45Å; V20-D171 HydrophobicContact CG2-CB 3.98Å; V20-D171 PolarHBondContact N-OD2 3.26Å; V20-T344 HydrophobicContact CG1-CG2 3.64Å; V20-L346 HydrophobicContact CG1-CD2 3.88Å; V20-K372 HydrophobicContact CG1-CD 4.37Å; V20-K372 HydrophobicContact CG1-CG 3.88Å; V20-K372 WeakPolarHBondContact O-CE 3.43Å; V20-K372 PolarHBondContact O-NZ 2.94Å |
| 21 | S | 56.5 | Low | 63 | Low | 27 Ų | 27 | 51.8 Ų | 51.8 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -59.8 | 153.5 | 162.6 | 60.8 | 0 | 0 | 0 | 0 | 111 | G18 Q23 C24 | G18-S21 WeakPolarHBondContact O-CB 3.3Å; G18-S21 PolarHBondContact O-N 3.15Å; G18-S21 PolarHBondContact O-OG 3.49Å; S21-Q23 PolarHBondContact O-N 3.32Å; S21-C24 PolarHBondContact O-N 2.99Å |
| 22 | S | 49.5 | Very low | 64.9 | Low | 109 Ų | 109 | 47.7 Ų | 47.7 | 76% | 0.762 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -8.7 | 177.8 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 23 | Q | 53.2 | Low | 66.9 | Low | 136 Ų | 136 | 43.8 Ų | 43.8 | 64% | 0.636 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -11.9 | 177.4 | -59.5 | -178.6 | 7.7 | 0 | 0 | 113 | S21 S64 | S21-Q23 PolarHBondContact O-N 3.32Å; Q23-S64 WeakPolarHBondContact O-CB 3.49Å |
| 24 | C | 61.8 | Low | 68.7 | Low | 28 Ų | 28 | 42.2 Ų | 42.2 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | trans | -91.7 | 140.1 | 179.8 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | L19 S21 | L19-C24 WeakPolarHBondContact O-CB 3.36Å; L19-C24 PolarHBondContact O-SG 3.03Å; L19-C24 VanDerWaalsContact O-SG 3.39Å; S21-C24 PolarHBondContact O-N 2.99Å | ||
| 25 | S | 68.8 | Low | 70 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 26% | 0.259 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.9 | 168.7 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | S64 S65 L66 | S25-S64 PolarHBondContact N-O 3.23Å; S25-S64 PolarHBondContact OG-O 3.12Å; S25-S65 WeakPolarHBondContact O-CA 3.46Å; S25-S65 PolarHBondContact OG-OG 3.39Å; S25-L66 PolarHBondContact O-N 3.1Å |
| 26 | V | 77.4 | Confident | 71 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.3 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | L66 F131 L346 L370 | V26-L66 CarbonylContact C-O 3.54Å; V26-L66 WeakPolarHBondContact CA-O 3.36Å; V26-L66 HydrophobicContact CG1-CD2 4.33Å; V26-L66 HydrophobicContact CG2-CB 4.31Å; V26-L66 HydrophobicContact CG2-CD2 4.4Å; V26-F131 HydrophobicContact CG1-CE1 4.24Å; V26-F131 HydrophobicContact CG1-CZ 4.14Å; V26-L346 HydrophobicContact CB-CD1 4.11Å; V26-L346 HydrophobicContact CG2-CD1 3.56Å; V26-L370 HydrophobicContact CB-CB 4.32Å; V26-L370 HydrophobicContact CG1-CD1 4.01Å; V26-L370 PolarHBondContact O-N 3.2Å |
| 27 | K | 82.5 | Confident | 72.4 | Confident | 54 Ų | 54 | 34.9 Ų | 34.9 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 116 | -173.8 | -63.6 | 178.7 | -177.2 | 147.8 | 0 | 110 | S65 L66 V68 T367 W368 | K27-S65 PolarHBondContact NZ-OG 3.48Å; K27-L66 PolarHBondContact N-O 3.47Å; K27-V68 PolarHBondContact O-N 3.48Å; K27-T367 HydrophobicContact CB-CG2 4.48Å; K27-W368 WeakPolarHBondContact CA-O 3.41Å |
| 28 | F | 85 | Confident | 73.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 117.9 | 175.7 | -167.9 | -91.4 | 0 | 0 | 0 | 109.5 | I30 L54 V68 I70 I87 F131 F163 V165 T367 W368 L370 | F28-I30 HydrophobicContact CE1-CB 4.49Å; F28-L54 HydrophobicContact CZ-CD1 4.02Å; F28-V68 HydrophobicContact CD2-CB 4.24Å; F28-V68 HydrophobicContact CD2-CG1 3.63Å; F28-V68 HydrophobicContact CE2-CG1 3.87Å; F28-I70 HydrophobicContact CE1-CG1 4.01Å; F28-I70 HydrophobicContact CE2-CD1 4.03Å; F28-I70 HydrophobicContact CE2-CG1 3.92Å; F28-I70 HydrophobicContact CZ-CD1 4.08Å; F28-I70 HydrophobicContact CZ-CG1 3.56Å; F28-I87 HydrophobicContact CE2-CD1 3.64Å; F28-I87 HydrophobicContact CZ-CD1 4.33Å; F28-F131 HydrophobicContact CD2-CD1 4.49Å; F28-F163 HydrophobicContact CE1-CE1 4.33Å; F28-F163 HydrophobicContact CE1-CZ 4.3Å; F28-V165 HydrophobicContact CB-CG1 4.48Å; F28-V165 HydrophobicContact CD1-CG2 3.91Å; F28-V165 HydrophobicContact CD2-CG1 3.68Å; F28-V165 HydrophobicContact CD2-CG2 4.44Å; F28-V165 HydrophobicContact CE1-CG2 3.87Å; F28-V165 HydrophobicContact CE2-CG1 3.9Å; F28-V165 HydrophobicContact CE2-CG2 4.39Å; F28-V165 HydrophobicContact CG-CG1 4Å; F28-V165 HydrophobicContact CG-CG2 4.18Å; F28-V165 HydrophobicContact CZ-CG1 4.43Å; F28-V165 HydrophobicContact CZ-CG2 4.1Å; F28-T367 CarbonylContact O-C 3.43Å; F28-T367 VanDerWaalsContact O-CA 3.29Å; F28-T367 WeakPolarHBondContact O-CA 3.49Å; F28-W368 AromaticContact CD1-CE3 3.83Å; F28-W368 HydrophobicContact CD1-CE3 3.83Å; F28-W368 HydrophobicContact CD1-CZ3 4.06Å; F28-W368 HydrophobicContact CE1-CZ3 4.46Å; F28-W368 PolarHBondContact N-O 3.49Å; F28-W368 PolarHBondContact O-N 2.99Å; F28-L370 HydrophobicContact CB-CD2 4.29Å; F28-L370 HydrophobicContact CB-CG 4.45Å |
| 29 | M | 85.9 | Confident | 75 | Confident | 35 Ų | 35 | 36.5 Ų | 36.5 | 17% | 0.172 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.6 | -176.6 | -63.7 | 176.6 | 57.8 | 0 | 0 | 109.9 | N67 V68 I69 I70 Y365 F366 T367 | M29-N67 HydrophobicContact SD-CB 4.33Å; M29-V68 WeakPolarHBondContact CA-O 3.1Å; M29-V68 WeakPolarHBondContact CB-O 3.43Å; M29-V68 PolarHBondContact N-O 3.07Å; M29-V68 VanDerWaalsContact O-O 3.13Å; M29-I69 HydrophobicContact SD-CG1 4.49Å; M29-I70 WeakPolarHBondContact O-CB 3.22Å; M29-I70 WeakPolarHBondContact O-CG1 3.33Å; M29-I70 PolarHBondContact O-N 3.28Å; M29-Y365 HydrophobicContact CB-CD1 4.26Å; M29-Y365 HydrophobicContact CE-CD1 4.28Å; M29-Y365 HydrophobicContact CE-CD2 4.16Å; M29-Y365 HydrophobicContact CE-CG 3.92Å; M29-F366 CarbonylContact C-O 3.55Å; M29-F366 WeakPolarHBondContact CA-O 3.47Å; M29-T367 HydrophobicContact CG-CG2 3.8Å |
| 30 | I | 86.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.7 | 178.5 | -166.9 | 160.8 | 0 | 0 | 0 | 110.5 | F28 V34 C35 L54 I70 Y365 F366 W368 | F28-I30 HydrophobicContact CE1-CB 4.49Å; I30-V34 HydrophobicContact CD1-CB 4.24Å; I30-V34 HydrophobicContact CD1-CG1 3.83Å; I30-V34 HydrophobicContact CG1-CB 3.85Å; I30-V34 HydrophobicContact CG1-CG1 3.94Å; I30-C35 WeakPolarHBondContact CG2-SG 3.49Å; I30-L54 HydrophobicContact CD1-CD1 4.07Å; I30-L54 HydrophobicContact CD1-CD2 4.01Å; I30-I70 HydrophobicContact CB-CB 4.11Å; I30-I70 HydrophobicContact CD1-CB 4.3Å; I30-I70 HydrophobicContact CD1-CG2 3.92Å; I30-I70 HydrophobicContact CG1-CB 3.87Å; I30-I70 HydrophobicContact CG1-CG2 3.85Å; I30-Y365 CarbonylContact O-C 3.47Å; I30-Y365 VanDerWaalsContact O-CA 3.24Å; I30-Y365 WeakPolarHBondContact O-CA 3.42Å; I30-F366 HydrophobicContact CG2-CB 4.01Å; I30-F366 HydrophobicContact CG2-CD2 4.27Å; I30-F366 PolarHBondContact N-O 3.13Å; I30-F366 PolarHBondContact O-N 2.97Å; I30-W368 HydrophobicContact CB-CZ3 4.45Å; I30-W368 HydrophobicContact CG2-CH2 3.81Å; I30-W368 HydrophobicContact CG2-CZ3 3.5Å |
| 31 | R | 84.7 | Confident | 77.7 | Confident | 83 Ų | 83 | 41.7 Ų | 41.7 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 140.8 | 173.5 | -69.4 | -171.9 | 179.9 | -136.4 | -3 | 110.6 | E33 V34 C35 I70 N71 E364 Y365 | R31-E33 PolarHBondContact O-N 3.45Å; R31-E33 VanDerWaalsContact O-N 3.08Å; R31-V34 HydrophobicContact CB-CG2 4.07Å; R31-V34 PolarHBondContact O-N 2.82Å; R31-C35 PolarHBondContact O-N 3.26Å; R31-I70 PolarHBondContact N-O 3.01Å; R31-N71 PolarHBondContact NE-OD1 3.48Å; R31-E364 HydrophobicContact CG-CG 4.33Å; R31-E364 IonicContact CZ-OE1 2.64Å; R31-E364 IonicContact CZ-OE2 3.88Å; R31-E364 IonicContact NE-OE1 2.65Å; R31-E364 IonicContact NH1-OE1 3.66Å; R31-E364 PolarHBondContact NH1-OE1 3.48Å; R31-E364 IonicContact NH1-OE2 3.95Å; R31-E364 IonicContact NH2-OE1 2.74Å; R31-E364 IonicContact NH2-OE2 2.72Å; R31-Y365 HydrophobicContact CB-CE1 4.49Å; R31-Y365 HydrophobicContact CG-CD1 3.92Å; R31-Y365 HydrophobicContact CG-CE1 3.37Å; R31-Y365 VanDerWaalsContact CZ-OH 3.29Å; R31-Y365 PolarHBondContact NE-OH 3.31Å; R31-Y365 VanDerWaalsContact NE-OH 3.16Å; R31-Y365 PolarHBondContact NH2-OH 3.18Å; R31-Y365 VanDerWaalsContact NH2-OH 3.08Å |
| 32 | K | 80.5 | Confident | 79 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.9 | -32.5 | 176.2 | -79.4 | 169.4 | 178.7 | 177.5 | 0 | 111.9 | C35 K36 S363 E364 F366 | K32-C35 PolarHBondContact O-N 3.05Å; K32-K36 WeakPolarHBondContact O-CG 3.33Å; K32-K36 PolarHBondContact O-N 2.78Å; K32-S363 WeakPolarHBondContact CD-O 3.41Å; K32-S363 VanDerWaalsContact CE-O 3.27Å; K32-S363 WeakPolarHBondContact CE-O 3.49Å; K32-S363 PolarHBondContact NZ-O 2.71Å; K32-S363 PolarHBondContact NZ-OG 3.21Å; K32-E364 WeakPolarHBondContact CB-O 3.31Å; K32-E364 VanDerWaalsContact CG-O 3.24Å; K32-E364 WeakPolarHBondContact CG-O 3.45Å; K32-E364 PolarHBondContact N-O 2.97Å; K32-F366 HydrophobicContact CB-CE2 4.21Å; K32-F366 HydrophobicContact CD-CZ 4.35Å; K32-F366 HydrophobicContact CG-CD2 4Å; K32-F366 HydrophobicContact CG-CE1 4.13Å; K32-F366 HydrophobicContact CG-CE2 3.57Å; K32-F366 HydrophobicContact CG-CG 4.47Å; K32-F366 HydrophobicContact CG-CZ 3.65Å |
| 33 | E | 82 | Confident | 80.5 | Confident | 54 Ų | 54 | 38.5 Ų | 38.5 | 25% | 0.252 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.8 | -39.4 | -178.6 | -70.7 | 50.4 | -110.3 | 0 | 0 | 111.8 | R31 K36 L37 | R31-E33 PolarHBondContact O-N 3.45Å; R31-E33 VanDerWaalsContact O-N 3.08Å; E33-K36 PolarHBondContact O-N 2.91Å; E33-K36 IonicContact OE1-NZ 3.15Å; E33-K36 PolarHBondContact OE1-NZ 2.87Å; E33-L37 WeakPolarHBondContact O-CB 3.23Å; E33-L37 PolarHBondContact O-N 3.4Å |
| 34 | V | 86.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.8 | -42.5 | 177.7 | -177.8 | 0 | 0 | 0 | 0 | 110 | I30 R31 L37 A38 L54 I70 N71 I73 | I30-V34 HydrophobicContact CD1-CB 4.24Å; I30-V34 HydrophobicContact CD1-CG1 3.83Å; I30-V34 HydrophobicContact CG1-CB 3.85Å; I30-V34 HydrophobicContact CG1-CG1 3.94Å; R31-V34 HydrophobicContact CB-CG2 4.07Å; R31-V34 PolarHBondContact O-N 2.82Å; V34-L37 PolarHBondContact O-N 2.92Å; V34-A38 WeakPolarHBondContact O-CB 3.23Å; V34-A38 PolarHBondContact O-N 3.02Å; V34-L54 HydrophobicContact CG1-CD2 3.83Å; V34-I70 HydrophobicContact CG1-CG2 4.3Å; V34-N71 VanDerWaalsContact CG2-C 3.47Å; V34-N71 VanDerWaalsContact CG2-O 3.31Å; V34-N71 WeakPolarHBondContact CG2-O 3.46Å; V34-I73 HydrophobicContact CG1-CB 3.71Å; V34-I73 HydrophobicContact CG1-CG2 3.81Å |
| 35 | C | 83.7 | Confident | 82.7 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -46.1 | 171.1 | -75.7 | 0 | 0 | 0 | 0 | 112.1 | I30 R31 K32 L37 A38 Y39 M158 F160 F366 | I30-C35 WeakPolarHBondContact CG2-SG 3.49Å; R31-C35 PolarHBondContact O-N 3.26Å; K32-C35 PolarHBondContact O-N 3.05Å; C35-L37 VanDerWaalsContact C-N 3.28Å; C35-L37 PolarHBondContact O-N 3.2Å; C35-A38 PolarHBondContact O-N 3.35Å; C35-Y39 PolarHBondContact O-N 3.13Å; C35-M158 VanDerWaalsContact C-CE 3.47Å; C35-M158 HydrophobicContact CB-CE 3.9Å; C35-M158 VanDerWaalsContact O-CE 3.29Å; C35-M158 WeakPolarHBondContact O-CE 3.45Å; C35-F160 HydrophobicContact CB-CE2 4.33Å; C35-F366 HydrophobicContact CB-CD2 4.2Å; C35-F366 HydrophobicContact CB-CE2 3.97Å |
| 36 | K | 81.1 | Confident | 83.2 | Confident | 75 Ų | 75 | 45.1 Ų | 45.1 | 33% | 0.326 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56.2 | -42.7 | 176.3 | -72.7 | 163.1 | -167.6 | 167.1 | 0 | 111.2 | K32 E33 R40 M158 | K32-K36 WeakPolarHBondContact O-CG 3.33Å; K32-K36 PolarHBondContact O-N 2.78Å; E33-K36 PolarHBondContact O-N 2.91Å; E33-K36 IonicContact OE1-NZ 3.15Å; E33-K36 PolarHBondContact OE1-NZ 2.87Å; K36-R40 VanDerWaalsContact O-CG 3.31Å; K36-R40 WeakPolarHBondContact O-CG 3.39Å; K36-R40 PolarHBondContact O-N 3.32Å; K36-R40 VanDerWaalsContact O-N 3.1Å; K36-M158 HydrophobicContact CB-SD 4.11Å; K36-M158 HydrophobicContact CG-SD 3.47Å; K36-M158 WeakPolarHBondContact CG-SD 3.22Å |
| 37 | L | 86 | Confident | 83.3 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 13% | 0.131 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.4 | -46.5 | 176.4 | 179.5 | 51.8 | 0 | 0 | 0 | 111.7 | E33 V34 C35 Y39 R40 M41 I73 I1004 L1008 | E33-L37 WeakPolarHBondContact O-CB 3.23Å; E33-L37 PolarHBondContact O-N 3.4Å; V34-L37 PolarHBondContact O-N 2.92Å; C35-L37 VanDerWaalsContact C-N 3.28Å; C35-L37 PolarHBondContact O-N 3.2Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-Y39 PolarHBondContact O-N 3.39Å; L37-R40 CarbonylContact O-C 3.56Å; L37-R40 WeakPolarHBondContact O-CB 3.09Å; L37-R40 PolarHBondContact O-N 3.39Å; L37-R40 VanDerWaalsContact O-N 3.11Å; L37-M41 HydrophobicContact CD1-CG 4.06Å; L37-M41 HydrophobicContact CD1-SD 4.16Å; L37-M41 HydrophobicContact CG-CG 4.42Å; L37-M41 HydrophobicContact CG-SD 3.95Å; L37-M41 VanDerWaalsContact O-CG 3.3Å; L37-M41 WeakPolarHBondContact O-CG 3.42Å; L37-M41 PolarHBondContact O-N 3.48Å; L37-I73 HydrophobicContact CB-CG2 4.04Å; L37-I73 HydrophobicContact CD2-CG2 3.65Å; L37-I73 HydrophobicContact CG-CG2 3.72Å; L37-I1004 HydrophobicContact CD1-CG2 4.22Å; L37-L1008 HydrophobicContact CB-CD1 4.13Å; L37-L1008 HydrophobicContact CD1-CD1 3.87Å; L37-L1008 HydrophobicContact CD2-CD1 4.1Å; L37-L1008 HydrophobicContact CG-CD1 4.25Å |
| 38 | A | 87.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.5 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V34 C35 M41 I42 I73 F89 L91 F160 | V34-A38 WeakPolarHBondContact O-CB 3.23Å; V34-A38 PolarHBondContact O-N 3.02Å; C35-A38 PolarHBondContact O-N 3.35Å; A38-M41 WeakPolarHBondContact O-CB 3.16Å; A38-M41 PolarHBondContact O-N 3.29Å; A38-I42 PolarHBondContact O-N 2.87Å; A38-I42 VanDerWaalsContact O-N 3.07Å; A38-I73 HydrophobicContact CB-CD1 3.62Å; A38-F89 HydrophobicContact CB-CE1 3.95Å; A38-L91 HydrophobicContact CB-CD1 4.04Å; A38-L91 HydrophobicContact CB-CD2 4.15Å; A38-F160 HydrophobicContact CB-CZ 4.12Å |
| 39 | Y | 84.2 | Confident | 83.2 | Confident | 49 Ų | 49 | 55 Ų | 55 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 175.4 | -178.3 | -92.1 | 0 | 0 | 0 | 112 | C35 L37 M41 T43 V137 L154 M158 | C35-Y39 PolarHBondContact O-N 3.13Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-Y39 PolarHBondContact O-N 3.39Å; Y39-M41 VanDerWaalsContact C-N 3.31Å; Y39-M41 PolarHBondContact O-N 3.08Å; Y39-T43 HydrophobicContact CD1-CG2 4.25Å; Y39-T43 HydrophobicContact CE1-CG2 3.95Å; Y39-T43 HydrophobicContact CE2-CG2 4.24Å; Y39-T43 WeakPolarHBondContact O-CB 3.36Å; Y39-T43 WeakPolarHBondContact O-CG2 3.39Å; Y39-T43 PolarHBondContact O-N 3.5Å; Y39-T43 VanDerWaalsContact O-N 3.07Å; Y39-T43 PolarHBondContact O-OG1 2.98Å; Y39-V137 HydrophobicContact CD2-CG1 4.16Å; Y39-V137 HydrophobicContact CD2-CG2 4.06Å; Y39-V137 HydrophobicContact CE2-CG1 3.56Å; Y39-V137 HydrophobicContact CE2-CG2 4.3Å; Y39-L154 HydrophobicContact CE1-CD2 4.4Å; Y39-M158 HydrophobicContact CG-CE 4.33Å |
| 40 | R | 82.3 | Confident | 83.2 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 33% | 0.332 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 172.9 | -74.7 | 174.4 | 175.4 | -161.6 | 0.2 | 112.5 | K36 L37 T43 R44 | K36-R40 VanDerWaalsContact O-CG 3.31Å; K36-R40 WeakPolarHBondContact O-CG 3.39Å; K36-R40 PolarHBondContact O-N 3.32Å; K36-R40 VanDerWaalsContact O-N 3.1Å; L37-R40 CarbonylContact O-C 3.56Å; L37-R40 WeakPolarHBondContact O-CB 3.09Å; L37-R40 PolarHBondContact O-N 3.39Å; L37-R40 VanDerWaalsContact O-N 3.11Å; R40-T43 PolarHBondContact O-OG1 3.38Å; R40-R44 VanDerWaalsContact O-CB 3.28Å; R40-R44 WeakPolarHBondContact O-CB 3.31Å; R40-R44 VanDerWaalsContact O-CG 3.28Å; R40-R44 WeakPolarHBondContact O-CG 3.36Å; R40-R44 PolarHBondContact O-N 3.09Å; R40-R44 VanDerWaalsContact O-N 3.12Å |
| 41 | M | 86.3 | Confident | 83.3 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 15% | 0.148 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.5 | -52.4 | 178.4 | -71.1 | 168.1 | 74 | 0 | 0 | 111.4 | L37 A38 Y39 T43 R44 C45 L50 T52 I73 Q75 | L37-M41 HydrophobicContact CD1-CG 4.06Å; L37-M41 HydrophobicContact CD1-SD 4.16Å; L37-M41 HydrophobicContact CG-CG 4.42Å; L37-M41 HydrophobicContact CG-SD 3.95Å; L37-M41 VanDerWaalsContact O-CG 3.3Å; L37-M41 WeakPolarHBondContact O-CG 3.42Å; L37-M41 PolarHBondContact O-N 3.48Å; A38-M41 WeakPolarHBondContact O-CB 3.16Å; A38-M41 PolarHBondContact O-N 3.29Å; Y39-M41 VanDerWaalsContact C-N 3.31Å; Y39-M41 PolarHBondContact O-N 3.08Å; M41-T43 PolarHBondContact O-N 3.1Å; M41-R44 PolarHBondContact O-N 3.07Å; M41-C45 VanDerWaalsContact O-CB 3.3Å; M41-C45 WeakPolarHBondContact O-CB 3.37Å; M41-C45 PolarHBondContact O-N 3.33Å; M41-L50 HydrophobicContact CB-CD2 3.87Å; M41-L50 HydrophobicContact CE-CD2 4.19Å; M41-T52 HydrophobicContact CE-CG2 3.69Å; M41-I73 HydrophobicContact SD-CD1 4.08Å; M41-I73 HydrophobicContact SD-CG1 4.29Å; M41-I73 HydrophobicContact SD-CG2 4.18Å; M41-Q75 HydrophobicContact CE-CB 4Å |
| 42 | I | 83.8 | Confident | 83.5 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.2 | -31.5 | -178 | -168.6 | 57.4 | 0 | 0 | 0 | 113.4 | A38 L50 L91 K93 V137 | A38-I42 PolarHBondContact O-N 2.87Å; A38-I42 VanDerWaalsContact O-N 3.07Å; I42-L50 HydrophobicContact CD1-CB 4Å; I42-L91 HydrophobicContact CB-CB 3.99Å; I42-L91 HydrophobicContact CD1-CB 4.09Å; I42-L91 WeakPolarHBondContact CD1-O 3.36Å; I42-L91 HydrophobicContact CG1-CB 4.08Å; I42-K93 HydrophobicContact CD1-CG 4.08Å; I42-K93 HydrophobicContact CG1-CG 3.99Å; I42-K93 WeakPolarHBondContact O-CE 3.45Å; I42-V137 HydrophobicContact CG2-CG2 3.82Å |
| 43 | T | 79.5 | Confident | 83.9 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -75 | -30.1 | 175.7 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | Y39 R40 M41 | Y39-T43 HydrophobicContact CD1-CG2 4.25Å; Y39-T43 HydrophobicContact CE1-CG2 3.95Å; Y39-T43 HydrophobicContact CE2-CG2 4.24Å; Y39-T43 WeakPolarHBondContact O-CB 3.36Å; Y39-T43 WeakPolarHBondContact O-CG2 3.39Å; Y39-T43 PolarHBondContact O-N 3.5Å; Y39-T43 VanDerWaalsContact O-N 3.07Å; Y39-T43 PolarHBondContact O-OG1 2.98Å; R40-T43 PolarHBondContact O-OG1 3.38Å; M41-T43 PolarHBondContact O-N 3.1Å |
| 44 | R | 81.5 | Confident | 84.3 | Confident | 123 Ų | 123 | 55.2 Ų | 55.2 | 46% | 0.464 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -84.7 | -22.7 | 172.4 | -70.1 | -179.9 | 175.7 | -177.7 | 0.5 | 113.5 | R40 M41 | R40-R44 VanDerWaalsContact O-CB 3.28Å; R40-R44 WeakPolarHBondContact O-CB 3.31Å; R40-R44 VanDerWaalsContact O-CG 3.28Å; R40-R44 WeakPolarHBondContact O-CG 3.36Å; R40-R44 PolarHBondContact O-N 3.09Å; R40-R44 VanDerWaalsContact O-N 3.12Å; M41-R44 PolarHBondContact O-N 3.07Å |
| 45 | C | 80.4 | Confident | 84.4 | Confident | 26 Ų | 26 | 55 Ų | 55 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | trans | -62 | 145.5 | 177.9 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | M41 Q47 K93 | M41-C45 VanDerWaalsContact O-CB 3.3Å; M41-C45 WeakPolarHBondContact O-CB 3.37Å; M41-C45 PolarHBondContact O-N 3.33Å; C45-Q47 PolarHBondContact SG-N 3Å; C45-Q47 VanDerWaalsContact SG-N 3.45Å; C45-K93 WeakPolarHBondContact O-CE 3.47Å; C45-K93 PolarHBondContact O-NZ 3.34Å | ||
| 46 | Q | 78.6 | Confident | 84.4 | Confident | 191 Ų | 191 | 55 Ų | 55 | 89% | 0.893 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -80.3 | -37.5 | 172.9 | -67.8 | -177 | -4.4 | 0 | 0 | 112.2 | K93 | Q46-K93 PolarHBondContact O-NZ 3.28Š|
| 47 | Q | 80.2 | Confident | 84.5 | Confident | 130 Ų | 130 | 56.3 Ų | 56.3 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -65.7 | 164 | -178 | -63.8 | 173.5 | -19.3 | 0 | 0 | 112.9 | C45 S49 K93 | C45-Q47 PolarHBondContact SG-N 3Å; C45-Q47 VanDerWaalsContact SG-N 3.45Å; Q47-S49 VanDerWaalsContact CB-O 3.31Å; Q47-S49 WeakPolarHBondContact CB-O 3.45Å; Q47-K93 WeakPolarHBondContact O-CE 3.49Å; Q47-K93 PolarHBondContact O-NZ 3.06Å |
| 48 | N | 82.2 | Confident | 84.2 | Confident | 96 Ų | 96 | 56.5 Ų | 56.5 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -80.9 | -29.1 | 179.9 | -78 | -19.7 | 0 | 0 | 0 | 113.6 | A92 K93 | N48-A92 WeakPolarHBondContact O-CA 3.08Å; N48-K93 PolarHBondContact O-N 3.44Å |
| 49 | S | 83.8 | Confident | 83.5 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 27% | 0.266 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 164.9 | 163.6 | 71.1 | 0 | 0 | 0 | 0 | 111 | Q47 E90 L91 | Q47-S49 VanDerWaalsContact CB-O 3.31Å; Q47-S49 WeakPolarHBondContact CB-O 3.45Å; S49-E90 WeakPolarHBondContact CB-OE1 3.34Å; S49-E90 PolarHBondContact OG-OE1 3.11Å; S49-L91 CarbonylContact C-O 3.57Å; S49-L91 WeakPolarHBondContact CA-O 3.49Å; S49-L91 VanDerWaalsContact CB-O 3.23Å; S49-L91 WeakPolarHBondContact CB-O 3.23Å |
| 50 | L | 86.4 | Confident | 82.8 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 120.6 | 177.5 | 179.4 | 68.4 | 0 | 0 | 0 | 107.6 | M41 I42 T52 Q75 L91 | M41-L50 HydrophobicContact CB-CD2 3.87Å; M41-L50 HydrophobicContact CE-CD2 4.19Å; I42-L50 HydrophobicContact CD1-CB 4Å; L50-T52 HydrophobicContact CD2-CG2 3.9Å; L50-T52 HydrophobicContact CG-CG2 3.85Å; L50-Q75 HydrophobicContact CD1-CG 4.29Å; L50-L91 HydrophobicContact CB-CB 4.41Å; L50-L91 PolarHBondContact N-O 2.97Å; L50-L91 PolarHBondContact O-N 3.44Å |
| 51 | K | 87.3 | Confident | 81.9 | Confident | 135 Ų | 135 | 55.1 Ų | 55.1 | 59% | 0.587 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 132.4 | 172.6 | -64.7 | -172.2 | 177.5 | -173.9 | 0 | 109.2 | E90 | K51-E90 WeakPolarHBondContact CE-OE1 3.31Å; K51-E90 WeakPolarHBondContact CE-OE2 3.14Å; K51-E90 IonicContact NZ-OE2 3.38Å |
| 52 | T | 89 | Confident | 80.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 173.8 | -176.2 | 60.8 | 0 | 0 | 0 | 0 | 109.6 | M41 L50 I73 E74 F89 L91 | M41-T52 HydrophobicContact CE-CG2 3.69Å; L50-T52 HydrophobicContact CD2-CG2 3.9Å; L50-T52 HydrophobicContact CG-CG2 3.85Å; T52-I73 HydrophobicContact CG2-CD1 4.31Å; T52-E74 CarbonylContact C-O 3.54Å; T52-E74 VanDerWaalsContact CA-O 3.3Å; T52-E74 WeakPolarHBondContact CA-O 3.39Å; T52-E74 VanDerWaalsContact CB-O 3.28Å; T52-E74 WeakPolarHBondContact CB-O 3.47Å; T52-F89 CarbonylContact C-O 3.53Å; T52-F89 PolarHBondContact N-O 2.88Å; T52-F89 PolarHBondContact O-N 3.18Å; T52-F89 VanDerWaalsContact O-O 3.13Å; T52-F89 VanDerWaalsContact OG1-CD1 3.26Å; T52-F89 WeakPolarHBondContact OG1-CD1 3.28Å; T52-F89 PolarHBondContact OG1-O 3.09Å; T52-L91 HydrophobicContact CG2-CD1 3.97Å |
| 53 | Y | 89.7 | Confident | 79.2 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 26% | 0.255 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124.3 | 178 | -59.6 | -73.4 | 0 | 0 | 0 | 109.5 | I73 E74 K77 L86 I87 | Y53-I73 CarbonylContact O-C 3.56Å; Y53-I73 WeakPolarHBondContact O-CA 3.22Å; Y53-E74 PolarHBondContact N-O 2.87Å; Y53-E74 PolarHBondContact O-N 2.85Å; Y53-K77 HydrophobicContact CD2-CB 4.18Å; Y53-K77 HydrophobicContact CE2-CB 3.89Å; Y53-L86 HydrophobicContact CD1-CD1 3.66Å; Y53-L86 HydrophobicContact CD1-CD2 3.64Å; Y53-L86 HydrophobicContact CD1-CG 3.72Å; Y53-L86 HydrophobicContact CE1-CD1 4.39Å; Y53-L86 HydrophobicContact CE1-CD2 4.09Å; Y53-L86 HydrophobicContact CG-CD1 3.72Å; Y53-L86 HydrophobicContact CG-CG 4.12Å; Y53-I87 WeakPolarHBondContact CA-O 3.47Å |
| 54 | L | 90.4 | Very high | 78.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 137.3 | 166.4 | -63.5 | 175.5 | 0 | 0 | 0 | 108.2 | F28 I30 V34 I70 I73 I87 F89 A133 | F28-L54 HydrophobicContact CZ-CD1 4.02Å; I30-L54 HydrophobicContact CD1-CD1 4.07Å; I30-L54 HydrophobicContact CD1-CD2 4.01Å; V34-L54 HydrophobicContact CG1-CD2 3.83Å; L54-I70 HydrophobicContact CB-CG2 3.79Å; L54-I70 HydrophobicContact CD1-CG2 4.4Å; L54-I70 HydrophobicContact CD2-CG2 4.01Å; L54-I70 HydrophobicContact CG-CG2 4.27Å; L54-I73 HydrophobicContact CD2-CB 3.78Å; L54-I73 HydrophobicContact CD2-CD1 4.05Å; L54-I73 HydrophobicContact CD2-CG1 3.92Å; L54-I87 HydrophobicContact CB-CB 4.23Å; L54-I87 PolarHBondContact N-O 3.16Å; L54-I87 PolarHBondContact O-N 2.89Å; L54-F89 HydrophobicContact CD1-CB 4.06Å; L54-F89 HydrophobicContact CD1-CD1 3.84Å; L54-F89 HydrophobicContact CD1-CD2 4.23Å; L54-F89 HydrophobicContact CD1-CE1 4.28Å; L54-F89 HydrophobicContact CD1-CG 3.81Å; L54-F89 HydrophobicContact CD2-CD1 3.64Å; L54-F89 HydrophobicContact CD2-CE1 4.03Å; L54-F89 HydrophobicContact CD2-CG 4.37Å; L54-F89 HydrophobicContact CG-CB 3.78Å; L54-F89 HydrophobicContact CG-CD1 3.6Å; L54-F89 HydrophobicContact CG-CE1 4.32Å; L54-F89 HydrophobicContact CG-CG 3.82Å; L54-A133 HydrophobicContact CD1-CB 4.34Å |
| 55 | Y | 88.3 | Confident | 77.6 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.2 | 173.2 | -65.2 | -109.4 | 0 | 0 | 0 | 109.9 | N71 R72 E74 Q78 F85 L86 | Y55-N71 PolarHBondContact O-N 3.16Å; Y55-R72 HydrophobicContact CD2-CG 4.15Å; Y55-R72 HydrophobicContact CG-CG 4.22Å; Y55-R72 PolarHBondContact N-O 2.97Å; Y55-R72 PolarHBondContact O-N 3.2Å; Y55-E74 HydrophobicContact CD2-CG 4.12Å; Y55-E74 HydrophobicContact CE2-CB 3.98Å; Y55-E74 VanDerWaalsContact CE2-CD 3.41Å; Y55-E74 HydrophobicContact CE2-CG 3.73Å; Y55-E74 WeakPolarHBondContact CE2-OE1 3.22Å; Y55-Q78 PolarHBondContact OH-N 2.9Å; Y55-Q78 PolarHBondContact OH-O 3.37Å; Y55-F85 WeakPolarHBondContact CA-O 3.47Å; Y55-L86 HydrophobicContact CD1-CB 4.36Å; Y55-L86 HydrophobicContact CE1-CB 4.24Å; Y55-L86 HydrophobicContact CE1-CD1 4.03Å; Y55-L86 HydrophobicContact CE2-CD1 4.31Å |
| 56 | G | 84.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | -178.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I69 E84 F85 | G56-I69 CarbonylContact C-O 3.57Å; G56-I69 WeakPolarHBondContact CA-O 3.23Å; G56-E84 WeakPolarHBondContact O-CA 3.44Å; G56-F85 PolarHBondContact N-O 2.82Å; G56-F85 VanDerWaalsContact N-O 3.14Å; G56-F85 WeakPolarHBondContact O-CD1 3.24Å; G56-F85 PolarHBondContact O-N 2.97Å |
| 57 | R | 83.7 | Confident | 77.6 | Confident | 104 Ų | 104 | 42.7 Ų | 42.7 | 39% | 0.392 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 152.8 | 179 | -53.3 | -169.7 | -172.1 | -177.2 | -1.8 | 109.8 | I69 D83 E84 | R57-I69 PolarHBondContact N-O 2.91Å; R57-I69 PolarHBondContact O-N 3.13Å; R57-D83 WeakPolarHBondContact CG-O 3.04Å; R57-E84 HydrophobicContact CG-CG 3.84Å; R57-E84 IonicContact CZ-OE1 3.38Å; R57-E84 IonicContact NE-OE1 3.83Å; R57-E84 PolarHBondContact NE-OE1 2.92Å; R57-E84 IonicContact NH2-OE1 3.72Å; R57-E84 PolarHBondContact NH2-OE1 3.41Å |
| 58 | Y | 78.3 | Confident | 77.9 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 11% | 0.114 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 145.8 | 170.6 | -61.4 | -76.5 | 0 | 0 | 0 | 109.7 | L66 N67 V68 F85 I125 T126 F131 | Y58-L66 HydrophobicContact CD1-CD1 3.68Å; Y58-L66 HydrophobicContact CD1-CD2 4.17Å; Y58-L66 HydrophobicContact CD1-CG 4.07Å; Y58-L66 HydrophobicContact CE1-CD2 4.25Å; Y58-L66 HydrophobicContact CG-CD1 4.24Å; Y58-N67 CarbonylContact C-O 3.45Å; Y58-N67 WeakPolarHBondContact CA-O 3.34Å; Y58-V68 HydrophobicContact CD1-CG2 3.8Å; Y58-V68 HydrophobicContact CE1-CG2 3.68Å; Y58-F85 AromaticContact CD1-CE1 3.9Å; Y58-F85 HydrophobicContact CD1-CE1 3.9Å; Y58-F85 HydrophobicContact CD1-CZ 4.04Å; Y58-F85 AromaticContact CD2-CD1 3.72Å; Y58-F85 HydrophobicContact CD2-CD1 3.72Å; Y58-F85 AromaticContact CD2-CE1 3.58Å; Y58-F85 HydrophobicContact CD2-CE1 3.58Å; Y58-F85 HydrophobicContact CD2-CZ 4.36Å; Y58-F85 HydrophobicContact CE1-CD1 4.47Å; Y58-F85 AromaticContact CE1-CE1 3.7Å; Y58-F85 HydrophobicContact CE1-CE1 3.7Å; Y58-F85 HydrophobicContact CE1-CE2 4.14Å; Y58-F85 AromaticContact CE1-CZ 3.48Å; Y58-F85 HydrophobicContact CE1-CZ 3.48Å; Y58-F85 VanDerWaalsContact CE1-CZ 3.48Å; Y58-F85 HydrophobicContact CE2-CB 4.46Å; Y58-F85 AromaticContact CE2-CD1 3.3Å; Y58-F85 HydrophobicContact CE2-CD1 3.3Å; Y58-F85 HydrophobicContact CE2-CD2 4.27Å; Y58-F85 AromaticContact CE2-CE1 3.33Å; Y58-F85 HydrophobicContact CE2-CE1 3.33Å; Y58-F85 HydrophobicContact CE2-CE2 4.27Å; Y58-F85 AromaticContact CE2-CG 3.79Å; Y58-F85 HydrophobicContact CE2-CG 3.79Å; Y58-F85 AromaticContact CE2-CZ 3.82Å; Y58-F85 HydrophobicContact CE2-CZ 3.82Å; Y58-F85 HydrophobicContact CG-CD1 4.44Å; Y58-F85 AromaticContact CG-CE1 3.86Å; Y58-F85 HydrophobicContact CG-CE1 3.86Å; Y58-F85 HydrophobicContact CG-CZ 4.46Å; Y58-F85 AromaticContact CZ-CD1 3.74Å; Y58-F85 AromaticContact CZ-CE1 3.4Å; Y58-F85 AromaticContact CZ-CE2 3.68Å; Y58-F85 AromaticContact CZ-CZ 3.35Å; Y58-F85 WeakPolarHBondContact OH-CE2 3.14Å; Y58-I125 HydrophobicContact CD1-CD1 4.08Å; Y58-I125 HydrophobicContact CD2-CD1 4.29Å; Y58-I125 HydrophobicContact CD2-CG1 4.3Å; Y58-I125 HydrophobicContact CE1-CD1 4.33Å; Y58-I125 HydrophobicContact CE2-CG1 4.41Å; Y58-I125 HydrophobicContact CG-CD1 4.05Å; Y58-T126 HydrophobicContact CE2-CG2 3.7Å; Y58-F131 AromaticContact CE1-CE2 3.81Å; Y58-F131 HydrophobicContact CE1-CE2 3.81Å; Y58-F131 HydrophobicContact CE1-CZ 4.29Å; Y58-F131 WeakPolarHBondContact OH-CE2 3.43Å |
| 59 | S | 73.5 | Confident | 78.1 | Confident | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 130.3 | 169.9 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | N67 D211 | S59-N67 PolarHBondContact N-O 3.36Å; S59-N67 WeakPolarHBondContact O-CB 3.33Å; S59-N67 PolarHBondContact O-N 3.21Å; S59-D211 WeakPolarHBondContact CB-OD2 3.39Å; S59-D211 PolarHBondContact OG-OD1 3.27Å; S59-D211 PolarHBondContact OG-OD2 3.29Å |
| 60 | F | 69.1 | Low | 78.4 | Confident | 60 Ų | 60 | 31.9 Ų | 31.9 | 26% | 0.263 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 109 | -170.7 | -67.1 | -80.9 | 0 | 0 | 0 | 111.1 | G62 L66 I125 F258 | F60-G62 PolarHBondContact O-N 2.9Å; F60-L66 HydrophobicContact CD1-CD1 3.85Å; F60-L66 HydrophobicContact CE1-CD1 3.6Å; F60-L66 HydrophobicContact CZ-CD1 4.23Å; F60-I125 HydrophobicContact CE1-CD1 3.77Å; F60-I125 HydrophobicContact CZ-CD1 3.49Å; F60-I125 VanDerWaalsContact CZ-CD1 3.49Å; F60-I125 HydrophobicContact CZ-CG1 4.09Å; F60-F258 AromaticContact CD1-CD2 3.78Å; F60-F258 HydrophobicContact CD1-CD2 3.78Å; F60-F258 HydrophobicContact CE1-CB 3.94Å; F60-F258 AromaticContact CE1-CD2 3.77Å; F60-F258 HydrophobicContact CE1-CD2 3.77Å; F60-F258 HydrophobicContact CE1-CG 4.25Å |
| 61 | V | 63.2 | Low | 78.3 | Confident | 42 Ų | 42 | 34 Ų | 34 | 26% | 0.255 | 18% | 0.176 | S | C | . | . | trans | -100.4 | 77.5 | -177.8 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | S65 N67 L207 | V61-S65 PolarHBondContact N-O 2.96Å; V61-S65 WeakPolarHBondContact O-CB 3.33Å; V61-N67 VanDerWaalsContact CG2-ND2 3.29Å; V61-N67 WeakPolarHBondContact CG2-ND2 3.4Å; V61-L207 HydrophobicContact CG1-CD2 3.99Å | ||
| 62 | G | 58.6 | Low | 78.3 | Confident | 37 Ų | 37 | 31 Ų | 31 | 38% | 0.381 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | 67.8 | -166.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F60 S64 | F60-G62 PolarHBondContact O-N 2.9Å; G62-S64 PolarHBondContact O-N 3.4Å |
| 63 | V | 54.5 | Low | 78.3 | Confident | 59 Ų | 59 | 31.5 Ų | 31.5 | 36% | 0.358 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -42.7 | -33.5 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 115.2 | E254 C256 | V63-E254 WeakPolarHBondContact CG2-OE2 3.31Å; V63-E254 PolarHBondContact N-OE2 2.95Å; V63-C256 HydrophobicContact CB-CB 4.42Å; V63-C256 HydrophobicContact CG1-CB 3.75Å; V63-C256 HydrophobicContact CG2-CB 4.26Å |
| 64 | S | 61 | Low | 78.2 | Confident | 50 Ų | 50 | 29.6 Ų | 29.6 | 35% | 0.35 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -131.3 | 1.7 | -151.6 | 49.1 | 0 | 0 | 0 | 0 | 116 | Q23 S25 G62 | Q23-S64 WeakPolarHBondContact O-CB 3.49Å; S25-S64 PolarHBondContact N-O 3.23Å; S25-S64 PolarHBondContact OG-O 3.12Å; G62-S64 PolarHBondContact O-N 3.4Å |
| 65 | S | 67.5 | Low | 77.7 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 116 | -179.8 | -67.6 | 0 | 0 | 0 | 0 | 112.9 | S25 K27 V61 | S25-S65 WeakPolarHBondContact O-CA 3.46Å; S25-S65 PolarHBondContact OG-OG 3.39Å; K27-S65 PolarHBondContact NZ-OG 3.48Å; V61-S65 PolarHBondContact N-O 2.96Å; V61-S65 WeakPolarHBondContact O-CB 3.33Å |
| 66 | L | 77.5 | Confident | 77.2 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 107.7 | 167.9 | -179.7 | 63.2 | 0 | 0 | 0 | 109.3 | S25 V26 K27 Y58 F60 I125 I129 | S25-L66 PolarHBondContact O-N 3.1Å; V26-L66 CarbonylContact C-O 3.54Å; V26-L66 WeakPolarHBondContact CA-O 3.36Å; V26-L66 HydrophobicContact CG1-CD2 4.33Å; V26-L66 HydrophobicContact CG2-CB 4.31Å; V26-L66 HydrophobicContact CG2-CD2 4.4Å; K27-L66 PolarHBondContact N-O 3.47Å; Y58-L66 HydrophobicContact CD1-CD1 3.68Å; Y58-L66 HydrophobicContact CD1-CD2 4.17Å; Y58-L66 HydrophobicContact CD1-CG 4.07Å; Y58-L66 HydrophobicContact CE1-CD2 4.25Å; Y58-L66 HydrophobicContact CG-CD1 4.24Å; F60-L66 HydrophobicContact CD1-CD1 3.85Å; F60-L66 HydrophobicContact CE1-CD1 3.6Å; F60-L66 HydrophobicContact CZ-CD1 4.23Å; L66-I125 HydrophobicContact CD1-CD1 3.75Å; L66-I125 HydrophobicContact CD2-CD1 4.05Å; L66-I129 HydrophobicContact CD2-CD1 3.87Å |
| 67 | N | 81.9 | Confident | 76.6 | Confident | 21 Ų | 21 | 48 Ų | 48 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 135 | 172.9 | -65.5 | -16.2 | 0 | 0 | 0 | 110 | M29 Y58 S59 V61 I69 | M29-N67 HydrophobicContact SD-CB 4.33Å; Y58-N67 CarbonylContact C-O 3.45Å; Y58-N67 WeakPolarHBondContact CA-O 3.34Å; S59-N67 PolarHBondContact N-O 3.36Å; S59-N67 WeakPolarHBondContact O-CB 3.33Å; S59-N67 PolarHBondContact O-N 3.21Å; V61-N67 VanDerWaalsContact CG2-ND2 3.29Å; V61-N67 WeakPolarHBondContact CG2-ND2 3.4Å; N67-I69 HydrophobicContact CB-CG1 4.35Å |
| 68 | V | 85.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 110.5 | 171.4 | 164.1 | 0 | 0 | 0 | 0 | 107.5 | K27 F28 M29 Y58 I70 F85 I87 F131 | K27-V68 PolarHBondContact O-N 3.48Å; F28-V68 HydrophobicContact CD2-CB 4.24Å; F28-V68 HydrophobicContact CD2-CG1 3.63Å; F28-V68 HydrophobicContact CE2-CG1 3.87Å; M29-V68 WeakPolarHBondContact CA-O 3.1Å; M29-V68 WeakPolarHBondContact CB-O 3.43Å; M29-V68 PolarHBondContact N-O 3.07Å; M29-V68 VanDerWaalsContact O-O 3.13Å; Y58-V68 HydrophobicContact CD1-CG2 3.8Å; Y58-V68 HydrophobicContact CE1-CG2 3.68Å; V68-I70 HydrophobicContact CG1-CD1 3.62Å; V68-I70 HydrophobicContact CG1-CG1 4.23Å; V68-F85 HydrophobicContact CB-CZ 4.29Å; V68-F85 HydrophobicContact CG1-CE2 4.35Å; V68-F85 HydrophobicContact CG1-CZ 3.61Å; V68-F85 HydrophobicContact CG2-CZ 3.93Å; V68-I87 HydrophobicContact CG1-CD1 4.28Å; V68-F131 HydrophobicContact CG2-CE1 4.02Å; V68-F131 HydrophobicContact CG2-CE2 4.11Å; V68-F131 HydrophobicContact CG2-CZ 3.56Å |
| 69 | I | 86.4 | Confident | 74.8 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.185 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 106 | -172.9 | -53.3 | 178.1 | 0 | 0 | 0 | 109.6 | M29 G56 R57 N67 Y365 | M29-I69 HydrophobicContact SD-CG1 4.49Å; G56-I69 CarbonylContact C-O 3.57Å; G56-I69 WeakPolarHBondContact CA-O 3.23Å; R57-I69 PolarHBondContact N-O 2.91Å; R57-I69 PolarHBondContact O-N 3.13Å; N67-I69 HydrophobicContact CB-CG1 4.35Å; I69-Y365 HydrophobicContact CG2-CD1 4.43Å; I69-Y365 HydrophobicContact CG2-CE1 3.74Å |
| 70 | I | 88.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118 | -178.7 | -51.8 | -52.9 | 0 | 0 | 0 | 110.6 | F28 M29 I30 R31 V34 L54 V68 I87 | F28-I70 HydrophobicContact CE1-CG1 4.01Å; F28-I70 HydrophobicContact CE2-CD1 4.03Å; F28-I70 HydrophobicContact CE2-CG1 3.92Å; F28-I70 HydrophobicContact CZ-CD1 4.08Å; F28-I70 HydrophobicContact CZ-CG1 3.56Å; M29-I70 WeakPolarHBondContact O-CB 3.22Å; M29-I70 WeakPolarHBondContact O-CG1 3.33Å; M29-I70 PolarHBondContact O-N 3.28Å; I30-I70 HydrophobicContact CB-CB 4.11Å; I30-I70 HydrophobicContact CD1-CB 4.3Å; I30-I70 HydrophobicContact CD1-CG2 3.92Å; I30-I70 HydrophobicContact CG1-CB 3.87Å; I30-I70 HydrophobicContact CG1-CG2 3.85Å; R31-I70 PolarHBondContact N-O 3.01Å; V34-I70 HydrophobicContact CG1-CG2 4.3Å; L54-I70 HydrophobicContact CB-CG2 3.79Å; L54-I70 HydrophobicContact CD1-CG2 4.4Å; L54-I70 HydrophobicContact CD2-CG2 4.01Å; L54-I70 HydrophobicContact CG-CG2 4.27Å; V68-I70 HydrophobicContact CG1-CD1 3.62Å; V68-I70 HydrophobicContact CG1-CG1 4.23Å; I70-I87 HydrophobicContact CD1-CD1 3.62Å |
| 71 | N | 86 | Confident | 73.9 | Confident | 55 Ų | 55 | 55 Ų | 55 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -17.2 | -173.5 | -69.4 | -39.7 | 0 | 0 | 0 | 114.3 | R31 V34 Y55 | R31-N71 PolarHBondContact NE-OD1 3.48Å; V34-N71 VanDerWaalsContact CG2-C 3.47Å; V34-N71 VanDerWaalsContact CG2-O 3.31Å; V34-N71 WeakPolarHBondContact CG2-O 3.46Å; Y55-N71 PolarHBondContact O-N 3.16Å |
| 72 | R | 87.3 | Confident | 73.7 | Confident | 71 Ų | 71 | 59 Ų | 59 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 161.6 | 172.7 | 68.1 | 175.6 | -174.4 | -89.1 | -3.1 | 113.9 | Y55 E74 E84 | Y55-R72 HydrophobicContact CD2-CG 4.15Å; Y55-R72 HydrophobicContact CG-CG 4.22Å; Y55-R72 PolarHBondContact N-O 2.97Å; Y55-R72 PolarHBondContact O-N 3.2Å; R72-E74 WeakPolarHBondContact CD-OE1 3.14Å; R72-E74 IonicContact CZ-OE1 3.9Å; R72-E74 IonicContact NE-OE1 3.2Å; R72-E74 PolarHBondContact NE-OE1 3.49Å; R72-E74 IonicContact NH2-OE1 2.99Å; R72-E84 IonicContact CZ-OE2 3.93Å; R72-E84 IonicContact NH1-OE1 2.7Å; R72-E84 PolarHBondContact NH1-OE1 3.36Å; R72-E84 IonicContact NH1-OE2 2.81Å; R72-E84 PolarHBondContact NH1-OE2 2.9Å; R72-E84 IonicContact NH2-OE2 3Å; R72-E84 PolarHBondContact NH2-OE2 3.1Å |
| 73 | I | 88.7 | Confident | 74 | Confident | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 139.8 | 170.6 | -177 | 172.5 | 0 | 0 | 0 | 109.3 | V34 L37 A38 M41 T52 Y53 L54 F89 L91 | V34-I73 HydrophobicContact CG1-CB 3.71Å; V34-I73 HydrophobicContact CG1-CG2 3.81Å; L37-I73 HydrophobicContact CB-CG2 4.04Å; L37-I73 HydrophobicContact CD2-CG2 3.65Å; L37-I73 HydrophobicContact CG-CG2 3.72Å; A38-I73 HydrophobicContact CB-CD1 3.62Å; M41-I73 HydrophobicContact SD-CD1 4.08Å; M41-I73 HydrophobicContact SD-CG1 4.29Å; M41-I73 HydrophobicContact SD-CG2 4.18Å; T52-I73 HydrophobicContact CG2-CD1 4.31Å; Y53-I73 CarbonylContact O-C 3.56Å; Y53-I73 WeakPolarHBondContact O-CA 3.22Å; L54-I73 HydrophobicContact CD2-CB 3.78Å; L54-I73 HydrophobicContact CD2-CD1 4.05Å; L54-I73 HydrophobicContact CD2-CG1 3.92Å; I73-F89 HydrophobicContact CD1-CD1 3.69Å; I73-F89 HydrophobicContact CD1-CE1 3.78Å; I73-L91 HydrophobicContact CD1-CD1 4.14Å |
| 74 | E | 86.4 | Confident | 74.9 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.5 | 177.1 | -54.6 | -176.9 | -154.2 | 0 | 0 | 111.5 | T52 Y53 Y55 R72 Q78 | T52-E74 CarbonylContact C-O 3.54Å; T52-E74 VanDerWaalsContact CA-O 3.3Å; T52-E74 WeakPolarHBondContact CA-O 3.39Å; T52-E74 VanDerWaalsContact CB-O 3.28Å; T52-E74 WeakPolarHBondContact CB-O 3.47Å; Y53-E74 PolarHBondContact N-O 2.87Å; Y53-E74 PolarHBondContact O-N 2.85Å; Y55-E74 HydrophobicContact CD2-CG 4.12Å; Y55-E74 HydrophobicContact CE2-CB 3.98Å; Y55-E74 VanDerWaalsContact CE2-CD 3.41Å; Y55-E74 HydrophobicContact CE2-CG 3.73Å; Y55-E74 WeakPolarHBondContact CE2-OE1 3.22Å; R72-E74 WeakPolarHBondContact CD-OE1 3.14Å; R72-E74 IonicContact CZ-OE1 3.9Å; R72-E74 IonicContact NE-OE1 3.2Å; R72-E74 PolarHBondContact NE-OE1 3.49Å; R72-E74 IonicContact NH2-OE1 2.99Å; E74-Q78 VanDerWaalsContact OE2-CB 3.27Å; E74-Q78 WeakPolarHBondContact OE2-CB 3.47Å; E74-Q78 VanDerWaalsContact OE2-CD 3.26Å; E74-Q78 WeakPolarHBondContact OE2-CG 3.4Å; E74-Q78 PolarHBondContact OE2-NE2 2.98Å |
| 75 | Q | 80.7 | Confident | 75.7 | Confident | 115 Ų | 115 | 59.3 Ų | 59.3 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -85.9 | -33.6 | 176.2 | -174.1 | 174.7 | -10.9 | 0 | 0 | 112.6 | M41 L50 | M41-Q75 HydrophobicContact CE-CB 4Å; L50-Q75 HydrophobicContact CD1-CG 4.29Å |
| 76 | N | 77.2 | Confident | 76.5 | Confident | 119 Ų | 119 | 60.8 Ų | 60.8 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -106.7 | 155.1 | 178.4 | -66.6 | -24.8 | 0 | 0 | 0 | 109.8 | Q78 | N76-Q78 PolarHBondContact O-N 3.37Å; N76-Q78 VanDerWaalsContact O-N 3.14Å |
| 77 | K | 73.1 | Confident | 77 | Confident | 155 Ų | 155 | 60.7 Ų | 60.7 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | trans | -79.4 | 91.4 | 173.6 | 179.8 | 169.9 | -178.5 | 179.5 | 0 | 109.9 | Y53 L86 | Y53-K77 HydrophobicContact CD2-CB 4.18Å; Y53-K77 HydrophobicContact CE2-CB 3.89Å; K77-L86 HydrophobicContact CB-CD1 4.4Å; K77-L86 HydrophobicContact CD-CD1 4.09Å; K77-L86 HydrophobicContact CG-CD1 3.74Å | ||
| 78 | Q | 64.2 | Low | 77.3 | Confident | 123 Ų | 123 | 62.7 Ų | 62.7 | 58% | 0.575 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 163.2 | 163.9 | -66.4 | -173.9 | 79.4 | 0 | 0 | 110.9 | Y55 E74 N76 S80 | Y55-Q78 PolarHBondContact OH-N 2.9Å; Y55-Q78 PolarHBondContact OH-O 3.37Å; E74-Q78 VanDerWaalsContact OE2-CB 3.27Å; E74-Q78 WeakPolarHBondContact OE2-CB 3.47Å; E74-Q78 VanDerWaalsContact OE2-CD 3.26Å; E74-Q78 WeakPolarHBondContact OE2-CG 3.4Å; E74-Q78 PolarHBondContact OE2-NE2 2.98Å; N76-Q78 PolarHBondContact O-N 3.37Å; N76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-S80 PolarHBondContact O-N 2.79Å |
| 79 | S | 59.6 | Low | 77.4 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 126.1 | 169.5 | 49.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 80 | S | 60.4 | Low | 77.5 | Confident | 60 Ų | 60 | 63.3 Ų | 63.3 | 42% | 0.42 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 156.1 | 165.5 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | Q78 E84 | Q78-S80 PolarHBondContact O-N 2.79Å; S80-E84 WeakPolarHBondContact CB-O 3.33Å; S80-E84 PolarHBondContact OG-O 3.38Å |
| 81 | T | 63.7 | Low | 77.4 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 34% | 0.344 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 164.5 | 161.4 | 68.8 | 0 | 0 | 0 | 0 | 109.6 | D83 E84 | T81-D83 PolarHBondContact O-N 3.09Å; T81-D83 VanDerWaalsContact O-N 3.11Å; T81-E84 PolarHBondContact N-OE2 3.15Å; T81-E84 PolarHBondContact O-N 3.43Å; T81-E84 WeakPolarHBondContact OG1-CG 3.47Å; T81-E84 PolarHBondContact OG1-OE2 2.76Å |
| 82 | P | 58.3 | Low | 77.4 | Confident | 125 Ų | 125 | 60.7 Ų | 60.7 | 81% | 0.812 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.9 | -173.2 | -29.2 | 37.4 | 0 | 0 | 0 | 115 | ||
| 83 | D | 64.6 | Low | 77 | Confident | 112 Ų | 112 | 59.5 Ų | 59.5 | 60% | 0.599 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 4.7 | -177.2 | -34 | -68.5 | 0 | 0 | 0 | 113.6 | R57 T81 | R57-D83 WeakPolarHBondContact CG-O 3.04Å; T81-D83 PolarHBondContact O-N 3.09Å; T81-D83 VanDerWaalsContact O-N 3.11Å |
| 84 | E | 74 | Confident | 76.3 | Confident | 22 Ų | 22 | 64 Ų | 64 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | trans | -107.1 | 130.6 | -177 | -75.8 | 172.7 | 172.9 | 0 | 0 | 111.9 | G56 R57 R72 S80 T81 | G56-E84 WeakPolarHBondContact O-CA 3.44Å; R57-E84 HydrophobicContact CG-CG 3.84Å; R57-E84 IonicContact CZ-OE1 3.38Å; R57-E84 IonicContact NE-OE1 3.83Å; R57-E84 PolarHBondContact NE-OE1 2.92Å; R57-E84 IonicContact NH2-OE1 3.72Å; R57-E84 PolarHBondContact NH2-OE1 3.41Å; R72-E84 IonicContact CZ-OE2 3.93Å; R72-E84 IonicContact NH1-OE1 2.7Å; R72-E84 PolarHBondContact NH1-OE1 3.36Å; R72-E84 IonicContact NH1-OE2 2.81Å; R72-E84 PolarHBondContact NH1-OE2 2.9Å; R72-E84 IonicContact NH2-OE2 3Å; R72-E84 PolarHBondContact NH2-OE2 3.1Å; S80-E84 WeakPolarHBondContact CB-O 3.33Å; S80-E84 PolarHBondContact OG-O 3.38Å; T81-E84 PolarHBondContact N-OE2 3.15Å; T81-E84 PolarHBondContact O-N 3.43Å; T81-E84 WeakPolarHBondContact OG1-CG 3.47Å; T81-E84 PolarHBondContact OG1-OE2 2.76Å | ||
| 85 | F | 77.2 | Confident | 75.6 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 157 | 171.8 | 71.8 | -80.1 | 0 | 0 | 0 | 111.3 | Y55 G56 Y58 V68 I87 T126 F131 | Y55-F85 WeakPolarHBondContact CA-O 3.47Å; G56-F85 PolarHBondContact N-O 2.82Å; G56-F85 VanDerWaalsContact N-O 3.14Å; G56-F85 WeakPolarHBondContact O-CD1 3.24Å; G56-F85 PolarHBondContact O-N 2.97Å; Y58-F85 AromaticContact CD1-CE1 3.9Å; Y58-F85 HydrophobicContact CD1-CE1 3.9Å; Y58-F85 HydrophobicContact CD1-CZ 4.04Å; Y58-F85 AromaticContact CD2-CD1 3.72Å; Y58-F85 HydrophobicContact CD2-CD1 3.72Å; Y58-F85 AromaticContact CD2-CE1 3.58Å; Y58-F85 HydrophobicContact CD2-CE1 3.58Å; Y58-F85 HydrophobicContact CD2-CZ 4.36Å; Y58-F85 HydrophobicContact CE1-CD1 4.47Å; Y58-F85 AromaticContact CE1-CE1 3.7Å; Y58-F85 HydrophobicContact CE1-CE1 3.7Å; Y58-F85 HydrophobicContact CE1-CE2 4.14Å; Y58-F85 AromaticContact CE1-CZ 3.48Å; Y58-F85 HydrophobicContact CE1-CZ 3.48Å; Y58-F85 VanDerWaalsContact CE1-CZ 3.48Å; Y58-F85 HydrophobicContact CE2-CB 4.46Å; Y58-F85 AromaticContact CE2-CD1 3.3Å; Y58-F85 HydrophobicContact CE2-CD1 3.3Å; Y58-F85 HydrophobicContact CE2-CD2 4.27Å; Y58-F85 AromaticContact CE2-CE1 3.33Å; Y58-F85 HydrophobicContact CE2-CE1 3.33Å; Y58-F85 HydrophobicContact CE2-CE2 4.27Å; Y58-F85 AromaticContact CE2-CG 3.79Å; Y58-F85 HydrophobicContact CE2-CG 3.79Å; Y58-F85 AromaticContact CE2-CZ 3.82Å; Y58-F85 HydrophobicContact CE2-CZ 3.82Å; Y58-F85 HydrophobicContact CG-CD1 4.44Å; Y58-F85 AromaticContact CG-CE1 3.86Å; Y58-F85 HydrophobicContact CG-CE1 3.86Å; Y58-F85 HydrophobicContact CG-CZ 4.46Å; Y58-F85 AromaticContact CZ-CD1 3.74Å; Y58-F85 AromaticContact CZ-CE1 3.4Å; Y58-F85 AromaticContact CZ-CE2 3.68Å; Y58-F85 AromaticContact CZ-CZ 3.35Å; Y58-F85 WeakPolarHBondContact OH-CE2 3.14Å; V68-F85 HydrophobicContact CB-CZ 4.29Å; V68-F85 HydrophobicContact CG1-CE2 4.35Å; V68-F85 HydrophobicContact CG1-CZ 3.61Å; V68-F85 HydrophobicContact CG2-CZ 3.93Å; F85-I87 HydrophobicContact CD2-CD1 4.25Å; F85-I87 HydrophobicContact CD2-CG1 3.85Å; F85-I87 HydrophobicContact CE2-CD1 3.54Å; F85-I87 HydrophobicContact CE2-CG1 3.65Å; F85-I87 HydrophobicContact CZ-CD1 4.24Å; F85-T126 HydrophobicContact CB-CG2 3.87Å; F85-F131 AromaticContact CE2-CD2 3.8Å; F85-F131 HydrophobicContact CE2-CD2 3.8Å; F85-F131 HydrophobicContact CE2-CE2 4.1Å; F85-F131 HydrophobicContact CZ-CE2 4.44Å |
| 86 | L | 85 | Confident | 74.8 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 22% | 0.22 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.6 | -174.6 | 164.7 | 149.4 | 0 | 0 | 0 | 109.6 | Y53 Y55 K77 | Y53-L86 HydrophobicContact CD1-CD1 3.66Å; Y53-L86 HydrophobicContact CD1-CD2 3.64Å; Y53-L86 HydrophobicContact CD1-CG 3.72Å; Y53-L86 HydrophobicContact CE1-CD1 4.39Å; Y53-L86 HydrophobicContact CE1-CD2 4.09Å; Y53-L86 HydrophobicContact CG-CD1 3.72Å; Y53-L86 HydrophobicContact CG-CG 4.12Å; Y55-L86 HydrophobicContact CD1-CB 4.36Å; Y55-L86 HydrophobicContact CE1-CB 4.24Å; Y55-L86 HydrophobicContact CE1-CD1 4.03Å; Y55-L86 HydrophobicContact CE2-CD1 4.31Å; K77-L86 HydrophobicContact CB-CD1 4.4Å; K77-L86 HydrophobicContact CD-CD1 4.09Å; K77-L86 HydrophobicContact CG-CD1 3.74Å |
| 87 | I | 87.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 118.4 | -179.7 | -53.4 | -177.5 | 0 | 0 | 0 | 108 | F28 Y53 L54 V68 I70 F85 F89 F131 A133 | F28-I87 HydrophobicContact CE2-CD1 3.64Å; F28-I87 HydrophobicContact CZ-CD1 4.33Å; Y53-I87 WeakPolarHBondContact CA-O 3.47Å; L54-I87 HydrophobicContact CB-CB 4.23Å; L54-I87 PolarHBondContact N-O 3.16Å; L54-I87 PolarHBondContact O-N 2.89Å; V68-I87 HydrophobicContact CG1-CD1 4.28Å; I70-I87 HydrophobicContact CD1-CD1 3.62Å; F85-I87 HydrophobicContact CD2-CD1 4.25Å; F85-I87 HydrophobicContact CD2-CG1 3.85Å; F85-I87 HydrophobicContact CE2-CD1 3.54Å; F85-I87 HydrophobicContact CE2-CG1 3.65Å; F85-I87 HydrophobicContact CZ-CD1 4.24Å; I87-F89 PolarHBondContact O-N 2.86Å; I87-F131 HydrophobicContact CB-CB 4.43Å; I87-F131 HydrophobicContact CD1-CB 3.86Å; I87-F131 HydrophobicContact CD1-CG 4.18Å; I87-F131 HydrophobicContact CG1-CB 3.98Å; I87-F131 HydrophobicContact CG2-CB 3.74Å; I87-A133 HydrophobicContact CG2-CB 4.39Å |
| 88 | P | 88 | Confident | 72.9 | Confident | 63 Ų | 63 | 59.6 Ų | 59.6 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 126.5 | 170.3 | -22.9 | 34.6 | 0 | 0 | 0 | 110.7 | F131 A133 | P88-F131 WeakPolarHBondContact CD-O 3.42Å; P88-A133 PolarHBondContact O-N 3.31Å |
| 89 | F | 89.2 | Confident | 72.3 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 111.5 | -177 | -179.9 | -142.2 | 0 | 0 | 0 | 110.6 | A38 T52 L54 I73 I87 L91 A133 A135 F163 | A38-F89 HydrophobicContact CB-CE1 3.95Å; T52-F89 CarbonylContact C-O 3.53Å; T52-F89 PolarHBondContact N-O 2.88Å; T52-F89 PolarHBondContact O-N 3.18Å; T52-F89 VanDerWaalsContact O-O 3.13Å; T52-F89 VanDerWaalsContact OG1-CD1 3.26Å; T52-F89 WeakPolarHBondContact OG1-CD1 3.28Å; T52-F89 PolarHBondContact OG1-O 3.09Å; L54-F89 HydrophobicContact CD1-CB 4.06Å; L54-F89 HydrophobicContact CD1-CD1 3.84Å; L54-F89 HydrophobicContact CD1-CD2 4.23Å; L54-F89 HydrophobicContact CD1-CE1 4.28Å; L54-F89 HydrophobicContact CD1-CG 3.81Å; L54-F89 HydrophobicContact CD2-CD1 3.64Å; L54-F89 HydrophobicContact CD2-CE1 4.03Å; L54-F89 HydrophobicContact CD2-CG 4.37Å; L54-F89 HydrophobicContact CG-CB 3.78Å; L54-F89 HydrophobicContact CG-CD1 3.6Å; L54-F89 HydrophobicContact CG-CE1 4.32Å; L54-F89 HydrophobicContact CG-CG 3.82Å; I73-F89 HydrophobicContact CD1-CD1 3.69Å; I73-F89 HydrophobicContact CD1-CE1 3.78Å; I87-F89 PolarHBondContact O-N 2.86Å; F89-L91 HydrophobicContact CD1-CD1 4.45Å; F89-L91 HydrophobicContact CD1-CG 4.23Å; F89-L91 HydrophobicContact CE1-CD1 4.11Å; F89-L91 HydrophobicContact CE1-CD2 3.71Å; F89-L91 HydrophobicContact CE1-CG 3.82Å; F89-L91 HydrophobicContact CE2-CD2 4.27Å; F89-L91 HydrophobicContact CZ-CD2 3.53Å; F89-L91 HydrophobicContact CZ-CG 4.02Å; F89-A133 WeakPolarHBondContact CA-O 3.26Å; F89-A133 HydrophobicContact CB-CB 4.37Å; F89-A133 HydrophobicContact CD2-CB 3.51Å; F89-A133 HydrophobicContact CE2-CB 4.15Å; F89-A133 HydrophobicContact CG-CB 4.27Å; F89-A135 HydrophobicContact CE2-CB 3.81Å; F89-A135 HydrophobicContact CZ-CB 3.93Å; F89-F163 HydrophobicContact CE2-CE2 4.04Å; F89-F163 AromaticContact CZ-CE2 3.93Å; F89-F163 HydrophobicContact CZ-CE2 3.93Å |
| 90 | E | 87.8 | Confident | 72.4 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 118.9 | 176.2 | -179 | 144 | -149.5 | 0 | 0 | 110.6 | S49 K51 A133 Y134 A135 | S49-E90 WeakPolarHBondContact CB-OE1 3.34Å; S49-E90 PolarHBondContact OG-OE1 3.11Å; K51-E90 WeakPolarHBondContact CE-OE1 3.31Å; K51-E90 WeakPolarHBondContact CE-OE2 3.14Å; K51-E90 IonicContact NZ-OE2 3.38Å; E90-A133 PolarHBondContact N-O 3.09Å; E90-Y134 HydrophobicContact CB-CD2 4.2Å; E90-Y134 HydrophobicContact CG-CD2 4.25Å; E90-Y134 HydrophobicContact CG-CE2 4.45Å; E90-Y134 WeakPolarHBondContact O-CA 3.47Å; E90-Y134 WeakPolarHBondContact O-CD2 3.3Å; E90-A135 PolarHBondContact O-N 3.19Å |
| 91 | L | 86.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.1 | 174 | -74.5 | 164 | 0 | 0 | 0 | 109.7 | A38 I42 S49 L50 T52 I73 F89 A135 F160 | A38-L91 HydrophobicContact CB-CD1 4.04Å; A38-L91 HydrophobicContact CB-CD2 4.15Å; I42-L91 HydrophobicContact CB-CB 3.99Å; I42-L91 HydrophobicContact CD1-CB 4.09Å; I42-L91 WeakPolarHBondContact CD1-O 3.36Å; I42-L91 HydrophobicContact CG1-CB 4.08Å; S49-L91 CarbonylContact C-O 3.57Å; S49-L91 WeakPolarHBondContact CA-O 3.49Å; S49-L91 VanDerWaalsContact CB-O 3.23Å; S49-L91 WeakPolarHBondContact CB-O 3.23Å; L50-L91 HydrophobicContact CB-CB 4.41Å; L50-L91 PolarHBondContact N-O 2.97Å; L50-L91 PolarHBondContact O-N 3.44Å; T52-L91 HydrophobicContact CG2-CD1 3.97Å; I73-L91 HydrophobicContact CD1-CD1 4.14Å; F89-L91 HydrophobicContact CD1-CD1 4.45Å; F89-L91 HydrophobicContact CD1-CG 4.23Å; F89-L91 HydrophobicContact CE1-CD1 4.11Å; F89-L91 HydrophobicContact CE1-CD2 3.71Å; F89-L91 HydrophobicContact CE1-CG 3.82Å; F89-L91 HydrophobicContact CE2-CD2 4.27Å; F89-L91 HydrophobicContact CZ-CD2 3.53Å; F89-L91 HydrophobicContact CZ-CG 4.02Å; L91-A135 CarbonylContact C-O 3.54Å; L91-A135 WeakPolarHBondContact CA-O 3.33Å; L91-A135 HydrophobicContact CD2-CB 4.18Å; L91-F160 HydrophobicContact CD2-CE1 3.83Å; L91-F160 HydrophobicContact CD2-CZ 4.31Å |
| 92 | A | 85.1 | Confident | 72.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N48 Y94 Y134 A135 C136 V137 | N48-A92 WeakPolarHBondContact O-CA 3.08Å; A92-Y94 VanDerWaalsContact CB-O 3.23Å; A92-Y94 WeakPolarHBondContact CB-O 3.5Å; A92-Y134 HydrophobicContact CB-CE2 3.78Å; A92-A135 PolarHBondContact N-O 3.06Å; A92-C136 HydrophobicContact CB-CB 4.19Å; A92-C136 CarbonylContact O-C 3.59Å; A92-C136 VanDerWaalsContact O-CA 3.24Å; A92-C136 WeakPolarHBondContact O-CA 3.26Å; A92-V137 PolarHBondContact O-N 3.09Å |
| 93 | K | 79.3 | Confident | 72.8 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 20% | 0.196 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -83.5 | -14.9 | 173.6 | -68.3 | 178.2 | 179.9 | 160.9 | 0 | 113.9 | I42 C45 Q46 Q47 N48 V137 | I42-K93 HydrophobicContact CD1-CG 4.08Å; I42-K93 HydrophobicContact CG1-CG 3.99Å; I42-K93 WeakPolarHBondContact O-CE 3.45Å; C45-K93 WeakPolarHBondContact O-CE 3.47Å; C45-K93 PolarHBondContact O-NZ 3.34Å; Q46-K93 PolarHBondContact O-NZ 3.28Å; Q47-K93 WeakPolarHBondContact O-CE 3.49Å; Q47-K93 PolarHBondContact O-NZ 3.06Å; N48-K93 PolarHBondContact O-N 3.44Å; K93-V137 CarbonylContact O-C 3.6Å |
| 94 | Y | 75.7 | Confident | 73.3 | Confident | 108 Ų | 108 | 47.7 Ų | 47.7 | 42% | 0.424 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -142.9 | 160.1 | -178.5 | -54 | -72.4 | 0 | 0 | 0 | 107.5 | A92 I96 Y134 | A92-Y94 VanDerWaalsContact CB-O 3.23Å; A92-Y94 WeakPolarHBondContact CB-O 3.5Å; Y94-I96 PolarHBondContact O-N 3.43Å; Y94-Y134 PolarHBondContact O-OH 2.97Å |
| 95 | D | 71.6 | Confident | 73.5 | Confident | 79 Ų | 79 | 46.8 Ų | 46.8 | 42% | 0.422 | 26% | 0.259 | S | S | . | . | trans | -74.8 | 123.1 | 170.6 | -154.2 | -21.1 | 0 | 0 | 0 | 109.4 | F97 Y134 K162 | D95-F97 WeakPolarHBondContact OD1-CB 3.45Å; D95-F97 PolarHBondContact OD1-N 2.98Å; D95-F97 VanDerWaalsContact OD1-N 3.12Å; D95-Y134 PolarHBondContact OD1-OH 2.69Å; D95-K162 VanDerWaalsContact OD2-CD 3.28Å; D95-K162 WeakPolarHBondContact OD2-CD 3.21Å | ||
| 96 | I | 62.7 | Low | 73.5 | Confident | 88 Ų | 88 | 48 Ų | 48 | 45% | 0.451 | 27% | 0.266 | S | S | . | . | trans | -130.4 | 12.5 | -177.3 | -49 | 172.4 | 0 | 0 | 0 | 108.8 | Y94 S98 Y134 | Y94-I96 PolarHBondContact O-N 3.43Å; I96-S98 PolarHBondContact O-N 2.81Å; I96-Y134 PolarHBondContact N-OH 2.87Å | ||
| 97 | F | 57.9 | Low | 73.2 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | trans | -76.5 | 87.8 | -175.8 | -119.6 | -117.2 | 0 | 0 | 0 | 111.9 | D95 E101 Y134 K164 | D95-F97 WeakPolarHBondContact OD1-CB 3.45Å; D95-F97 PolarHBondContact OD1-N 2.98Å; D95-F97 VanDerWaalsContact OD1-N 3.12Å; F97-E101 HydrophobicContact CD1-CG 4.16Å; F97-E101 WeakPolarHBondContact CD1-OE1 3.29Å; F97-E101 HydrophobicContact CE1-CG 3.77Å; F97-E101 WeakPolarHBondContact CE1-OE1 3.25Å; F97-Y134 HydrophobicContact CB-CE1 4.05Å; F97-Y134 HydrophobicContact CD1-CD1 4.41Å; F97-Y134 AromaticContact CD2-CD1 3.45Å; F97-Y134 HydrophobicContact CD2-CD1 3.45Å; F97-Y134 VanDerWaalsContact CD2-CD1 3.45Å; F97-Y134 AromaticContact CD2-CD2 3.61Å; F97-Y134 HydrophobicContact CD2-CD2 3.61Å; F97-Y134 AromaticContact CD2-CE1 3.46Å; F97-Y134 HydrophobicContact CD2-CE1 3.46Å; F97-Y134 VanDerWaalsContact CD2-CE1 3.46Å; F97-Y134 AromaticContact CD2-CE2 3.63Å; F97-Y134 HydrophobicContact CD2-CE2 3.63Å; F97-Y134 AromaticContact CD2-CG 3.51Å; F97-Y134 HydrophobicContact CD2-CG 3.51Å; F97-Y134 AromaticContact CD2-CZ 3.54Å; F97-Y134 AromaticContact CE2-CD1 3.65Å; F97-Y134 HydrophobicContact CE2-CD1 3.65Å; F97-Y134 AromaticContact CE2-CD2 3.34Å; F97-Y134 HydrophobicContact CE2-CD2 3.34Å; F97-Y134 HydrophobicContact CE2-CE1 4.11Å; F97-Y134 AromaticContact CE2-CE2 3.85Å; F97-Y134 HydrophobicContact CE2-CE2 3.85Å; F97-Y134 AromaticContact CE2-CG 3.21Å; F97-Y134 HydrophobicContact CE2-CG 3.21Å; F97-Y134 AromaticContact CG-CD1 3.88Å; F97-Y134 HydrophobicContact CG-CD1 3.88Å; F97-Y134 AromaticContact CG-CE1 3.85Å; F97-Y134 HydrophobicContact CG-CE1 3.85Å; F97-Y134 HydrophobicContact CG-CG 4.33Å; F97-Y134 HydrophobicContact CZ-CD1 4.2Å; F97-Y134 HydrophobicContact CZ-CD2 4.32Å; F97-Y134 AromaticContact CZ-CG 3.82Å; F97-Y134 HydrophobicContact CZ-CG 3.82Å; F97-K164 HydrophobicContact CD1-CD 4.35Å; F97-K164 HydrophobicContact CE1-CD 4Å | ||
| 98 | S | 53.2 | Low | 73 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 78% | 0.776 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -150 | 0.7 | 174.8 | 61.9 | 0 | 0 | 0 | 0 | 115.5 | I96 | I96-S98 PolarHBondContact O-N 2.81Š|
| 99 | S | 51.7 | Low | 72.7 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 63% | 0.629 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -150.8 | -2.3 | -174.9 | 57.7 | 0 | 0 | 0 | 0 | 116.9 | ||
| 100 | S | 60.3 | Low | 72.2 | Confident | 30 Ų | 30 | 55.4 Ų | 55.4 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -96.5 | -12.9 | -173.7 | 46.8 | 0 | 0 | 0 | 0 | 115.1 | S104 | S100-S104 PolarHBondContact O-N 2.97Å; S100-S104 PolarHBondContact O-OG 3.28Å |
| 101 | E | 63.5 | Low | 71.7 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.2 | -44.7 | -169.5 | -59.3 | -167 | 165.9 | 0 | 0 | 113 | F97 Q103 S104 L105 K164 N379 | F97-E101 HydrophobicContact CD1-CG 4.16Å; F97-E101 WeakPolarHBondContact CD1-OE1 3.29Å; F97-E101 HydrophobicContact CE1-CG 3.77Å; F97-E101 WeakPolarHBondContact CE1-OE1 3.25Å; E101-Q103 PolarHBondContact O-N 3.42Å; E101-S104 WeakPolarHBondContact O-CA 3.4Å; E101-S104 WeakPolarHBondContact O-CB 3.38Å; E101-S104 PolarHBondContact O-N 3.33Å; E101-L105 PolarHBondContact O-N 3Å; E101-K164 IonicContact OE1-NZ 3.81Å; E101-K164 PolarHBondContact OE1-NZ 3.43Å; E101-K164 IonicContact OE2-NZ 2.74Å; E101-N379 PolarHBondContact OE2-ND2 2.82Å |
| 102 | S | 58.8 | Low | 71.3 | Confident | 46 Ų | 46 | 55.2 Ų | 55.2 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 179.9 | 53.6 | 0 | 0 | 0 | 0 | 113 | S104 L105 D106 | S102-S104 PolarHBondContact O-N 2.75Å; S102-S104 VanDerWaalsContact O-N 3.08Å; S102-L105 WeakPolarHBondContact O-CB 3.35Å; S102-L105 PolarHBondContact O-N 3.18Å; S102-L105 VanDerWaalsContact O-N 3.07Å; S102-D106 VanDerWaalsContact O-CG 3.3Å; S102-D106 PolarHBondContact O-N 3.1Å |
| 103 | Q | 68.4 | Low | 70.8 | Confident | 101 Ų | 101 | 56.6 Ų | 56.6 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.8 | -16.7 | 176.5 | -60.7 | -169.1 | 14.9 | 0 | 0 | 113.8 | E101 R107 | E101-Q103 PolarHBondContact O-N 3.42Å; Q103-R107 WeakPolarHBondContact O-CD 3.44Å; Q103-R107 VanDerWaalsContact O-CG 3.23Å; Q103-R107 WeakPolarHBondContact O-CG 2.97Å; Q103-R107 PolarHBondContact O-NH1 3.03Å |
| 104 | S | 75.5 | Confident | 70.3 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -83.8 | -41.9 | 174.7 | -55.4 | 0 | 0 | 0 | 0 | 110 | S100 E101 S102 A108 | S100-S104 PolarHBondContact O-N 2.97Å; S100-S104 PolarHBondContact O-OG 3.28Å; E101-S104 WeakPolarHBondContact O-CA 3.4Å; E101-S104 WeakPolarHBondContact O-CB 3.38Å; E101-S104 PolarHBondContact O-N 3.33Å; S102-S104 PolarHBondContact O-N 2.75Å; S102-S104 VanDerWaalsContact O-N 3.08Å; S104-A108 WeakPolarHBondContact O-CB 3.21Å; S104-A108 PolarHBondContact O-N 3.36Å |
| 105 | L | 78 | Confident | 69.9 | Low | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 173.7 | -77.9 | 157.7 | 0 | 0 | 0 | 112.8 | E101 S102 R107 A108 I109 W132 L168 I345 I382 L383 | E101-L105 PolarHBondContact O-N 3Å; S102-L105 WeakPolarHBondContact O-CB 3.35Å; S102-L105 PolarHBondContact O-N 3.18Å; S102-L105 VanDerWaalsContact O-N 3.07Å; L105-R107 VanDerWaalsContact C-N 3.31Å; L105-R107 PolarHBondContact O-N 3.21Å; L105-A108 PolarHBondContact O-N 3.44Å; L105-A108 VanDerWaalsContact O-N 3.14Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.44Å; L105-I109 PolarHBondContact O-N 3.14Å; L105-W132 HydrophobicContact CD2-CH2 3.77Å; L105-W132 HydrophobicContact CD2-CZ2 4.15Å; L105-W132 HydrophobicContact CG-CH2 4.24Å; L105-W132 HydrophobicContact CG-CZ2 4.23Å; L105-L168 HydrophobicContact CD2-CD1 4.38Å; L105-I345 HydrophobicContact CD1-CD1 4.33Å; L105-I345 HydrophobicContact CD2-CD1 3.74Å; L105-I345 HydrophobicContact CD2-CG1 4.13Å; L105-I382 HydrophobicContact CD1-CG2 3.72Å; L105-L383 HydrophobicContact CD2-CD1 4.06Å |
| 106 | D | 78 | Confident | 69.6 | Low | 46 Ų | 46 | 50.6 Ų | 50.6 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.5 | -46 | 178.4 | -61.5 | -29.8 | 0 | 0 | 0 | 111.5 | S102 Q110 S386 | S102-D106 VanDerWaalsContact O-CG 3.3Å; S102-D106 PolarHBondContact O-N 3.1Å; D106-Q110 WeakPolarHBondContact O-CB 3.25Å; D106-Q110 VanDerWaalsContact O-CG 3.27Å; D106-Q110 WeakPolarHBondContact O-CG 3.4Å; D106-Q110 PolarHBondContact O-N 2.86Å; D106-S386 WeakPolarHBondContact OD1-CB 3.43Å; D106-S386 PolarHBondContact OD1-OG 2.74Å |
| 107 | R | 79.5 | Confident | 69.6 | Low | 143 Ų | 143 | 49.7 Ų | 49.7 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 178.2 | -69.7 | 178.4 | -169.5 | 117.2 | 4.3 | 111.9 | Q103 L105 S111 | Q103-R107 WeakPolarHBondContact O-CD 3.44Å; Q103-R107 VanDerWaalsContact O-CG 3.23Å; Q103-R107 WeakPolarHBondContact O-CG 2.97Å; Q103-R107 PolarHBondContact O-NH1 3.03Å; L105-R107 VanDerWaalsContact C-N 3.31Å; L105-R107 PolarHBondContact O-N 3.21Å; R107-S111 VanDerWaalsContact O-CB 3.25Å; R107-S111 WeakPolarHBondContact O-CB 3.38Å; R107-S111 PolarHBondContact O-N 3.12Å |
| 108 | A | 82 | Confident | 69.4 | Low | 7 Ų | 7 | 54.5 Ų | 54.5 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S104 L105 S111 I112 Q130 W132 L168 | S104-A108 WeakPolarHBondContact O-CB 3.21Å; S104-A108 PolarHBondContact O-N 3.36Å; L105-A108 PolarHBondContact O-N 3.44Å; L105-A108 VanDerWaalsContact O-N 3.14Å; A108-S111 PolarHBondContact O-N 2.82Å; A108-I112 WeakPolarHBondContact O-CB 3.48Å; A108-I112 VanDerWaalsContact O-CG1 3.3Å; A108-I112 WeakPolarHBondContact O-CG1 3.31Å; A108-I112 PolarHBondContact O-N 3.16Å; A108-Q130 HydrophobicContact CB-CB 3.84Å; A108-Q130 HydrophobicContact CB-CG 4.41Å; A108-W132 HydrophobicContact CB-CZ3 4.08Å; A108-L168 HydrophobicContact CB-CB 4.28Å; A108-L168 HydrophobicContact CB-CD2 3.7Å |
| 109 | I | 81.2 | Confident | 69.6 | Low | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 175.7 | -65.1 | 161.6 | 0 | 0 | 0 | 110.3 | L105 S111 I112 W113 L168 F343 V387 F390 | L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.44Å; L105-I109 PolarHBondContact O-N 3.14Å; I109-S111 PolarHBondContact O-N 2.87Å; I109-I112 PolarHBondContact O-N 3.44Å; I109-W113 PolarHBondContact O-N 3.4Å; I109-L168 HydrophobicContact CG1-CD2 3.59Å; I109-F343 HydrophobicContact CB-CZ 4.38Å; I109-F343 HydrophobicContact CG1-CE1 4.36Å; I109-F343 HydrophobicContact CG1-CZ 4.24Å; I109-F343 HydrophobicContact CG2-CE2 4.1Å; I109-F343 HydrophobicContact CG2-CZ 3.85Å; I109-V387 HydrophobicContact CD1-CG2 3.61Å; I109-V387 HydrophobicContact CG1-CG2 4.39Å; I109-F390 HydrophobicContact CG2-CB 3.96Å; I109-F390 HydrophobicContact CG2-CD1 3.45Å; I109-F390 VanDerWaalsContact CG2-CD1 3.45Å; I109-F390 HydrophobicContact CG2-CD2 3.72Å; I109-F390 HydrophobicContact CG2-CE1 3.83Å; I109-F390 HydrophobicContact CG2-CE2 4.08Å; I109-F390 HydrophobicContact CG2-CG 3.39Å; I109-F390 HydrophobicContact CG2-CZ 4.14Å |
| 110 | Q | 79.7 | Confident | 69.6 | Low | 113 Ų | 113 | 54.9 Ų | 54.9 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 178.9 | -72.7 | 175.8 | 14.4 | 0 | 0 | 112.5 | D106 W113 S114 F390 | D106-Q110 WeakPolarHBondContact O-CB 3.25Å; D106-Q110 VanDerWaalsContact O-CG 3.27Å; D106-Q110 WeakPolarHBondContact O-CG 3.4Å; D106-Q110 PolarHBondContact O-N 2.86Å; Q110-W113 PolarHBondContact O-N 3.49Å; Q110-S114 WeakPolarHBondContact O-CB 3.34Å; Q110-S114 PolarHBondContact O-N 3.34Å; Q110-S114 PolarHBondContact O-OG 2.8Å; Q110-F390 HydrophobicContact CG-CD2 4.16Å; Q110-F390 HydrophobicContact CG-CE2 4.22Å |
| 111 | S | 77.4 | Confident | 69.4 | Low | 39 Ų | 39 | 56.4 Ų | 56.4 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 179.5 | -167.4 | 0 | 0 | 0 | 0 | 112 | R107 A108 I109 W113 S114 D115 | R107-S111 VanDerWaalsContact O-CB 3.25Å; R107-S111 WeakPolarHBondContact O-CB 3.38Å; R107-S111 PolarHBondContact O-N 3.12Å; A108-S111 PolarHBondContact O-N 2.82Å; I109-S111 PolarHBondContact O-N 2.87Å; S111-W113 VanDerWaalsContact C-N 3.32Å; S111-W113 PolarHBondContact O-N 2.83Å; S111-S114 WeakPolarHBondContact CA-OG 3.5Å; S111-S114 PolarHBondContact O-N 3.48Å; S111-S114 PolarHBondContact O-OG 2.98Å; S111-D115 WeakPolarHBondContact O-CB 3.33Å; S111-D115 VanDerWaalsContact O-CG 3.22Å; S111-D115 PolarHBondContact O-N 3.5Å |
| 112 | I | 76.6 | Confident | 69.4 | Low | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.1 | -52 | 173.6 | -72.4 | 170.6 | 0 | 0 | 0 | 109.1 | A108 I109 D115 Y116 Q130 L168 L170 F343 | A108-I112 WeakPolarHBondContact O-CB 3.48Å; A108-I112 VanDerWaalsContact O-CG1 3.3Å; A108-I112 WeakPolarHBondContact O-CG1 3.31Å; A108-I112 PolarHBondContact O-N 3.16Å; I109-I112 PolarHBondContact O-N 3.44Å; I112-D115 PolarHBondContact O-N 3.35Å; I112-Y116 HydrophobicContact CG2-CD2 3.74Å; I112-Y116 HydrophobicContact CG2-CE2 3.66Å; I112-Y116 VanDerWaalsContact O-CD2 3.26Å; I112-Y116 WeakPolarHBondContact O-CD2 3.26Å; I112-Y116 PolarHBondContact O-N 3Å; I112-Q130 HydrophobicContact CD1-CB 4.36Å; I112-Q130 HydrophobicContact CD1-CG 3.95Å; I112-Q130 HydrophobicContact CG1-CB 4.48Å; I112-Q130 HydrophobicContact CG1-CG 3.56Å; I112-L168 HydrophobicContact CD1-CD2 4.02Å; I112-L168 HydrophobicContact CD1-CG 4.2Å; I112-L170 HydrophobicContact CG2-CB 4.12Å; I112-L170 HydrophobicContact CG2-CD2 4.01Å; I112-F343 HydrophobicContact CD1-CE1 4.1Å; I112-F343 HydrophobicContact CG2-CE1 4.46Å |
| 113 | W | 75.3 | Confident | 69.9 | Low | 30 Ų | 30 | 56.1 Ų | 56.1 | 11% | 0.114 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.2 | -38.4 | -176.3 | -168.1 | -99.2 | 0 | 0 | 0 | 114.2 | I109 Q110 S111 D115 Y116 T117 L331 F390 V394 L397 | I109-W113 PolarHBondContact O-N 3.4Å; Q110-W113 PolarHBondContact O-N 3.49Å; S111-W113 VanDerWaalsContact C-N 3.32Å; S111-W113 PolarHBondContact O-N 2.83Å; W113-D115 VanDerWaalsContact C-N 3.26Å; W113-D115 PolarHBondContact O-N 2.83Å; W113-Y116 PolarHBondContact O-N 3.25Å; W113-T117 WeakPolarHBondContact O-CB 3.47Å; W113-T117 WeakPolarHBondContact O-CG2 3.13Å; W113-T117 PolarHBondContact O-N 2.98Å; W113-T117 VanDerWaalsContact O-N 3.12Å; W113-T117 PolarHBondContact O-OG1 3.34Å; W113-L331 HydrophobicContact CH2-CD1 4.07Å; W113-F390 HydrophobicContact CB-CE1 4.39Å; W113-F390 HydrophobicContact CB-CE2 4.23Å; W113-F390 HydrophobicContact CB-CZ 3.55Å; W113-F390 AromaticContact CD1-CZ 3.79Å; W113-F390 HydrophobicContact CD2-CE1 4.24Å; W113-F390 AromaticContact CD2-CZ 3.87Å; W113-F390 HydrophobicContact CD2-CZ 3.87Å; W113-F390 HydrophobicContact CE3-CE1 4.4Å; W113-F390 HydrophobicContact CE3-CZ 4.44Å; W113-F390 HydrophobicContact CG-CE1 4.25Å; W113-F390 HydrophobicContact CG-CE2 4.36Å; W113-F390 AromaticContact CG-CZ 3.45Å; W113-F390 HydrophobicContact CG-CZ 3.45Å; W113-F390 VanDerWaalsContact CG-CZ 3.45Å; W113-V394 HydrophobicContact CZ2-CG1 3.9Å; W113-L397 HydrophobicContact CE3-CD1 4.47Å; W113-L397 HydrophobicContact CH2-CD1 3.96Å; W113-L397 HydrophobicContact CH2-CD2 3.78Å; W113-L397 HydrophobicContact CH2-CG 4.07Å; W113-L397 HydrophobicContact CZ2-CD1 4.13Å; W113-L397 HydrophobicContact CZ2-CG 4.33Å; W113-L397 HydrophobicContact CZ3-CD1 4.13Å; W113-L397 HydrophobicContact CZ3-CD2 4.18Å |
| 114 | S | 69.9 | Low | 69.9 | Low | 43 Ų | 43 | 54.2 Ų | 54.2 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 174.3 | 59.2 | 0 | 0 | 0 | 0 | 111.2 | Q110 S111 T117 L118 | Q110-S114 WeakPolarHBondContact O-CB 3.34Å; Q110-S114 PolarHBondContact O-N 3.34Å; Q110-S114 PolarHBondContact O-OG 2.8Å; S111-S114 WeakPolarHBondContact CA-OG 3.5Å; S111-S114 PolarHBondContact O-N 3.48Å; S111-S114 PolarHBondContact O-OG 2.98Å; S114-T117 PolarHBondContact O-N 2.9Å; S114-T117 PolarHBondContact O-OG1 2.95Å; S114-L118 VanDerWaalsContact O-CB 3.25Å; S114-L118 WeakPolarHBondContact O-CB 3.1Å; S114-L118 WeakPolarHBondContact O-CG 3.34Å; S114-L118 PolarHBondContact O-N 3.3Å |
| 115 | D | 67.1 | Low | 69.8 | Low | 26 Ų | 26 | 52.7 Ų | 52.7 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 178.4 | -76.4 | -12.6 | 0 | 0 | 0 | 112 | S111 I112 W113 T117 K119 N127 | S111-D115 WeakPolarHBondContact O-CB 3.33Å; S111-D115 VanDerWaalsContact O-CG 3.22Å; S111-D115 PolarHBondContact O-N 3.5Å; I112-D115 PolarHBondContact O-N 3.35Å; W113-D115 VanDerWaalsContact C-N 3.26Å; W113-D115 PolarHBondContact O-N 2.83Å; D115-T117 PolarHBondContact O-N 2.82Å; D115-K119 HydrophobicContact CB-CD 3.9Å; D115-K119 VanDerWaalsContact CG-CE 3.44Å; D115-K119 WeakPolarHBondContact O-CB 3.33Å; D115-K119 PolarHBondContact O-N 2.98Å; D115-K119 WeakPolarHBondContact OD1-CD 3.26Å; D115-K119 WeakPolarHBondContact OD1-CE 3.36Å; D115-K119 IonicContact OD1-NZ 3.67Å; D115-K119 PolarHBondContact OD1-NZ 2.89Å; D115-K119 IonicContact OD2-NZ 2.61Å; D115-K119 PolarHBondContact OD2-NZ 2.85Å; D115-N127 HydrophobicContact CB-CB 3.92Å; D115-N127 PolarHBondContact OD2-OD1 3.4Å |
| 116 | Y | 65.4 | Low | 69.4 | Low | 37 Ų | 37 | 53.7 Ų | 53.7 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.7 | -26.7 | 172.1 | -87.4 | -75.6 | 0 | 0 | 0 | 114.3 | I112 W113 N127 C128 L170 L265 L269 | I112-Y116 HydrophobicContact CG2-CD2 3.74Å; I112-Y116 HydrophobicContact CG2-CE2 3.66Å; I112-Y116 VanDerWaalsContact O-CD2 3.26Å; I112-Y116 WeakPolarHBondContact O-CD2 3.26Å; I112-Y116 PolarHBondContact O-N 3Å; W113-Y116 PolarHBondContact O-N 3.25Å; Y116-N127 WeakPolarHBondContact CD2-O 3.25Å; Y116-N127 WeakPolarHBondContact CE2-O 3.49Å; Y116-C128 PolarHBondContact OH-SG 2.95Å; Y116-L170 HydrophobicContact CD2-CD2 4.2Å; Y116-L170 HydrophobicContact CE2-CD2 3.57Å; Y116-L265 HydrophobicContact CE1-CD2 3.89Å; Y116-L265 HydrophobicContact CE1-CG 4.19Å; Y116-L265 WeakPolarHBondContact OH-CD2 3.45Å; Y116-L269 HydrophobicContact CD1-CD1 3.57Å; Y116-L269 HydrophobicContact CE1-CD1 3.77Å |
| 117 | T | 61.6 | Low | 69 | Low | 69 Ų | 69 | 52 Ų | 52 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -105.6 | -15.7 | -172.1 | 52.9 | 0 | 0 | 0 | 0 | 115.1 | W113 S114 D115 | W113-T117 WeakPolarHBondContact O-CB 3.47Å; W113-T117 WeakPolarHBondContact O-CG2 3.13Å; W113-T117 PolarHBondContact O-N 2.98Å; W113-T117 VanDerWaalsContact O-N 3.12Å; W113-T117 PolarHBondContact O-OG1 3.34Å; S114-T117 PolarHBondContact O-N 2.9Å; S114-T117 PolarHBondContact O-OG1 2.95Å; D115-T117 PolarHBondContact O-N 2.82Å |
| 118 | L | 53.6 | Low | 68.8 | Low | 144 Ų | 144 | 45.1 Ų | 45.1 | 75% | 0.754 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -122.2 | -25.6 | -174.8 | -59.5 | 174.5 | 0 | 0 | 0 | 114.8 | S114 | S114-L118 VanDerWaalsContact O-CB 3.25Å; S114-L118 WeakPolarHBondContact O-CB 3.1Å; S114-L118 WeakPolarHBondContact O-CG 3.34Å; S114-L118 PolarHBondContact O-N 3.3Å |
| 119 | K | 57.8 | Low | 68.8 | Low | 105 Ų | 105 | 45 Ų | 45 | 46% | 0.457 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -81.3 | 148.9 | -178.2 | -72.5 | 173.5 | 170.6 | 168.2 | 0 | 111.7 | D115 N127 | D115-K119 HydrophobicContact CB-CD 3.9Å; D115-K119 VanDerWaalsContact CG-CE 3.44Å; D115-K119 WeakPolarHBondContact O-CB 3.33Å; D115-K119 PolarHBondContact O-N 2.98Å; D115-K119 WeakPolarHBondContact OD1-CD 3.26Å; D115-K119 WeakPolarHBondContact OD1-CE 3.36Å; D115-K119 IonicContact OD1-NZ 3.67Å; D115-K119 PolarHBondContact OD1-NZ 2.89Å; D115-K119 IonicContact OD2-NZ 2.61Å; D115-K119 PolarHBondContact OD2-NZ 2.85Å; K119-N127 WeakPolarHBondContact CD-OD1 3.43Å; K119-N127 WeakPolarHBondContact CE-OD1 3.35Å; K119-N127 PolarHBondContact NZ-OD1 2.91Å |
| 120 | S | 51.2 | Low | 69 | Low | 104 Ų | 104 | 46.9 Ų | 46.9 | 73% | 0.727 | 26% | 0.257 | S | S | * | . | trans | -63.5 | 147.6 | 171 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | S122 | S120-S122 PolarHBondContact O-N 2.89Å; S120-S122 VanDerWaalsContact O-N 3.14Å | ||
| 121 | L | 56.8 | Low | 69.3 | Low | 61 Ų | 61 | 41.9 Ų | 41.9 | 32% | 0.319 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -31.1 | 110.5 | 169.4 | -178.5 | 143.5 | 0 | 0 | 0 | 112.9 | F218 Y220 A234 H266 | L121-F218 HydrophobicContact CD1-CE2 4.41Å; L121-F218 HydrophobicContact CD1-CZ 4.04Å; L121-F218 HydrophobicContact CD2-CE1 3.5Å; L121-F218 VanDerWaalsContact CD2-CE1 3.5Å; L121-F218 HydrophobicContact CD2-CE2 4.36Å; L121-F218 HydrophobicContact CD2-CZ 3.4Å; L121-F218 VanDerWaalsContact CD2-CZ 3.4Å; L121-F218 HydrophobicContact CG-CE1 4.19Å; L121-F218 HydrophobicContact CG-CE2 4.44Å; L121-F218 HydrophobicContact CG-CZ 3.6Å; L121-Y220 HydrophobicContact CD1-CE2 4.16Å; L121-Y220 WeakPolarHBondContact CD1-OH 3.45Å; L121-A234 HydrophobicContact CD1-CB 4Å; L121-A234 HydrophobicContact CD2-CB 3.67Å; L121-H266 WeakPolarHBondContact CA-NE2 3.11Å; L121-H266 WeakPolarHBondContact CB-NE2 3.21Å; L121-H266 WeakPolarHBondContact CD1-NE2 3.47Å; L121-H266 VanDerWaalsContact CG-NE2 3.31Å; L121-H266 WeakPolarHBondContact CG-NE2 3.5Å |
| 122 | S | 63.6 | Low | 69.7 | Low | 49 Ų | 49 | 41 Ų | 41 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | trans | -151.7 | 140.5 | -176.7 | 179 | 0 | 0 | 0 | 0 | 111.1 | S120 D124 | S120-S122 PolarHBondContact O-N 2.89Å; S120-S122 VanDerWaalsContact O-N 3.14Å; S122-D124 VanDerWaalsContact C-N 3.25Å; S122-D124 WeakPolarHBondContact OG-CB 3.34Å; S122-D124 PolarHBondContact OG-N 2.98Å | ||
| 123 | L | 68.4 | Low | 70.2 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | trans | -83.7 | 2.1 | 175 | -60.6 | -178.2 | 0 | 0 | 0 | 113.3 | I125 V216 F218 I249 R259 A263 | L123-I125 PolarHBondContact O-N 2.74Å; L123-V216 HydrophobicContact CD1-CG1 3.61Å; L123-F218 HydrophobicContact CD1-CB 4.38Å; L123-F218 HydrophobicContact CD1-CD1 3.59Å; L123-F218 HydrophobicContact CD1-CE1 4.04Å; L123-F218 HydrophobicContact CD1-CG 4.19Å; L123-F218 HydrophobicContact CD2-CD1 3.73Å; L123-F218 HydrophobicContact CD2-CD2 4.41Å; L123-F218 HydrophobicContact CD2-CE1 3.49Å; L123-F218 VanDerWaalsContact CD2-CE1 3.49Å; L123-F218 HydrophobicContact CD2-CE2 4.21Å; L123-F218 HydrophobicContact CD2-CG 4.15Å; L123-F218 HydrophobicContact CD2-CZ 3.71Å; L123-F218 HydrophobicContact CG-CD1 3.63Å; L123-F218 HydrophobicContact CG-CE1 3.52Å; L123-F218 HydrophobicContact CG-CG 4.43Å; L123-F218 HydrophobicContact CG-CZ 4.25Å; L123-I249 HydrophobicContact CD1-CD1 4.12Å; L123-R259 HydrophobicContact CB-CB 4.43Å; L123-R259 HydrophobicContact CD1-CB 4.4Å; L123-A263 HydrophobicContact CD2-CB 3.68Å | ||
| 124 | D | 69.9 | Low | 70.8 | Confident | 61 Ų | 61 | 40.1 Ų | 40.1 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | trans | -66.4 | 126.7 | 177.6 | 178.8 | 14.9 | 0 | 0 | 0 | 112 | S122 T126 N127 K262 | S122-D124 VanDerWaalsContact C-N 3.25Å; S122-D124 WeakPolarHBondContact OG-CB 3.34Å; S122-D124 PolarHBondContact OG-N 2.98Å; D124-T126 VanDerWaalsContact OD1-CG2 3.31Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.39Å; D124-T126 PolarHBondContact OD1-N 2.85Å; D124-T126 PolarHBondContact OD1-OG1 2.87Å; D124-T126 WeakPolarHBondContact OD2-CB 3.32Å; D124-T126 WeakPolarHBondContact OD2-CG2 3.39Å; D124-T126 PolarHBondContact OD2-OG1 3.21Å; D124-N127 PolarHBondContact O-ND2 3.43Å; D124-K262 WeakPolarHBondContact O-CE 3.13Å | ||
| 125 | I | 72 | Confident | 71.5 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -77.9 | -12.8 | 179.8 | 58.4 | 161.4 | 0 | 0 | 0 | 114 | Y58 F60 L66 L123 N127 C128 I129 F258 | Y58-I125 HydrophobicContact CD1-CD1 4.08Å; Y58-I125 HydrophobicContact CD2-CD1 4.29Å; Y58-I125 HydrophobicContact CD2-CG1 4.3Å; Y58-I125 HydrophobicContact CE1-CD1 4.33Å; Y58-I125 HydrophobicContact CE2-CG1 4.41Å; Y58-I125 HydrophobicContact CG-CD1 4.05Å; F60-I125 HydrophobicContact CE1-CD1 3.77Å; F60-I125 HydrophobicContact CZ-CD1 3.49Å; F60-I125 VanDerWaalsContact CZ-CD1 3.49Å; F60-I125 HydrophobicContact CZ-CG1 4.09Å; L66-I125 HydrophobicContact CD1-CD1 3.75Å; L66-I125 HydrophobicContact CD2-CD1 4.05Å; L123-I125 PolarHBondContact O-N 2.74Å; I125-N127 PolarHBondContact O-N 3.49Å; I125-N127 VanDerWaalsContact O-N 3.11Å; I125-C128 WeakPolarHBondContact O-CB 3.45Å; I125-C128 PolarHBondContact O-N 3.25Å; I125-I129 HydrophobicContact CB-CD1 4.27Å; I125-I129 HydrophobicContact CD1-CD1 4.01Å; I125-I129 HydrophobicContact CG1-CD1 4.49Å; I125-I129 PolarHBondContact O-N 2.8Å; I125-F258 HydrophobicContact CG2-CB 4.44Å |
| 126 | T | 70.1 | Confident | 72.2 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -51 | -36.7 | 174 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | Y58 F85 D124 C128 I129 Q130 | Y58-T126 HydrophobicContact CE2-CG2 3.7Å; F85-T126 HydrophobicContact CB-CG2 3.87Å; D124-T126 VanDerWaalsContact OD1-CG2 3.31Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.39Å; D124-T126 PolarHBondContact OD1-N 2.85Å; D124-T126 PolarHBondContact OD1-OG1 2.87Å; D124-T126 WeakPolarHBondContact OD2-CB 3.32Å; D124-T126 WeakPolarHBondContact OD2-CG2 3.39Å; D124-T126 PolarHBondContact OD2-OG1 3.21Å; T126-C128 PolarHBondContact O-N 3.17Å; T126-C128 VanDerWaalsContact O-N 3.1Å; T126-I129 PolarHBondContact O-N 2.92Å; T126-Q130 PolarHBondContact O-NE2 2.88Å |
| 127 | N | 70.7 | Confident | 72.7 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -69.7 | -6.6 | -177.5 | -50.6 | -70.8 | 0 | 0 | 0 | 112.6 | D115 Y116 K119 D124 I125 | D115-N127 HydrophobicContact CB-CB 3.92Å; D115-N127 PolarHBondContact OD2-OD1 3.4Å; Y116-N127 WeakPolarHBondContact CD2-O 3.25Å; Y116-N127 WeakPolarHBondContact CE2-O 3.49Å; K119-N127 WeakPolarHBondContact CD-OD1 3.43Å; K119-N127 WeakPolarHBondContact CE-OD1 3.35Å; K119-N127 PolarHBondContact NZ-OD1 2.91Å; D124-N127 PolarHBondContact O-ND2 3.43Å; I125-N127 PolarHBondContact O-N 3.49Å; I125-N127 VanDerWaalsContact O-N 3.11Å |
| 128 | C | 74.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -114.6 | -13.8 | -179 | -42.5 | 0 | 0 | 0 | 0 | 113.1 | Y116 I125 T126 L170 W261 K262 | Y116-C128 PolarHBondContact OH-SG 2.95Å; I125-C128 WeakPolarHBondContact O-CB 3.45Å; I125-C128 PolarHBondContact O-N 3.25Å; T126-C128 PolarHBondContact O-N 3.17Å; T126-C128 VanDerWaalsContact O-N 3.1Å; C128-L170 PolarHBondContact O-N 3.4Å; C128-W261 HydrophobicContact CB-CH2 4.03Å; C128-W261 HydrophobicContact CB-CZ3 4.2Å; C128-K262 PolarHBondContact SG-NZ 3.25Å |
| 129 | I | 80.6 | Confident | 72.5 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 123.7 | -164.8 | -53.2 | 175 | 0 | 0 | 0 | 109.2 | L19 L66 I125 T126 F131 C167 L168 V169 | L19-I129 HydrophobicContact CD1-CD1 3.94Å; L19-I129 HydrophobicContact CD1-CG1 4.14Å; L19-I129 HydrophobicContact CD2-CD1 4.09Å; L66-I129 HydrophobicContact CD2-CD1 3.87Å; I125-I129 HydrophobicContact CB-CD1 4.27Å; I125-I129 HydrophobicContact CD1-CD1 4.01Å; I125-I129 HydrophobicContact CG1-CD1 4.49Å; I125-I129 PolarHBondContact O-N 2.8Å; T126-I129 PolarHBondContact O-N 2.92Å; I129-F131 HydrophobicContact CB-CE2 4.39Å; I129-F131 HydrophobicContact CG2-CD2 3.94Å; I129-F131 HydrophobicContact CG2-CE2 3.3Å; I129-F131 HydrophobicContact CG2-CZ 3.82Å; I129-C167 WeakPolarHBondContact CG2-SG 2.99Å; I129-L168 WeakPolarHBondContact CA-O 3.2Å; I129-V169 HydrophobicContact CG1-CG1 4.28Å; I129-V169 HydrophobicContact CG2-CG2 4.31Å |
| 130 | Q | 85.7 | Confident | 71.8 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.9 | 177.8 | -69.1 | -65.5 | -47.8 | 0 | 0 | 110.6 | A108 I112 T126 W132 C167 L168 | A108-Q130 HydrophobicContact CB-CB 3.84Å; A108-Q130 HydrophobicContact CB-CG 4.41Å; I112-Q130 HydrophobicContact CD1-CB 4.36Å; I112-Q130 HydrophobicContact CD1-CG 3.95Å; I112-Q130 HydrophobicContact CG1-CB 4.48Å; I112-Q130 HydrophobicContact CG1-CG 3.56Å; T126-Q130 PolarHBondContact O-NE2 2.88Å; Q130-W132 WeakPolarHBondContact O-CZ3 3.41Å; Q130-C167 CarbonylContact O-C 3.58Å; Q130-C167 WeakPolarHBondContact O-CA 3.46Å; Q130-L168 PolarHBondContact N-O 3.27Å; Q130-L168 PolarHBondContact O-N 2.8Å |
| 131 | F | 86.2 | Confident | 71 | Confident | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 148.4 | 178.8 | -66.9 | -98.4 | 0 | 0 | 0 | 110.9 | V26 F28 Y58 V68 F85 I87 P88 I129 V165 E166 C167 L370 | V26-F131 HydrophobicContact CG1-CE1 4.24Å; V26-F131 HydrophobicContact CG1-CZ 4.14Å; F28-F131 HydrophobicContact CD2-CD1 4.49Å; Y58-F131 AromaticContact CE1-CE2 3.81Å; Y58-F131 HydrophobicContact CE1-CE2 3.81Å; Y58-F131 HydrophobicContact CE1-CZ 4.29Å; Y58-F131 WeakPolarHBondContact OH-CE2 3.43Å; V68-F131 HydrophobicContact CG2-CE1 4.02Å; V68-F131 HydrophobicContact CG2-CE2 4.11Å; V68-F131 HydrophobicContact CG2-CZ 3.56Å; F85-F131 AromaticContact CE2-CD2 3.8Å; F85-F131 HydrophobicContact CE2-CD2 3.8Å; F85-F131 HydrophobicContact CE2-CE2 4.1Å; F85-F131 HydrophobicContact CZ-CE2 4.44Å; I87-F131 HydrophobicContact CB-CB 4.43Å; I87-F131 HydrophobicContact CD1-CB 3.86Å; I87-F131 HydrophobicContact CD1-CG 4.18Å; I87-F131 HydrophobicContact CG1-CB 3.98Å; I87-F131 HydrophobicContact CG2-CB 3.74Å; P88-F131 WeakPolarHBondContact CD-O 3.42Å; I129-F131 HydrophobicContact CB-CE2 4.39Å; I129-F131 HydrophobicContact CG2-CD2 3.94Å; I129-F131 HydrophobicContact CG2-CE2 3.3Å; I129-F131 HydrophobicContact CG2-CZ 3.82Å; F131-V165 HydrophobicContact CD1-CG1 4.36Å; F131-E166 WeakPolarHBondContact CA-O 3.13Å; F131-C167 HydrophobicContact CD1-CB 3.63Å; F131-C167 HydrophobicContact CE1-CB 3.64Å; F131-C167 VanDerWaalsContact CE1-SG 3.56Å; F131-C167 HydrophobicContact CG-CB 4.29Å; F131-C167 HydrophobicContact CZ-CB 4.29Å; F131-C167 VanDerWaalsContact CZ-SG 3.57Å; F131-L370 HydrophobicContact CD1-CD1 4.23Å; F131-L370 HydrophobicContact CE1-CD1 3.69Å |
| 132 | W | 87.2 | Confident | 70 | Confident | 21 Ų | 21 | 38.5 Ų | 38.5 | 8% | 0.08 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.6 | 160.7 | 58.6 | 97.2 | 0 | 0 | 0 | 109.9 | L105 A108 Q130 E166 L168 | L105-W132 HydrophobicContact CD2-CH2 3.77Å; L105-W132 HydrophobicContact CD2-CZ2 4.15Å; L105-W132 HydrophobicContact CG-CH2 4.24Å; L105-W132 HydrophobicContact CG-CZ2 4.23Å; A108-W132 HydrophobicContact CB-CZ3 4.08Å; Q130-W132 WeakPolarHBondContact O-CZ3 3.41Å; W132-E166 HydrophobicContact CD2-CB 4.06Å; W132-E166 HydrophobicContact CG-CB 4.5Å; W132-E166 HydrophobicContact CH2-CB 4.21Å; W132-E166 HydrophobicContact CZ2-CB 3.49Å; W132-E166 VanDerWaalsContact CZ2-CB 3.49Å; W132-E166 HydrophobicContact CZ2-CG 4.37Å; W132-E166 PolarHBondContact N-O 2.94Å; W132-E166 PolarHBondContact NE1-OE2 3.43Å; W132-E166 PolarHBondContact O-N 2.92Å; W132-L168 HydrophobicContact CH2-CB 3.95Å; W132-L168 HydrophobicContact CZ3-CB 3.74Å |
| 133 | A | 87.4 | Confident | 68.6 | Low | 6 Ų | 6 | 43.1 Ų | 43.1 | 5% | 0.05 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L54 I87 P88 F89 E90 K164 V165 | L54-A133 HydrophobicContact CD1-CB 4.34Å; I87-A133 HydrophobicContact CG2-CB 4.39Å; P88-A133 PolarHBondContact O-N 3.31Å; F89-A133 WeakPolarHBondContact CA-O 3.26Å; F89-A133 HydrophobicContact CB-CB 4.37Å; F89-A133 HydrophobicContact CD2-CB 3.51Å; F89-A133 HydrophobicContact CE2-CB 4.15Å; F89-A133 HydrophobicContact CG-CB 4.27Å; E90-A133 PolarHBondContact N-O 3.09Å; A133-K164 CarbonylContact C-O 3.59Å; A133-K164 WeakPolarHBondContact CA-O 3.49Å; A133-V165 HydrophobicContact CB-CG2 4.11Å |
| 134 | Y | 85.8 | Confident | 67 | Low | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.2 | 174.9 | 174.3 | -115.5 | 0 | 0 | 0 | 110.5 | E90 A92 Y94 D95 I96 F97 C136 F163 K164 | E90-Y134 HydrophobicContact CB-CD2 4.2Å; E90-Y134 HydrophobicContact CG-CD2 4.25Å; E90-Y134 HydrophobicContact CG-CE2 4.45Å; E90-Y134 WeakPolarHBondContact O-CA 3.47Å; E90-Y134 WeakPolarHBondContact O-CD2 3.3Å; A92-Y134 HydrophobicContact CB-CE2 3.78Å; Y94-Y134 PolarHBondContact O-OH 2.97Å; D95-Y134 PolarHBondContact OD1-OH 2.69Å; I96-Y134 PolarHBondContact N-OH 2.87Å; F97-Y134 HydrophobicContact CB-CE1 4.05Å; F97-Y134 HydrophobicContact CD1-CD1 4.41Å; F97-Y134 AromaticContact CD2-CD1 3.45Å; F97-Y134 HydrophobicContact CD2-CD1 3.45Å; F97-Y134 VanDerWaalsContact CD2-CD1 3.45Å; F97-Y134 AromaticContact CD2-CD2 3.61Å; F97-Y134 HydrophobicContact CD2-CD2 3.61Å; F97-Y134 AromaticContact CD2-CE1 3.46Å; F97-Y134 HydrophobicContact CD2-CE1 3.46Å; F97-Y134 VanDerWaalsContact CD2-CE1 3.46Å; F97-Y134 AromaticContact CD2-CE2 3.63Å; F97-Y134 HydrophobicContact CD2-CE2 3.63Å; F97-Y134 AromaticContact CD2-CG 3.51Å; F97-Y134 HydrophobicContact CD2-CG 3.51Å; F97-Y134 AromaticContact CD2-CZ 3.54Å; F97-Y134 AromaticContact CE2-CD1 3.65Å; F97-Y134 HydrophobicContact CE2-CD1 3.65Å; F97-Y134 AromaticContact CE2-CD2 3.34Å; F97-Y134 HydrophobicContact CE2-CD2 3.34Å; F97-Y134 HydrophobicContact CE2-CE1 4.11Å; F97-Y134 AromaticContact CE2-CE2 3.85Å; F97-Y134 HydrophobicContact CE2-CE2 3.85Å; F97-Y134 AromaticContact CE2-CG 3.21Å; F97-Y134 HydrophobicContact CE2-CG 3.21Å; F97-Y134 AromaticContact CG-CD1 3.88Å; F97-Y134 HydrophobicContact CG-CD1 3.88Å; F97-Y134 AromaticContact CG-CE1 3.85Å; F97-Y134 HydrophobicContact CG-CE1 3.85Å; F97-Y134 HydrophobicContact CG-CG 4.33Å; F97-Y134 HydrophobicContact CZ-CD1 4.2Å; F97-Y134 HydrophobicContact CZ-CD2 4.32Å; F97-Y134 AromaticContact CZ-CG 3.82Å; F97-Y134 HydrophobicContact CZ-CG 3.82Å; Y134-C136 HydrophobicContact CE1-CB 4.09Å; Y134-C136 WeakPolarHBondContact OH-CB 3.32Å; Y134-F163 CarbonylContact O-C 3.54Å; Y134-F163 WeakPolarHBondContact O-CA 3.43Å; Y134-K164 PolarHBondContact N-O 3.08Å; Y134-K164 PolarHBondContact O-N 2.88Å |
| 135 | A | 85.5 | Confident | 65.4 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 139.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F89 E90 L91 A92 F160 K162 F163 | F89-A135 HydrophobicContact CE2-CB 3.81Å; F89-A135 HydrophobicContact CZ-CB 3.93Å; E90-A135 PolarHBondContact O-N 3.19Å; L91-A135 CarbonylContact C-O 3.54Å; L91-A135 WeakPolarHBondContact CA-O 3.33Å; L91-A135 HydrophobicContact CD2-CB 4.18Å; A92-A135 PolarHBondContact N-O 3.06Å; A135-F160 HydrophobicContact CB-CD1 3.64Å; A135-F160 HydrophobicContact CB-CE1 3.98Å; A135-F160 HydrophobicContact CB-CG 4.13Å; A135-K162 CarbonylContact C-O 3.52Å; A135-K162 VanDerWaalsContact CA-O 3.24Å; A135-K162 WeakPolarHBondContact CA-O 3.44Å; A135-F163 HydrophobicContact CB-CD2 3.51Å; A135-F163 HydrophobicContact CB-CE2 4.1Å; A135-F163 HydrophobicContact CB-CG 4.33Å |
| 136 | C | 81.3 | Confident | 63.6 | Low | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.5 | 175.8 | 79.1 | 0 | 0 | 0 | 0 | 112.9 | A92 Y134 F160 S161 K162 | A92-C136 HydrophobicContact CB-CB 4.19Å; A92-C136 CarbonylContact O-C 3.59Å; A92-C136 VanDerWaalsContact O-CA 3.24Å; A92-C136 WeakPolarHBondContact O-CA 3.26Å; Y134-C136 HydrophobicContact CE1-CB 4.09Å; Y134-C136 WeakPolarHBondContact OH-CB 3.32Å; C136-F160 CarbonylContact O-C 3.59Å; C136-F160 VanDerWaalsContact O-CA 3.29Å; C136-F160 WeakPolarHBondContact O-CA 3.42Å; C136-S161 PolarHBondContact O-N 3.04Å; C136-S161 PolarHBondContact O-OG 3.17Å; C136-S161 VanDerWaalsContact O-OG 3.09Å; C136-S161 PolarHBondContact SG-OG 2.92Å; C136-K162 PolarHBondContact N-O 3.19Å; C136-K162 VanDerWaalsContact SG-CB 3.53Å |
| 137 | V | 75.7 | Confident | 62 | Low | 20 Ų | 20 | 67.2 Ų | 67.2 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | trans | -123.1 | 70.4 | -175 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | Y39 I42 A92 K93 F160 | Y39-V137 HydrophobicContact CD2-CG1 4.16Å; Y39-V137 HydrophobicContact CD2-CG2 4.06Å; Y39-V137 HydrophobicContact CE2-CG1 3.56Å; Y39-V137 HydrophobicContact CE2-CG2 4.3Å; I42-V137 HydrophobicContact CG2-CG2 3.82Å; A92-V137 PolarHBondContact O-N 3.09Å; K93-V137 CarbonylContact O-C 3.6Å; V137-F160 HydrophobicContact CG2-CD1 3.53Å; V137-F160 HydrophobicContact CG2-CE1 3.73Å | ||
| 138 | T | 62.5 | Low | 60.5 | Low | 59 Ų | 59 | 73.1 Ų | 73.1 | 36% | 0.362 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 137.5 | 174.6 | 65.3 | 0 | 0 | 0 | 0 | 110.6 | S140 S161 | T138-S140 PolarHBondContact O-N 2.85Å; T138-S161 WeakPolarHBondContact CG2-OG 3.2Å; T138-S161 PolarHBondContact N-OG 2.94Å; T138-S161 WeakPolarHBondContact OG1-CB 3.34Å; T138-S161 PolarHBondContact OG1-OG 3.17Å; T138-S161 VanDerWaalsContact OG1-OG 3.14Å |
| 139 | K | 50.4 | Low | 58.8 | Low | 153 Ų | 153 | 80 Ų | 80 | 67% | 0.665 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 130 | 173.7 | -69.4 | 175.2 | 178.6 | 172.5 | 0 | 109.5 | G141 | K139-G141 PolarHBondContact O-N 2.99Š|
| 140 | S | 42.3 | Very low | 56.7 | Low | 101 Ų | 101 | 85.6 Ų | 85.6 | 71% | 0.706 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -52 | 125.3 | 165.6 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | T138 N142 | T138-S140 PolarHBondContact O-N 2.85Å; S140-N142 PolarHBondContact O-N 3.34Å |
| 141 | G | 34.3 | Very low | 54.5 | Low | 75 Ų | 75 | 90.2 Ų | 90.2 | 77% | 0.773 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 10.7 | -158 | 0 | 0 | 0 | 0 | 0 | 117.8 | K139 | K139-G141 PolarHBondContact O-N 2.99Š|
| 142 | N | 36 | Very low | 52.3 | Low | 147 Ų | 147 | 97 Ų | 97 | 79% | 0.786 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -16.5 | -169.8 | -74.6 | -18.4 | 0 | 0 | 0 | 115.4 | S140 | S140-N142 PolarHBondContact O-N 3.34Š|
| 143 | N | 34.4 | Very low | 49.9 | Very low | 146 Ų | 146 | 101.5 Ų | 101.5 | 78% | 0.781 | 53% | 0.533 | S | S | * | . | trans | -100.9 | 91.2 | 178.5 | -82.5 | -23 | 0 | 0 | 0 | 112.1 | D145 | N143-D145 PolarHBondContact O-N 3.08Š| ||
| 144 | R | 34.5 | Very low | 47.8 | Very low | 254 Ų | 254 | 106.1 Ų | 106.1 | 96% | 0.958 | 56% | 0.557 | S | S | * | * | trans | -64.9 | -21.1 | 169 | -70.5 | -175.7 | 175.4 | -175.5 | -2.1 | 113 | G146 | R144-G146 PolarHBondContact O-N 3.18Š| ||
| 145 | D | 36.7 | Very low | 45.5 | Very low | 102 Ų | 102 | 110.8 Ų | 110.8 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -82 | 94.5 | 178.2 | -145 | 38.9 | 0 | 0 | 0 | 109.8 | N143 R147 K149 | N143-D145 PolarHBondContact O-N 3.08Å; D145-R147 PolarHBondContact O-N 2.79Å; D145-K149 IonicContact OD2-NZ 2.68Å; D145-K149 PolarHBondContact OD2-NZ 2.78Å |
| 146 | G | 34.6 | Very low | 43.6 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | trans | -69.4 | 30.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | R144 | R144-G146 PolarHBondContact O-N 3.18Š| ||
| 147 | R | 35.7 | Very low | 42.2 | Very low | 194 Ų | 194 | 125.3 Ų | 125.3 | 73% | 0.732 | 65% | 0.651 | S | S | * | * | trans | -119.5 | 112.9 | 179.9 | -60 | -172.8 | -170 | -166.2 | 4.3 | 111.2 | D145 K149 | D145-R147 PolarHBondContact O-N 2.79Å; R147-K149 VanDerWaalsContact C-N 3.3Å; R147-K149 HydrophobicContact CB-CD 4.48Å; R147-K149 HydrophobicContact CB-CG 3.75Å; R147-K149 PolarHBondContact O-N 2.92Å | ||
| 148 | V | 38.9 | Very low | 41.3 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 81% | 0.806 | 65% | 0.652 | S | S | * | * | trans | -70.7 | 91.1 | 160.1 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | K150 | V148-K150 VanDerWaalsContact C-N 3.3Å; V148-K150 PolarHBondContact O-N 3.15Å | ||
| 149 | K | 38.6 | Very low | 41.2 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | trans | -75.4 | -12.4 | -167.8 | -74.3 | 173.3 | -172 | 160.7 | 0 | 114 | D145 R147 | D145-K149 IonicContact OD2-NZ 2.68Å; D145-K149 PolarHBondContact OD2-NZ 2.78Å; R147-K149 VanDerWaalsContact C-N 3.3Å; R147-K149 HydrophobicContact CB-CD 4.48Å; R147-K149 HydrophobicContact CB-CG 3.75Å; R147-K149 PolarHBondContact O-N 2.92Å | ||
| 150 | K | 36.8 | Very low | 42.2 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 53% | 0.53 | 62% | 0.622 | S | S | . | * | trans | -141 | 141.6 | 173 | -68.3 | -174.5 | 177.6 | -177.9 | 0 | 111.8 | V148 Q152 | V148-K150 VanDerWaalsContact C-N 3.3Å; V148-K150 PolarHBondContact O-N 3.15Å; K150-Q152 PolarHBondContact O-N 3.08Å | ||
| 151 | L | 40.4 | Very low | 43.5 | Very low | 139 Ų | 139 | 116.7 Ų | 116.7 | 73% | 0.728 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -72.4 | -12.5 | 170.7 | -153 | 75.6 | 0 | 0 | 0 | 112.7 | L154 | L151-L154 HydrophobicContact CD1-CD1 4.19Å; L151-L154 HydrophobicContact CG-CD1 4.23Å |
| 152 | Q | 40 | Very low | 45.5 | Very low | 148 Ų | 148 | 115.2 Ų | 115.2 | 69% | 0.692 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -80.8 | -19 | -176.7 | -70.8 | 171 | -29.6 | 0 | 0 | 113.2 | K150 L154 T155 | K150-Q152 PolarHBondContact O-N 3.08Å; Q152-L154 PolarHBondContact O-N 3.14Å; Q152-L154 VanDerWaalsContact O-N 3.14Å; Q152-T155 PolarHBondContact O-OG1 3.11Å |
| 153 | D | 37.1 | Very low | 47.6 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -77.9 | 8.4 | 178 | -52.6 | -34.4 | 0 | 0 | 0 | 112.6 | T155 | D153-T155 PolarHBondContact O-N 2.92Š|
| 154 | L | 42.6 | Very low | 49.8 | Very low | 104 Ų | 104 | 102.2 Ų | 102.2 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -73.7 | -4.5 | 174 | -95 | 156 | 0 | 0 | 0 | 113.6 | Y39 L151 Q152 F156 | Y39-L154 HydrophobicContact CE1-CD2 4.4Å; L151-L154 HydrophobicContact CD1-CD1 4.19Å; L151-L154 HydrophobicContact CG-CD1 4.23Å; Q152-L154 PolarHBondContact O-N 3.14Å; Q152-L154 VanDerWaalsContact O-N 3.14Å; L154-F156 PolarHBondContact O-N 2.99Å |
| 155 | T | 38.2 | Very low | 52.1 | Low | 102 Ų | 102 | 90.1 Ų | 90.1 | 63% | 0.626 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -83.5 | 99.5 | 166.4 | 54 | 0 | 0 | 0 | 0 | 110.4 | Q152 D153 | Q152-T155 PolarHBondContact O-OG1 3.11Å; D153-T155 PolarHBondContact O-N 2.92Å |
| 156 | F | 44.4 | Very low | 54.3 | Low | 175 Ų | 175 | 85.4 Ų | 85.4 | 77% | 0.768 | 43% | 0.427 | S | S | * | . | S | Bend | 169.7 | -37.9 | 113 | -101.4 | -74.6 | 0 | 0 | 0 | 113.9 | L154 F358 | L154-F156 PolarHBondContact O-N 2.99Å; F156-F358 WeakPolarHBondContact O-CE2 3.37Å | |
| 157 | E | 51.9 | Low | 56.7 | Low | 131 Ų | 131 | 82.2 Ų | 82.2 | 61% | 0.612 | 39% | 0.394 | S | S | * | . | trans | -117.1 | 114.9 | -178 | -68.7 | -172.7 | 157.6 | 0 | 0 | 111.3 | K357 | E157-K357 WeakPolarHBondContact OE1-CE 3.47Š| ||
| 158 | M | 56.9 | Low | 59 | Low | 29 Ų | 29 | 73 Ų | 73 | 14% | 0.143 | 36% | 0.359 | C | S | . | . | trans | -74.7 | 142.2 | 158.2 | -79.7 | -172.2 | 59.7 | 0 | 0 | 109.2 | C35 K36 Y39 F160 L355 | C35-M158 VanDerWaalsContact C-CE 3.47Å; C35-M158 HydrophobicContact CB-CE 3.9Å; C35-M158 VanDerWaalsContact O-CE 3.29Å; C35-M158 WeakPolarHBondContact O-CE 3.45Å; K36-M158 HydrophobicContact CB-SD 4.11Å; K36-M158 HydrophobicContact CG-SD 3.47Å; K36-M158 WeakPolarHBondContact CG-SD 3.22Å; Y39-M158 HydrophobicContact CG-CE 4.33Å; M158-F160 HydrophobicContact CE-CD2 4.39Å; M158-F160 HydrophobicContact CE-CE2 3.75Å; M158-F160 HydrophobicContact CE-CZ 4.44Å; M158-L355 HydrophobicContact CB-CD1 3.58Å; M158-L355 HydrophobicContact CE-CD1 4.1Å | ||
| 159 | Y | 60.1 | Low | 61 | Low | 96 Ų | 96 | 66.8 Ų | 66.8 | 38% | 0.376 | 32% | 0.322 | S | S | . | . | trans | -143.2 | 111.2 | 176.1 | -158.3 | -98.8 | 0 | 0 | 0 | 111.1 | ||||
| 160 | F | 72.1 | Confident | 62.9 | Low | 5 Ų | 5 | 60.1 Ų | 60.1 | 2% | 0.022 | 29% | 0.293 | C | S | . | . | trans | -97.4 | 119.7 | 157.5 | -68.7 | -70 | 0 | 0 | 0 | 106.4 | C35 A38 L91 A135 C136 V137 M158 K162 F163 V353 L355 | C35-F160 HydrophobicContact CB-CE2 4.33Å; A38-F160 HydrophobicContact CB-CZ 4.12Å; L91-F160 HydrophobicContact CD2-CE1 3.83Å; L91-F160 HydrophobicContact CD2-CZ 4.31Å; A135-F160 HydrophobicContact CB-CD1 3.64Å; A135-F160 HydrophobicContact CB-CE1 3.98Å; A135-F160 HydrophobicContact CB-CG 4.13Å; C136-F160 CarbonylContact O-C 3.59Å; C136-F160 VanDerWaalsContact O-CA 3.29Å; C136-F160 WeakPolarHBondContact O-CA 3.42Å; V137-F160 HydrophobicContact CG2-CD1 3.53Å; V137-F160 HydrophobicContact CG2-CE1 3.73Å; M158-F160 HydrophobicContact CE-CD2 4.39Å; M158-F160 HydrophobicContact CE-CE2 3.75Å; M158-F160 HydrophobicContact CE-CZ 4.44Å; F160-K162 VanDerWaalsContact C-N 3.3Å; F160-F163 HydrophobicContact CD2-CD2 4.48Å; F160-V353 VanDerWaalsContact O-O 3.08Å; F160-L355 HydrophobicContact CD2-CD1 4.32Å | ||
| 161 | S | 69.8 | Low | 64.7 | Low | 22 Ų | 22 | 54.8 Ų | 54.8 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -73.3 | -26.4 | -179 | 46.9 | 0 | 0 | 0 | 0 | 112.9 | C136 T138 | C136-S161 PolarHBondContact O-N 3.04Å; C136-S161 PolarHBondContact O-OG 3.17Å; C136-S161 VanDerWaalsContact O-OG 3.09Å; C136-S161 PolarHBondContact SG-OG 2.92Å; T138-S161 WeakPolarHBondContact CG2-OG 3.2Å; T138-S161 PolarHBondContact N-OG 2.94Å; T138-S161 WeakPolarHBondContact OG1-CB 3.34Å; T138-S161 PolarHBondContact OG1-OG 3.17Å; T138-S161 VanDerWaalsContact OG1-OG 3.14Å |
| 162 | K | 75.4 | Confident | 66.3 | Low | 45 Ų | 45 | 48.5 Ų | 48.5 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 138 | 169.8 | -167.8 | 165.7 | -177.8 | 157.4 | 0 | 108 | D95 A135 C136 F160 E350 | D95-K162 VanDerWaalsContact OD2-CD 3.28Å; D95-K162 WeakPolarHBondContact OD2-CD 3.21Å; A135-K162 CarbonylContact C-O 3.52Å; A135-K162 VanDerWaalsContact CA-O 3.24Å; A135-K162 WeakPolarHBondContact CA-O 3.44Å; C136-K162 PolarHBondContact N-O 3.19Å; C136-K162 VanDerWaalsContact SG-CB 3.53Å; F160-K162 VanDerWaalsContact C-N 3.3Å; K162-E350 WeakPolarHBondContact CE-OE1 3.39Å; K162-E350 VanDerWaalsContact NZ-CD 3.27Å; K162-E350 IonicContact NZ-OE1 3.38Å; K162-E350 PolarHBondContact NZ-OE1 3.18Å; K162-E350 IonicContact NZ-OE2 3.54Å; K162-E350 PolarHBondContact NZ-OE2 3.2Å |
| 163 | F | 80.1 | Confident | 67.7 | Low | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 114 | 170.4 | -170.4 | -83.2 | 0 | 0 | 0 | 106.7 | F28 F89 Y134 A135 F160 V165 W368 | F28-F163 HydrophobicContact CE1-CE1 4.33Å; F28-F163 HydrophobicContact CE1-CZ 4.3Å; F89-F163 HydrophobicContact CE2-CE2 4.04Å; F89-F163 AromaticContact CZ-CE2 3.93Å; F89-F163 HydrophobicContact CZ-CE2 3.93Å; Y134-F163 CarbonylContact O-C 3.54Å; Y134-F163 WeakPolarHBondContact O-CA 3.43Å; A135-F163 HydrophobicContact CB-CD2 3.51Å; A135-F163 HydrophobicContact CB-CE2 4.1Å; A135-F163 HydrophobicContact CB-CG 4.33Å; F160-F163 HydrophobicContact CD2-CD2 4.48Å; F163-V165 HydrophobicContact CD1-CG2 4.12Å; F163-V165 HydrophobicContact CE1-CG2 3.47Å; F163-V165 VanDerWaalsContact CE1-CG2 3.47Å; F163-V165 HydrophobicContact CZ-CG2 4.26Å; F163-W368 HydrophobicContact CB-CZ2 4.38Å; F163-W368 HydrophobicContact CD1-CD2 4.17Å; F163-W368 AromaticContact CD1-CE2 3.5Å; F163-W368 AromaticContact CD1-CH2 3.75Å; F163-W368 HydrophobicContact CD1-CH2 3.75Å; F163-W368 AromaticContact CD1-CZ2 3.29Å; F163-W368 HydrophobicContact CD1-CZ2 3.29Å; F163-W368 HydrophobicContact CD1-CZ3 4.34Å; F163-W368 AromaticContact CD1-NE1 3.92Å; F163-W368 HydrophobicContact CD2-CZ2 4.36Å; F163-W368 HydrophobicContact CE1-CD2 4.1Å; F163-W368 AromaticContact CE1-CE2 3.81Å; F163-W368 HydrophobicContact CE1-CE3 4.03Å; F163-W368 AromaticContact CE1-CH2 3.42Å; F163-W368 HydrophobicContact CE1-CH2 3.42Å; F163-W368 VanDerWaalsContact CE1-CH2 3.42Å; F163-W368 AromaticContact CE1-CZ2 3.49Å; F163-W368 HydrophobicContact CE1-CZ2 3.49Å; F163-W368 VanDerWaalsContact CE1-CZ2 3.49Å; F163-W368 AromaticContact CE1-CZ3 3.69Å; F163-W368 HydrophobicContact CE1-CZ3 3.69Å; F163-W368 HydrophobicContact CE2-CH2 4.29Å; F163-W368 HydrophobicContact CG-CH2 4.3Å; F163-W368 AromaticContact CG-CZ2 3.77Å; F163-W368 HydrophobicContact CG-CZ2 3.77Å; F163-W368 AromaticContact CZ-CH2 3.74Å; F163-W368 HydrophobicContact CZ-CH2 3.74Å; F163-W368 HydrophobicContact CZ-CZ2 4.16Å; F163-W368 HydrophobicContact CZ-CZ3 4.11Å |
| 164 | K | 81.9 | Confident | 69.4 | Low | 11 Ų | 11 | 37.7 Ų | 37.7 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.2 | -176.6 | -164.1 | -166.6 | -171.3 | -153.6 | 0 | 108.5 | F97 E101 A133 Y134 E166 | F97-K164 HydrophobicContact CD1-CD 4.35Å; F97-K164 HydrophobicContact CE1-CD 4Å; E101-K164 IonicContact OE1-NZ 3.81Å; E101-K164 PolarHBondContact OE1-NZ 3.43Å; E101-K164 IonicContact OE2-NZ 2.74Å; A133-K164 CarbonylContact C-O 3.59Å; A133-K164 WeakPolarHBondContact CA-O 3.49Å; Y134-K164 PolarHBondContact N-O 3.08Å; Y134-K164 PolarHBondContact O-N 2.88Å; K164-E166 HydrophobicContact CD-CG 4.37Å; K164-E166 WeakPolarHBondContact CE-OE1 3.37Å; K164-E166 WeakPolarHBondContact CE-OE2 3.42Å; K164-E166 HydrophobicContact CG-CG 4.45Å; K164-E166 IonicContact NZ-OE1 2.73Å; K164-E166 PolarHBondContact NZ-OE1 3.22Å; K164-E166 IonicContact NZ-OE2 2.67Å; K164-E166 PolarHBondContact NZ-OE2 2.85Å |
| 165 | V | 82.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.1 | 170.3 | 177.5 | 0 | 0 | 0 | 0 | 107.9 | F28 F131 A133 F163 S347 S348 L370 | F28-V165 HydrophobicContact CB-CG1 4.48Å; F28-V165 HydrophobicContact CD1-CG2 3.91Å; F28-V165 HydrophobicContact CD2-CG1 3.68Å; F28-V165 HydrophobicContact CD2-CG2 4.44Å; F28-V165 HydrophobicContact CE1-CG2 3.87Å; F28-V165 HydrophobicContact CE2-CG1 3.9Å; F28-V165 HydrophobicContact CE2-CG2 4.39Å; F28-V165 HydrophobicContact CG-CG1 4Å; F28-V165 HydrophobicContact CG-CG2 4.18Å; F28-V165 HydrophobicContact CZ-CG1 4.43Å; F28-V165 HydrophobicContact CZ-CG2 4.1Å; F131-V165 HydrophobicContact CD1-CG1 4.36Å; A133-V165 HydrophobicContact CB-CG2 4.11Å; F163-V165 HydrophobicContact CD1-CG2 4.12Å; F163-V165 HydrophobicContact CE1-CG2 3.47Å; F163-V165 VanDerWaalsContact CE1-CG2 3.47Å; F163-V165 HydrophobicContact CZ-CG2 4.26Å; V165-S347 CarbonylContact O-C 3.39Å; V165-S347 WeakPolarHBondContact O-CA 3.33Å; V165-S348 PolarHBondContact N-OG 3.14Å; V165-S348 PolarHBondContact O-N 2.99Å; V165-S348 PolarHBondContact O-OG 2.98Å; V165-L370 HydrophobicContact CB-CD2 4.02Å; V165-L370 HydrophobicContact CG1-CD1 4.19Å; V165-L370 HydrophobicContact CG1-CD2 3.99Å |
| 166 | E | 83.3 | Confident | 72.8 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 154.6 | 176.1 | -75 | 177.9 | 125.3 | 0 | 0 | 110.4 | F131 W132 K164 L346 | F131-E166 WeakPolarHBondContact CA-O 3.13Å; W132-E166 HydrophobicContact CD2-CB 4.06Å; W132-E166 HydrophobicContact CG-CB 4.5Å; W132-E166 HydrophobicContact CH2-CB 4.21Å; W132-E166 HydrophobicContact CZ2-CB 3.49Å; W132-E166 VanDerWaalsContact CZ2-CB 3.49Å; W132-E166 HydrophobicContact CZ2-CG 4.37Å; W132-E166 PolarHBondContact N-O 2.94Å; W132-E166 PolarHBondContact NE1-OE2 3.43Å; W132-E166 PolarHBondContact O-N 2.92Å; K164-E166 HydrophobicContact CD-CG 4.37Å; K164-E166 WeakPolarHBondContact CE-OE1 3.37Å; K164-E166 WeakPolarHBondContact CE-OE2 3.42Å; K164-E166 HydrophobicContact CG-CG 4.45Å; K164-E166 IonicContact NZ-OE1 2.73Å; K164-E166 PolarHBondContact NZ-OE1 3.22Å; K164-E166 IonicContact NZ-OE2 2.67Å; K164-E166 PolarHBondContact NZ-OE2 2.85Å; E166-L346 CarbonylContact C-O 3.52Å; E166-L346 WeakPolarHBondContact CA-O 3.49Å |
| 167 | C | 84.5 | Confident | 74.5 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 118 | -172.9 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | I129 Q130 F131 I345 L346 L370 | I129-C167 WeakPolarHBondContact CG2-SG 2.99Å; Q130-C167 CarbonylContact O-C 3.58Å; Q130-C167 WeakPolarHBondContact O-CA 3.46Å; F131-C167 HydrophobicContact CD1-CB 3.63Å; F131-C167 HydrophobicContact CE1-CB 3.64Å; F131-C167 VanDerWaalsContact CE1-SG 3.56Å; F131-C167 HydrophobicContact CG-CB 4.29Å; F131-C167 HydrophobicContact CZ-CB 4.29Å; F131-C167 VanDerWaalsContact CZ-SG 3.57Å; C167-I345 WeakPolarHBondContact O-CA 3.42Å; C167-L346 HydrophobicContact CB-CB 4.22Å; C167-L346 PolarHBondContact N-O 2.94Å; C167-L346 PolarHBondContact O-N 3.28Å; C167-L370 HydrophobicContact CB-CD1 3.95Å |
| 168 | L | 84.4 | Confident | 76 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123.2 | 170.5 | -177.3 | 68.7 | 0 | 0 | 0 | 108.9 | L105 A108 I109 I112 I129 Q130 W132 F343 I345 L383 | L105-L168 HydrophobicContact CD2-CD1 4.38Å; A108-L168 HydrophobicContact CB-CB 4.28Å; A108-L168 HydrophobicContact CB-CD2 3.7Å; I109-L168 HydrophobicContact CG1-CD2 3.59Å; I112-L168 HydrophobicContact CD1-CD2 4.02Å; I112-L168 HydrophobicContact CD1-CG 4.2Å; I129-L168 WeakPolarHBondContact CA-O 3.2Å; Q130-L168 PolarHBondContact N-O 3.27Å; Q130-L168 PolarHBondContact O-N 2.8Å; W132-L168 HydrophobicContact CH2-CB 3.95Å; W132-L168 HydrophobicContact CZ3-CB 3.74Å; L168-F343 HydrophobicContact CD1-CB 4.2Å; L168-F343 HydrophobicContact CD1-CD1 3.85Å; L168-F343 HydrophobicContact CD1-CG 4.38Å; L168-F343 HydrophobicContact CD2-CD1 3.97Å; L168-F343 HydrophobicContact CD2-CE1 4.02Å; L168-F343 HydrophobicContact CG-CD1 3.91Å; L168-F343 HydrophobicContact CG-CE1 4.35Å; L168-I345 HydrophobicContact CD1-CG1 4.15Å; L168-L383 HydrophobicContact CD1-CD1 4.01Å |
| 169 | V | 80.6 | Confident | 77.3 | Confident | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.1 | 176 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | L19 V20 I129 D171 F343 T344 L346 | L19-V169 HydrophobicContact CB-CG1 3.8Å; L19-V169 HydrophobicContact CD1-CG1 3.86Å; L19-V169 HydrophobicContact CG-CG1 4.41Å; V20-V169 HydrophobicContact CG2-CB 3.77Å; V20-V169 HydrophobicContact CG2-CG1 3.72Å; V20-V169 HydrophobicContact CG2-CG2 4.12Å; I129-V169 HydrophobicContact CG1-CG1 4.28Å; I129-V169 HydrophobicContact CG2-CG2 4.31Å; V169-D171 HydrophobicContact CG1-CB 4.42Å; V169-F343 WeakPolarHBondContact O-CA 3.05Å; V169-T344 PolarHBondContact N-O 2.96Å; V169-T344 PolarHBondContact O-N 3.33Å; V169-L346 HydrophobicContact CG2-CD1 4Å; V169-L346 HydrophobicContact CG2-CG 4.3Å |
| 170 | L | 78.6 | Confident | 78.3 | Confident | 3 Ų | 3 | 16.2 Ų | 16.2 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 105.9 | 163.3 | -175.5 | 68.8 | 0 | 0 | 0 | 108.9 | I112 Y116 C128 W261 I329 L341 F343 | I112-L170 HydrophobicContact CG2-CB 4.12Å; I112-L170 HydrophobicContact CG2-CD2 4.01Å; Y116-L170 HydrophobicContact CD2-CD2 4.2Å; Y116-L170 HydrophobicContact CE2-CD2 3.57Å; C128-L170 PolarHBondContact O-N 3.4Å; L170-W261 WeakPolarHBondContact O-CH2 3.12Å; L170-I329 HydrophobicContact CD1-CD1 4.5Å; L170-L341 HydrophobicContact CD1-CB 3.89Å; L170-L341 HydrophobicContact CD2-CD1 4.38Å; L170-F343 HydrophobicContact CB-CD1 4.19Å; L170-F343 HydrophobicContact CB-CE1 3.96Å; L170-F343 HydrophobicContact CD1-CD1 3.87Å; L170-F343 HydrophobicContact CD1-CD2 4.13Å; L170-F343 HydrophobicContact CD1-CE1 3.76Å; L170-F343 HydrophobicContact CD1-CE2 4.03Å; L170-F343 HydrophobicContact CD1-CG 4.06Å; L170-F343 HydrophobicContact CD1-CZ 3.84Å; L170-F343 HydrophobicContact CG-CE1 4.36Å |
| 171 | D | 74.5 | Confident | 78.9 | Confident | 9 Ų | 9 | 20.9 Ų | 20.9 | 5% | 0.048 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 160.2 | -177.4 | -162.8 | 21.5 | 0 | 0 | 0 | 113 | G18 L19 V20 V169 W261 K342 | G18-D171 WeakPolarHBondContact CA-OD1 3.37Å; L19-D171 VanDerWaalsContact N-CG 3.34Å; L19-D171 PolarHBondContact N-OD1 3.06Å; L19-D171 PolarHBondContact N-OD2 3.1Å; V20-D171 WeakPolarHBondContact CA-OD2 3.28Å; V20-D171 HydrophobicContact CB-CB 4.31Å; V20-D171 WeakPolarHBondContact CB-OD2 3.45Å; V20-D171 HydrophobicContact CG2-CB 3.98Å; V20-D171 PolarHBondContact N-OD2 3.26Å; V169-D171 HydrophobicContact CG1-CB 4.42Å; D171-W261 PolarHBondContact OD1-NE1 3.39Å; D171-K342 PolarHBondContact N-O 2.86Å; D171-K342 PolarHBondContact O-N 3.46Å |
| 172 | Y | 73.3 | Confident | 79.6 | Confident | 8 Ų | 8 | 21 Ų | 21 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | trans | -157.7 | 151.5 | 168.3 | 79.3 | -60.8 | 0 | 0 | 0 | 108.4 | V174 W261 C264 L265 I268 I314 L341 | Y172-V174 HydrophobicContact CD2-CG2 4.26Å; Y172-V174 HydrophobicContact CE1-CG2 4.16Å; Y172-V174 HydrophobicContact CE2-CG2 3.39Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.41Å; Y172-W261 AromaticContact CD1-CE2 3.58Å; Y172-W261 AromaticContact CD1-CZ2 3.6Å; Y172-W261 HydrophobicContact CD1-CZ2 3.6Å; Y172-W261 AromaticContact CD1-NE1 3.36Å; Y172-W261 AromaticContact CE1-CD1 3.65Å; Y172-W261 AromaticContact CE1-CD2 3.96Å; Y172-W261 HydrophobicContact CE1-CD2 3.96Å; Y172-W261 AromaticContact CE1-CE2 3.33Å; Y172-W261 HydrophobicContact CE1-CG 4.11Å; Y172-W261 AromaticContact CE1-CZ2 3.67Å; Y172-W261 HydrophobicContact CE1-CZ2 3.67Å; Y172-W261 AromaticContact CE1-NE1 3.18Å; Y172-W261 PolarHBondContact O-NE1 3.22Å; Y172-W261 PolarHBondContact OH-O 2.81Å; Y172-C264 WeakPolarHBondContact OH-CB 3.42Å; Y172-L265 HydrophobicContact CD1-CB 4.38Å; Y172-L265 HydrophobicContact CD1-CD1 3.92Å; Y172-L265 HydrophobicContact CD1-CD2 3.85Å; Y172-L265 HydrophobicContact CD1-CG 4.27Å; Y172-L265 HydrophobicContact CD2-CD1 4.42Å; Y172-L265 HydrophobicContact CE1-CB 3.53Å; Y172-L265 HydrophobicContact CE1-CD1 3.86Å; Y172-L265 HydrophobicContact CE1-CD2 3.72Å; Y172-L265 HydrophobicContact CE1-CG 3.89Å; Y172-L265 HydrophobicContact CE2-CD1 4.32Å; Y172-L265 HydrophobicContact CG-CD1 4.24Å; Y172-L265 WeakPolarHBondContact OH-CA 3.28Å; Y172-L265 PolarHBondContact OH-N 2.82Å; Y172-I268 HydrophobicContact CE2-CD1 3.8Å; Y172-I314 HydrophobicContact CD2-CG2 4.38Å; Y172-L341 HydrophobicContact CG-CD2 4.34Å | ||
| 173 | L | 70.1 | Confident | 80.1 | Confident | 33 Ų | 33 | 22.2 Ų | 22.2 | 17% | 0.173 | 14% | 0.135 | C | C | . | . | trans | -94.8 | 121 | -174.9 | -168.2 | 71.8 | 0 | 0 | 0 | 111.6 | V315 | L173-V315 HydrophobicContact CD2-CB 4.4Å; L173-V315 HydrophobicContact CD2-CG1 4.24Å; L173-V315 PolarHBondContact O-N 3.4Å | ||
| 174 | V | 73.2 | Confident | 80.3 | Confident | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 127 | 171.8 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | S16 F17 Y172 L176 C264 | S16-V174 CarbonylContact C-O 3.42Å; S16-V174 WeakPolarHBondContact CA-O 3.31Å; F17-V174 HydrophobicContact CD1-CB 3.99Å; F17-V174 HydrophobicContact CD1-CG1 4.43Å; F17-V174 HydrophobicContact CE1-CB 3.76Å; F17-V174 HydrophobicContact CE1-CG1 3.88Å; F17-V174 PolarHBondContact N-O 3.22Å; F17-V174 PolarHBondContact O-N 2.87Å; Y172-V174 HydrophobicContact CD2-CG2 4.26Å; Y172-V174 HydrophobicContact CE1-CG2 4.16Å; Y172-V174 HydrophobicContact CE2-CG2 3.39Å; Y172-V174 WeakPolarHBondContact OH-CG2 3.41Å; V174-L176 HydrophobicContact CG1-CD2 3.73Å; V174-L176 HydrophobicContact CG1-CG 4.35Å; V174-C264 HydrophobicContact CG2-CB 4.37Å |
| 175 | N | 73.2 | Confident | 80.5 | Confident | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.4 | 168.7 | -80.7 | 43.5 | 0 | 0 | 0 | 110 | M14 F15 S16 T312 S313 V315 | M14-N175 VanDerWaalsContact CE-ND2 3.34Å; M14-N175 WeakPolarHBondContact CE-ND2 3.36Å; M14-N175 HydrophobicContact CG-CB 4.17Å; M14-N175 HydrophobicContact SD-CB 3.99Å; M14-N175 PolarHBondContact SD-ND2 3.24Å; F15-N175 CarbonylContact O-C 3.59Å; F15-N175 WeakPolarHBondContact O-CA 3.3Å; S16-N175 VanDerWaalsContact CB-OD1 3.26Å; S16-N175 WeakPolarHBondContact CB-OD1 3.46Å; S16-N175 VanDerWaalsContact OG-CG 3.32Å; S16-N175 PolarHBondContact OG-ND2 2.68Å; S16-N175 PolarHBondContact OG-OD1 2.65Å; N175-T312 CarbonylContact O-C 3.59Å; N175-T312 WeakPolarHBondContact O-CA 3.42Å; N175-S313 WeakPolarHBondContact CB-OG 3.45Å; N175-S313 PolarHBondContact N-O 2.9Å; N175-S313 PolarHBondContact O-N 2.9Å; N175-V315 HydrophobicContact CB-CB 4.49Å; N175-V315 HydrophobicContact CB-CG2 3.75Å; N175-V315 WeakPolarHBondContact OD1-CB 3.48Å |
| 176 | L | 78.7 | Confident | 80.4 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 111.7 | 173.1 | -57.4 | -175.4 | 0 | 0 | 0 | 109.2 | F15 F17 V174 A255 L297 Y310 T312 | F15-L176 PolarHBondContact N-O 2.83Å; F15-L176 PolarHBondContact O-N 2.89Å; F17-L176 HydrophobicContact CD1-CD1 4.21Å; F17-L176 HydrophobicContact CD1-CG 4.17Å; F17-L176 HydrophobicContact CE1-CD1 3.64Å; F17-L176 HydrophobicContact CE1-CD2 4.07Å; F17-L176 HydrophobicContact CE1-CG 3.71Å; F17-L176 HydrophobicContact CZ-CD1 4.21Å; V174-L176 HydrophobicContact CG1-CD2 3.73Å; V174-L176 HydrophobicContact CG1-CG 4.35Å; L176-A255 VanDerWaalsContact CD1-O 3.3Å; L176-A255 WeakPolarHBondContact CD1-O 3.09Å; L176-L297 HydrophobicContact CD2-CD2 3.77Å; L176-Y310 HydrophobicContact CB-CD1 3.82Å; L176-Y310 HydrophobicContact CB-CE1 4.49Å; L176-Y310 HydrophobicContact CB-CG 4.19Å; L176-T312 HydrophobicContact CD2-CG2 3.46Å; L176-T312 VanDerWaalsContact CD2-CG2 3.46Å |
| 177 | T | 80.1 | Confident | 80.4 | Confident | 50 Ų | 50 | 26.4 Ų | 26.4 | 31% | 0.307 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 117.6 | 170.4 | -54.2 | 0 | 0 | 0 | 0 | 108.4 | Y310 E311 | T177-Y310 CarbonylContact O-C 3.51Å; T177-Y310 VanDerWaalsContact O-CA 3.26Å; T177-Y310 WeakPolarHBondContact O-CA 3.24Å; T177-E311 WeakPolarHBondContact CB-O 3.47Å; T177-E311 PolarHBondContact N-O 3.29Å; T177-E311 PolarHBondContact O-N 3.28Å |
| 178 | P | 83.5 | Confident | 80.1 | Confident | 40 Ų | 40 | 29.1 Ų | 29.1 | 26% | 0.26 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 139.2 | 178.8 | 26.5 | -33.3 | 0 | 0 | 0 | 111 | Y310 | P178-Y310 HydrophobicContact CB-CD1 4.18Å; P178-Y310 HydrophobicContact CB-CE1 4.06Å |
| 179 | I | 83.8 | Confident | 80.1 | Confident | 39 Ų | 39 | 29.3 Ų | 29.3 | 20% | 0.2 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 160 | 176.8 | 65.5 | 168.3 | 0 | 0 | 0 | 112 | L296 F309 E311 F413 | I179-L296 HydrophobicContact CD1-CD1 3.62Å; I179-F309 HydrophobicContact CD1-CB 4.29Å; I179-F309 HydrophobicContact CG1-CB 3.7Å; I179-F309 PolarHBondContact N-O 3.3Å; I179-E311 HydrophobicContact CD1-CB 4.46Å; I179-E311 HydrophobicContact CG2-CB 3.7Å; I179-F413 HydrophobicContact CB-CD2 4.4Å; I179-F413 HydrophobicContact CG2-CD2 4.47Å |
| 180 | G | 81.1 | Confident | 80.2 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 53% | 0.526 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -64.5 | 148.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P182 | G180-P182 WeakPolarHBondContact O-CD 3.45Š|
| 181 | K | 85.2 | Confident | 80.3 | Confident | 103 Ų | 103 | 33.5 Ų | 33.5 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 118.2 | -179.7 | 177.6 | 166.1 | -173 | 178 | 0 | 111 | E194 F309 | K181-E194 IonicContact NZ-OE1 2.66Å; K181-E194 PolarHBondContact NZ-OE1 2.98Å; K181-E194 IonicContact NZ-OE2 3.9Å; K181-F309 HydrophobicContact CB-CD2 4.09Å; K181-F309 HydrophobicContact CB-CE2 4.11Å; K181-F309 HydrophobicContact CD-CE2 4.18Å; K181-F309 HydrophobicContact CG-CD2 4.17Å; K181-F309 HydrophobicContact CG-CE2 3.67Å; K181-F309 HydrophobicContact CG-CZ 4.4Å |
| 182 | P | 83.7 | Confident | 80.5 | Confident | 25 Ų | 25 | 33.5 Ų | 33.5 | 16% | 0.162 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 164.2 | 173.2 | 31.4 | -34.5 | 0 | 0 | 0 | 110.8 | G180 L184 I229 L296 F309 | G180-P182 WeakPolarHBondContact O-CD 3.45Å; P182-L184 HydrophobicContact CG-CD2 4.46Å; P182-L184 PolarHBondContact O-N 3.31Å; P182-I229 HydrophobicContact CB-CG1 4.03Å; P182-I229 HydrophobicContact CG-CG1 4.07Å; P182-L296 HydrophobicContact CG-CD2 4.44Å; P182-F309 VanDerWaalsContact CD-CD1 3.48Å; P182-F309 VanDerWaalsContact CD-CG 3.46Å; P182-F309 HydrophobicContact CG-CD1 3.75Å; P182-F309 HydrophobicContact CG-CE1 3.73Å; P182-F309 HydrophobicContact CG-CG 4.26Å; P182-F309 HydrophobicContact CG-CZ 4.25Å |
| 183 | S | 84.8 | Confident | 80.7 | Confident | 70 Ų | 70 | 33.6 Ų | 33.6 | 49% | 0.49 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -66.6 | 117.5 | 173.3 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | Q228 I229 | S183-Q228 CarbonylContact O-C 3.57Å; S183-Q228 VanDerWaalsContact O-CA 3.31Å; S183-Q228 WeakPolarHBondContact O-CA 3.41Å; S183-Q228 PolarHBondContact OG-NE2 3.4Å; S183-I229 PolarHBondContact O-N 2.69Å |
| 184 | L | 85.7 | Confident | 81.1 | Confident | 26 Ų | 26 | 34.9 Ų | 34.9 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -90.9 | 145.2 | 175.1 | -59.9 | -174 | 0 | 0 | 0 | 110.8 | P182 S186 V190 I229 L231 F309 | P182-L184 HydrophobicContact CG-CD2 4.46Å; P182-L184 PolarHBondContact O-N 3.31Å; L184-S186 PolarHBondContact O-N 2.91Å; L184-V190 HydrophobicContact CD1-CG1 3.9Å; L184-V190 HydrophobicContact CD1-CG2 4.45Å; L184-I229 WeakPolarHBondContact CA-O 3.48Å; L184-I229 HydrophobicContact CD2-CB 4.01Å; L184-I229 HydrophobicContact CD2-CG2 4.34Å; L184-L231 HydrophobicContact CD2-CD1 4.2Å; L184-F309 HydrophobicContact CD1-CZ 4.21Å; L184-F309 HydrophobicContact CD2-CE1 4.17Å; L184-F309 HydrophobicContact CD2-CZ 3.92Å; L184-F309 HydrophobicContact CG-CZ 4.41Å |
| 185 | V | 85.1 | Confident | 80.7 | Confident | 14 Ų | 14 | 36.2 Ų | 36.2 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -70.5 | 125.4 | 165.5 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | S187 T224 Q228 I229 V914 | V185-S187 PolarHBondContact O-N 2.83Å; V185-T224 HydrophobicContact CG2-CG2 3.69Å; V185-Q228 HydrophobicContact CG2-CB 3.84Å; V185-I229 PolarHBondContact N-O 3.42Å; V185-V914 HydrophobicContact CG1-CG2 3.69Å |
| 186 | S | 81.7 | Confident | 79.7 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 44% | 0.441 | 24% | 0.239 | S | C | . | . | trans | -73.6 | 86.5 | -177.2 | -170 | 0 | 0 | 0 | 0 | 111.4 | L184 K191 | L184-S186 PolarHBondContact O-N 2.91Å; S186-K191 VanDerWaalsContact OG-CE 3.31Å; S186-K191 WeakPolarHBondContact OG-CE 3.43Å | ||
| 187 | S | 82.7 | Confident | 78.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | trans | -114.7 | 162.1 | -173 | 80.9 | 0 | 0 | 0 | 0 | 112.1 | V185 L189 V190 K191 Y916 | V185-S187 PolarHBondContact O-N 2.83Å; S187-L189 PolarHBondContact O-N 3.34Å; S187-V190 PolarHBondContact O-N 2.99Å; S187-V190 WeakPolarHBondContact OG-CG2 3.27Å; S187-V190 PolarHBondContact OG-N 2.91Å; S187-K191 WeakPolarHBondContact O-CG 3.23Å; S187-K191 PolarHBondContact O-N 2.94Å; S187-Y916 WeakPolarHBondContact CB-OH 3.36Å; S187-Y916 PolarHBondContact OG-OH 3.01Å | ||
| 188 | L | 77.5 | Confident | 76.9 | Confident | 57 Ų | 57 | 46.2 Ų | 46.2 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -34.8 | 179.2 | -69.5 | 170.7 | 0 | 0 | 0 | 112.3 | S192 Y916 M924 | L188-S192 PolarHBondContact O-N 2.63Å; L188-Y916 HydrophobicContact CB-CE2 3.78Å; L188-Y916 HydrophobicContact CD1-CD2 4.32Å; L188-Y916 HydrophobicContact CD1-CE2 4.15Å; L188-Y916 HydrophobicContact CG-CE2 4.18Å; L188-Y916 PolarHBondContact N-OH 3.1Å; L188-M924 HydrophobicContact CB-CE 3.73Å |
| 189 | L | 84.6 | Confident | 74.8 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 175.2 | -179.7 | 58.1 | 0 | 0 | 0 | 111.4 | S187 K191 S192 L193 L231 L233 W248 Y916 M924 | S187-L189 PolarHBondContact O-N 3.34Å; L189-K191 PolarHBondContact O-N 2.98Å; L189-S192 PolarHBondContact O-N 3.2Å; L189-L193 HydrophobicContact CD1-CD1 3.95Å; L189-L193 HydrophobicContact CD1-CG 4.21Å; L189-L193 HydrophobicContact CG-CD1 4.04Å; L189-L193 WeakPolarHBondContact O-CG 3.16Å; L189-L193 PolarHBondContact O-N 2.73Å; L189-L231 HydrophobicContact CD2-CB 3.88Å; L189-L231 HydrophobicContact CG-CB 4.39Å; L189-L233 HydrophobicContact CD1-CD2 3.86Å; L189-L233 HydrophobicContact CD2-CD2 3.83Å; L189-L233 HydrophobicContact CD2-CG 4.35Å; L189-W248 HydrophobicContact CD1-CH2 4.43Å; L189-W248 HydrophobicContact CD1-CZ2 4.42Å; L189-W248 HydrophobicContact CD2-CZ2 3.97Å; L189-Y916 WeakPolarHBondContact CB-OH 3.27Å; L189-Y916 PolarHBondContact N-OH 2.94Å; L189-M924 HydrophobicContact CB-CE 4.22Å |
| 190 | V | 84 | Confident | 72.9 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.9 | -46.7 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | L184 S187 S192 L193 E194 L231 | L184-V190 HydrophobicContact CD1-CG1 3.9Å; L184-V190 HydrophobicContact CD1-CG2 4.45Å; S187-V190 PolarHBondContact O-N 2.99Å; S187-V190 WeakPolarHBondContact OG-CG2 3.27Å; S187-V190 PolarHBondContact OG-N 2.91Å; V190-S192 PolarHBondContact O-N 2.76Å; V190-L193 PolarHBondContact O-N 2.89Å; V190-L193 VanDerWaalsContact O-N 3.11Å; V190-E194 HydrophobicContact CG1-CG 4.27Å; V190-E194 WeakPolarHBondContact O-CG 3.43Å; V190-E194 PolarHBondContact O-N 3.17Å; V190-L231 HydrophobicContact CG2-CB 4.35Å; V190-L231 HydrophobicContact CG2-CD1 3.87Å; V190-L231 HydrophobicContact CG2-CD2 4.07Å; V190-L231 HydrophobicContact CG2-CG 4.31Å |
| 191 | K | 80.5 | Confident | 70.5 | Confident | 90 Ų | 90 | 51.6 Ų | 51.6 | 39% | 0.391 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.8 | -29.7 | 177.7 | -70.2 | 177.8 | -179.1 | -175.6 | 0 | 113.4 | S186 S187 L189 T195 Q940 | S186-K191 VanDerWaalsContact OG-CE 3.31Å; S186-K191 WeakPolarHBondContact OG-CE 3.43Å; S187-K191 WeakPolarHBondContact O-CG 3.23Å; S187-K191 PolarHBondContact O-N 2.94Å; L189-K191 PolarHBondContact O-N 2.98Å; K191-T195 PolarHBondContact O-OG1 2.91Å; K191-Q940 PolarHBondContact O-NE2 2.85Å |
| 192 | S | 77.5 | Confident | 68.2 | Low | 9 Ų | 9 | 54.6 Ų | 54.6 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -80.8 | -29.1 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 114.4 | L188 L189 V190 T195 F198 I929 | L188-S192 PolarHBondContact O-N 2.63Å; L189-S192 PolarHBondContact O-N 3.2Å; V190-S192 PolarHBondContact O-N 2.76Å; S192-T195 WeakPolarHBondContact CA-OG1 3.43Å; S192-T195 PolarHBondContact O-OG1 3.25Å; S192-F198 WeakPolarHBondContact O-CD2 3.28Å; S192-I929 WeakPolarHBondContact OG-CG2 3.47Å |
| 193 | L | 78.7 | Confident | 65.8 | Low | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -82.9 | -24 | 178.5 | -67.7 | 172.4 | 0 | 0 | 0 | 112.3 | L189 V190 F198 L231 W248 Y300 | L189-L193 HydrophobicContact CD1-CD1 3.95Å; L189-L193 HydrophobicContact CD1-CG 4.21Å; L189-L193 HydrophobicContact CG-CD1 4.04Å; L189-L193 WeakPolarHBondContact O-CG 3.16Å; L189-L193 PolarHBondContact O-N 2.73Å; V190-L193 PolarHBondContact O-N 2.89Å; V190-L193 VanDerWaalsContact O-N 3.11Å; L193-F198 HydrophobicContact CD2-CE1 4.3Å; L193-F198 HydrophobicContact CD2-CE2 4.45Å; L193-F198 HydrophobicContact CD2-CZ 4.18Å; L193-L231 HydrophobicContact CD1-CD2 3.71Å; L193-W248 HydrophobicContact CD1-CD2 4.23Å; L193-W248 HydrophobicContact CD1-CE3 3.77Å; L193-W248 HydrophobicContact CD1-CH2 4.35Å; L193-W248 HydrophobicContact CD1-CZ3 3.85Å; L193-W248 HydrophobicContact CD2-CZ3 4.14Å; L193-Y300 HydrophobicContact CB-CD1 3.6Å; L193-Y300 HydrophobicContact CB-CD2 4.49Å; L193-Y300 HydrophobicContact CB-CE1 3.48Å; L193-Y300 VanDerWaalsContact CB-CE1 3.48Å; L193-Y300 HydrophobicContact CB-CE2 4.42Å; L193-Y300 HydrophobicContact CB-CG 4.11Å; L193-Y300 HydrophobicContact CD1-CD2 4.28Å; L193-Y300 HydrophobicContact CD1-CE2 4.03Å; L193-Y300 WeakPolarHBondContact O-CD1 3.21Å |
| 194 | E | 76.9 | Confident | 63.4 | Low | 59 Ų | 59 | 60 Ų | 60 | 28% | 0.276 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -91.5 | -0.7 | 175.3 | -62.5 | -169.4 | 154.4 | 0 | 0 | 113.7 | K181 V190 Y300 P307 | K181-E194 IonicContact NZ-OE1 2.66Å; K181-E194 PolarHBondContact NZ-OE1 2.98Å; K181-E194 IonicContact NZ-OE2 3.9Å; V190-E194 HydrophobicContact CG1-CG 4.27Å; V190-E194 WeakPolarHBondContact O-CG 3.43Å; V190-E194 PolarHBondContact O-N 3.17Å; E194-Y300 HydrophobicContact CG-CE1 3.87Å; E194-P307 WeakPolarHBondContact OE1-CD 3.34Å; E194-P307 WeakPolarHBondContact OE1-CG 3.45Å |
| 195 | T | 66.2 | Low | 60.6 | Low | 33 Ų | 33 | 65.5 Ų | 65.5 | 20% | 0.202 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -80.3 | 139.4 | 177.6 | 21.3 | 0 | 0 | 0 | 0 | 114.2 | K191 S192 N197 F198 Q940 | K191-T195 PolarHBondContact O-OG1 2.91Å; S192-T195 WeakPolarHBondContact CA-OG1 3.43Å; S192-T195 PolarHBondContact O-OG1 3.25Å; T195-N197 PolarHBondContact O-N 2.83Å; T195-N197 VanDerWaalsContact O-N 3.13Å; T195-F198 WeakPolarHBondContact O-CB 3.18Å; T195-F198 PolarHBondContact O-N 2.61Å; T195-Q940 PolarHBondContact OG1-NE2 3.29Å |
| 196 | P | 52.5 | Low | 58.1 | Low | 88 Ų | 88 | 67.6 Ų | 67.6 | 57% | 0.571 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -56.4 | -29.2 | 176.9 | -27.5 | 35.6 | 0 | 0 | 0 | 115.5 | F198 C199 | P196-F198 PolarHBondContact O-N 3.46Å; P196-F198 VanDerWaalsContact O-N 3.13Å; P196-C199 VanDerWaalsContact O-CB 3.29Å; P196-C199 WeakPolarHBondContact O-CB 3.3Å; P196-C199 PolarHBondContact O-N 2.93Å |
| 197 | N | 48.6 | Very low | 56 | Low | 121 Ų | 121 | 69.1 Ų | 69.1 | 65% | 0.647 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -67.3 | -8.9 | 177.5 | -67.1 | 16.5 | 0 | 0 | 0 | 113.6 | T195 | T195-N197 PolarHBondContact O-N 2.83Å; T195-N197 VanDerWaalsContact O-N 3.13Å |
| 198 | F | 50.2 | Low | 53.7 | Low | 55 Ų | 55 | 74 Ų | 74 | 24% | 0.241 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -86.1 | -15.5 | 171 | -138 | -83.8 | 0 | 0 | 0 | 112.5 | S192 L193 T195 P196 L200 | S192-F198 WeakPolarHBondContact O-CD2 3.28Å; L193-F198 HydrophobicContact CD2-CE1 4.3Å; L193-F198 HydrophobicContact CD2-CE2 4.45Å; L193-F198 HydrophobicContact CD2-CZ 4.18Å; T195-F198 WeakPolarHBondContact O-CB 3.18Å; T195-F198 PolarHBondContact O-N 2.61Å; P196-F198 PolarHBondContact O-N 3.46Å; P196-F198 VanDerWaalsContact O-N 3.13Å; F198-L200 PolarHBondContact O-N 2.87Å |
| 199 | C | 39.7 | Very low | 51.5 | Low | 36 Ų | 36 | 74.2 Ų | 74.2 | 24% | 0.243 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -73.9 | 117.1 | 165.4 | -58.4 | 0 | 0 | 0 | 0 | 108.4 | P196 S201 C302 | P196-C199 VanDerWaalsContact O-CB 3.29Å; P196-C199 WeakPolarHBondContact O-CB 3.3Å; P196-C199 PolarHBondContact O-N 2.93Å; C199-S201 PolarHBondContact O-N 3.2Å; C199-C302 WeakPolarHBondContact CB-O 3.25Å |
| 200 | L | 43.2 | Very low | 49.1 | Very low | 94 Ų | 94 | 76.7 Ų | 76.7 | 49% | 0.492 | 43% | 0.428 | S | S | . | . | trans | -67.5 | 94.6 | 179.7 | -71.8 | 166.7 | 0 | 0 | 0 | 110.5 | F198 E202 C203 | F198-L200 PolarHBondContact O-N 2.87Å; L200-E202 PolarHBondContact O-N 2.74Å; L200-C203 PolarHBondContact O-N 3.45Å | ||
| 201 | S | 32.5 | Very low | 46.9 | Very low | 114 Ų | 114 | 80.7 Ų | 80.7 | 80% | 0.797 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -1.6 | -177.5 | 54.5 | 0 | 0 | 0 | 0 | 114.9 | C199 | C199-S201 PolarHBondContact O-N 3.2Š|
| 202 | E | 36.2 | Very low | 44.9 | Very low | 165 Ų | 165 | 83.7 Ų | 83.7 | 77% | 0.771 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 5.1 | 179.4 | -62 | -178.1 | 154.5 | 0 | 0 | 112.9 | L200 T204 | L200-E202 PolarHBondContact O-N 2.74Å; E202-T204 PolarHBondContact O-N 2.84Å |
| 203 | C | 34.1 | Very low | 43.2 | Very low | 81 Ų | 81 | 86.3 Ų | 86.3 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 42.8 | 172.8 | -70 | 0 | 0 | 0 | 0 | 113.7 | L200 | L200-C203 PolarHBondContact O-N 3.45Š|
| 204 | T | 33 | Very low | 41.8 | Very low | 129 Ų | 129 | 87.4 Ų | 87.4 | 79% | 0.791 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -15.1 | 171.7 | 43.5 | 0 | 0 | 0 | 0 | 113.2 | E202 | E202-T204 PolarHBondContact O-N 2.84Š|
| 205 | E | 28.4 | Very low | 41 | Very low | 140 Ų | 140 | 88.9 Ų | 88.9 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -84.6 | 178.4 | 177.5 | -60.9 | -164.3 | 144.7 | 0 | 0 | 113 | ||
| 206 | S | 32.4 | Very low | 41.1 | Very low | 59 Ų | 59 | 88.6 Ų | 88.6 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | trans | -65 | 160.5 | -161.5 | 86.8 | 0 | 0 | 0 | 0 | 114.2 | N208 D209 | S206-N208 PolarHBondContact O-N 3.14Å; S206-N208 PolarHBondContact OG-N 2.67Å; S206-D209 PolarHBondContact O-N 3.38Å; S206-D209 PolarHBondContact OG-OD2 3.27Å | ||
| 207 | L | 36.2 | Very low | 42.3 | Very low | 95 Ų | 95 | 85.8 Ų | 85.8 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -17.1 | 176.9 | -161.3 | 71.6 | 0 | 0 | 0 | 113.5 | V61 | V61-L207 HydrophobicContact CG1-CD2 3.99Š|
| 208 | N | 34.8 | Very low | 44 | Very low | 111 Ų | 111 | 81 Ų | 81 | 59% | 0.594 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -19.7 | 179.9 | -56.7 | -12.3 | 0 | 0 | 0 | 113.3 | S206 | S206-N208 PolarHBondContact O-N 3.14Å; S206-N208 PolarHBondContact OG-N 2.67Å |
| 209 | D | 32.4 | Very low | 45.7 | Very low | 61 Ų | 61 | 78.4 Ų | 78.4 | 33% | 0.326 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -86 | -8.8 | -176.1 | -82.8 | -85.7 | 0 | 0 | 0 | 113.6 | S206 D211 K212 | S206-D209 PolarHBondContact O-N 3.38Å; S206-D209 PolarHBondContact OG-OD2 3.27Å; D209-D211 PolarHBondContact O-N 3.1Å; D209-D211 VanDerWaalsContact O-N 3.14Å; D209-K212 WeakPolarHBondContact O-CB 3.41Å; D209-K212 PolarHBondContact O-N 2.98Å; D209-K212 IonicContact OD1-NZ 2.71Å; D209-K212 PolarHBondContact OD1-NZ 2.7Å |
| 210 | C | 33.9 | Very low | 47.9 | Very low | 56 Ų | 56 | 77 Ų | 77 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -63.7 | -12.2 | 170.4 | -70.4 | 0 | 0 | 0 | 0 | 113.6 | K212 | C210-K212 PolarHBondContact O-N 3.11Š|
| 211 | D | 37.8 | Very low | 49.9 | Very low | 89 Ų | 89 | 72.5 Ų | 72.5 | 48% | 0.476 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -70.7 | -8.3 | 170.3 | -71.7 | -20.6 | 0 | 0 | 0 | 112.7 | S59 D209 G213 | S59-D211 WeakPolarHBondContact CB-OD2 3.39Å; S59-D211 PolarHBondContact OG-OD1 3.27Å; S59-D211 PolarHBondContact OG-OD2 3.29Å; D209-D211 PolarHBondContact O-N 3.1Å; D209-D211 VanDerWaalsContact O-N 3.14Å; D211-G213 PolarHBondContact O-N 2.92Å |
| 212 | K | 38 | Very low | 52.3 | Low | 152 Ų | 152 | 67.7 Ų | 67.7 | 66% | 0.661 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 64.4 | 164.3 | -71.7 | 174.9 | -179.4 | 133.4 | 0 | 111.6 | D209 C210 S214 | D209-K212 WeakPolarHBondContact O-CB 3.41Å; D209-K212 PolarHBondContact O-N 2.98Å; D209-K212 IonicContact OD1-NZ 2.71Å; D209-K212 PolarHBondContact OD1-NZ 2.7Å; C210-K212 PolarHBondContact O-N 3.11Å; K212-S214 PolarHBondContact O-N 3.48Å |
| 213 | G | 41.9 | Very low | 54.4 | Low | 64 Ų | 64 | 62.6 Ų | 62.6 | 66% | 0.66 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 52.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D211 D215 | D211-G213 PolarHBondContact O-N 2.92Å; G213-D215 PolarHBondContact O-N 3.03Å |
| 214 | S | 48.5 | Very low | 56.6 | Low | 34 Ų | 34 | 60.7 Ų | 60.7 | 24% | 0.238 | 34% | 0.341 | C | S | . | . | trans | -51 | 112.7 | 167.3 | 41.3 | 0 | 0 | 0 | 0 | 109.1 | K212 V216 R259 | K212-S214 PolarHBondContact O-N 3.48Å; S214-V216 PolarHBondContact O-N 3.22Å; S214-R259 PolarHBondContact OG-NH1 3.22Å | ||
| 215 | D | 60 | Low | 58.6 | Low | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | trans | -77.1 | 69.5 | -162.8 | -167.2 | 37.9 | 0 | 0 | 0 | 111.2 | G213 R217 | G213-D215 PolarHBondContact O-N 3.03Å; D215-R217 PolarHBondContact O-N 2.97Å; D215-R217 IonicContact OD2-CZ 3.76Å; D215-R217 IonicContact OD2-NE 3.23Å; D215-R217 PolarHBondContact OD2-NE 2.85Å; D215-R217 IonicContact OD2-NH2 3.04Å; D215-R217 PolarHBondContact OD2-NH2 2.9Å | ||
| 216 | V | 68.3 | Low | 60.9 | Low | 27 Ų | 27 | 61.6 Ų | 61.6 | 16% | 0.164 | 35% | 0.345 | C | S | . | . | trans | -73.7 | 95.2 | -172.9 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | L123 S214 I249 S250 G251 V252 R259 | L123-V216 HydrophobicContact CD1-CG1 3.61Å; S214-V216 PolarHBondContact O-N 3.22Å; V216-I249 HydrophobicContact CG1-CD1 3.76Å; V216-I249 HydrophobicContact CG1-CG1 3.72Å; V216-S250 VanDerWaalsContact CA-O 3.3Å; V216-S250 WeakPolarHBondContact CA-O 3.37Å; V216-G251 WeakPolarHBondContact CG2-O 3.13Å; V216-V252 HydrophobicContact CG1-CG1 4.01Å; V216-V252 HydrophobicContact CG2-CG1 4.1Å; V216-R259 VanDerWaalsContact CG2-NH1 3.28Å | ||
| 217 | R | 77.8 | Confident | 62.9 | Low | 28 Ų | 28 | 59.8 Ų | 59.8 | 11% | 0.106 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 148.3 | 173.1 | -58.6 | 163.4 | -168.1 | -169.5 | -0.6 | 109.7 | D215 W248 S250 H927 | D215-R217 PolarHBondContact O-N 2.97Å; D215-R217 IonicContact OD2-CZ 3.76Å; D215-R217 IonicContact OD2-NE 3.23Å; D215-R217 PolarHBondContact OD2-NE 2.85Å; D215-R217 IonicContact OD2-NH2 3.04Å; D215-R217 PolarHBondContact OD2-NH2 2.9Å; R217-W248 HydrophobicContact CB-CH2 4.1Å; R217-W248 HydrophobicContact CB-CZ3 4.19Å; R217-S250 PolarHBondContact N-O 2.86Å; R217-S250 PolarHBondContact O-N 2.94Å; R217-S250 PolarHBondContact O-OG 3.43Å; R217-H927 PolarHBondContact NH2-O 2.96Å |
| 218 | F | 84.8 | Confident | 65.1 | Low | 21 Ų | 21 | 57.9 Ų | 57.9 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 168.7 | 173.7 | 84.8 | -78.8 | 0 | 0 | 0 | 111.3 | L121 L123 W248 I249 A263 | L121-F218 HydrophobicContact CD1-CE2 4.41Å; L121-F218 HydrophobicContact CD1-CZ 4.04Å; L121-F218 HydrophobicContact CD2-CE1 3.5Å; L121-F218 VanDerWaalsContact CD2-CE1 3.5Å; L121-F218 HydrophobicContact CD2-CE2 4.36Å; L121-F218 HydrophobicContact CD2-CZ 3.4Å; L121-F218 VanDerWaalsContact CD2-CZ 3.4Å; L121-F218 HydrophobicContact CG-CE1 4.19Å; L121-F218 HydrophobicContact CG-CE2 4.44Å; L121-F218 HydrophobicContact CG-CZ 3.6Å; L123-F218 HydrophobicContact CD1-CB 4.38Å; L123-F218 HydrophobicContact CD1-CD1 3.59Å; L123-F218 HydrophobicContact CD1-CE1 4.04Å; L123-F218 HydrophobicContact CD1-CG 4.19Å; L123-F218 HydrophobicContact CD2-CD1 3.73Å; L123-F218 HydrophobicContact CD2-CD2 4.41Å; L123-F218 HydrophobicContact CD2-CE1 3.49Å; L123-F218 VanDerWaalsContact CD2-CE1 3.49Å; L123-F218 HydrophobicContact CD2-CE2 4.21Å; L123-F218 HydrophobicContact CD2-CG 4.15Å; L123-F218 HydrophobicContact CD2-CZ 3.71Å; L123-F218 HydrophobicContact CG-CD1 3.63Å; L123-F218 HydrophobicContact CG-CE1 3.52Å; L123-F218 HydrophobicContact CG-CG 4.43Å; L123-F218 HydrophobicContact CG-CZ 4.25Å; F218-W248 CarbonylContact C-O 3.54Å; F218-W248 WeakPolarHBondContact CA-O 3.49Å; F218-W248 VanDerWaalsContact CB-O 3.24Å; F218-W248 WeakPolarHBondContact CB-O 2.94Å; F218-I249 HydrophobicContact CB-CB 4.21Å; F218-I249 HydrophobicContact CB-CG1 4.14Å; F218-A263 HydrophobicContact CD2-CB 4.36Å |
| 219 | G | 85.2 | Confident | 67.5 | Low | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | -160.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H232 I247 W248 | G219-H232 CarbonylContact C-O 3.51Å; G219-H232 WeakPolarHBondContact CA-O 3.21Å; G219-I247 CarbonylContact O-C 3.59Å; G219-I247 WeakPolarHBondContact O-CA 3.28Å; G219-I247 WeakPolarHBondContact O-CB 3.45Å; G219-W248 VanDerWaalsContact C-CD1 3.45Å; G219-W248 PolarHBondContact N-O 3.07Å; G219-W248 PolarHBondContact O-N 3.1Å |
| 220 | Y | 86.2 | Confident | 70.1 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.027 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 152.5 | -166.6 | -65.6 | -102.2 | 0 | 0 | 0 | 111.5 | L121 H232 A234 I239 P244 G246 I247 F267 | L121-Y220 HydrophobicContact CD1-CE2 4.16Å; L121-Y220 WeakPolarHBondContact CD1-OH 3.45Å; Y220-H232 PolarHBondContact N-O 2.9Å; Y220-H232 PolarHBondContact O-N 3.06Å; Y220-A234 HydrophobicContact CD2-CB 4.47Å; Y220-A234 HydrophobicContact CE2-CB 4.12Å; Y220-I239 HydrophobicContact CD1-CG2 4.11Å; Y220-I239 HydrophobicContact CD2-CD1 3.4Å; Y220-I239 HydrophobicContact CD2-CG1 4.08Å; Y220-I239 HydrophobicContact CD2-CG2 3.98Å; Y220-I239 HydrophobicContact CE1-CG2 4.27Å; Y220-I239 HydrophobicContact CE2-CD1 4.11Å; Y220-I239 HydrophobicContact CE2-CG2 4.15Å; Y220-I239 HydrophobicContact CG-CD1 3.96Å; Y220-I239 HydrophobicContact CG-CG1 4.16Å; Y220-I239 HydrophobicContact CG-CG2 3.95Å; Y220-P244 HydrophobicContact CD1-CB 4.06Å; Y220-P244 HydrophobicContact CD1-CG 4.02Å; Y220-G246 WeakPolarHBondContact CA-O 3.4Å; Y220-I247 HydrophobicContact CD1-CG2 4.3Å; Y220-F267 AromaticContact CD1-CD2 3.87Å; Y220-F267 HydrophobicContact CD1-CD2 3.87Å; Y220-F267 HydrophobicContact CD1-CE2 4.13Å; Y220-F267 AromaticContact CE1-CD2 3.84Å; Y220-F267 HydrophobicContact CE1-CD2 3.84Å; Y220-F267 HydrophobicContact CE1-CE2 4.46Å |
| 221 | L | 86.5 | Confident | 72.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121.7 | 175 | -61.3 | 179 | 0 | 0 | 0 | 109 | I229 S230 L231 P244 V245 G246 I247 W248 L296 A298 | L221-I229 HydrophobicContact CB-CG2 3.9Å; L221-I229 HydrophobicContact CD1-CG2 4.33Å; L221-I229 HydrophobicContact CD2-CG2 3.74Å; L221-I229 HydrophobicContact CG-CG2 4.21Å; L221-S230 WeakPolarHBondContact CA-O 3.07Å; L221-L231 HydrophobicContact CD2-CD1 3.57Å; L221-L231 HydrophobicContact CD2-CG 3.62Å; L221-P244 CarbonylContact O-C 3.58Å; L221-P244 VanDerWaalsContact O-CA 3.29Å; L221-P244 WeakPolarHBondContact O-CA 3.48Å; L221-P244 WeakPolarHBondContact O-CB 2.98Å; L221-V245 HydrophobicContact CB-CG2 4.27Å; L221-V245 WeakPolarHBondContact O-CG2 3.46Å; L221-V245 PolarHBondContact O-N 2.97Å; L221-G246 PolarHBondContact N-O 3.25Å; L221-G246 PolarHBondContact O-N 2.97Å; L221-I247 VanDerWaalsContact CD1-O 3.28Å; L221-I247 WeakPolarHBondContact CD1-O 3.23Å; L221-W248 HydrophobicContact CD2-CB 4.02Å; L221-W248 HydrophobicContact CD2-CG 4.4Å; L221-L296 HydrophobicContact CD1-CB 4.15Å; L221-L296 HydrophobicContact CD1-CD2 3.74Å; L221-L296 HydrophobicContact CD1-CG 3.66Å; L221-A298 HydrophobicContact CD1-CB 4.11Å |
| 222 | N | 82.6 | Confident | 75 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 153 | 169.6 | -83.4 | -34 | 0 | 0 | 0 | 109.8 | I229 S230 H232 S242 P244 | N222-I229 CarbonylContact O-C 3.52Å; N222-I229 VanDerWaalsContact O-CA 3.31Å; N222-I229 WeakPolarHBondContact O-CA 3.4Å; N222-S230 WeakPolarHBondContact CB-OG 3.39Å; N222-S230 PolarHBondContact N-O 2.86Å; N222-S230 PolarHBondContact O-N 3.37Å; N222-H232 PolarHBondContact ND2-CD2 2.96Å; N222-H232 VanDerWaalsContact ND2-CD2 3.26Å; N222-H232 PolarHBondContact ND2-NE2 3.28Å; N222-S242 WeakPolarHBondContact ND2-CB 3.36Å; N222-S242 PolarHBondContact ND2-OG 2.97Å; N222-S242 WeakPolarHBondContact OD1-CB 3.48Å; N222-S242 PolarHBondContact OD1-OG 2.95Å; N222-P244 VanDerWaalsContact OD1-CA 3.25Å; N222-P244 WeakPolarHBondContact OD1-CA 3.37Å |
| 223 | M | 80.6 | Confident | 77.1 | Confident | 57 Ų | 57 | 37.9 Ų | 37.9 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126.4 | 171.8 | -177.1 | 171.8 | 63 | 0 | 0 | 109.3 | Q228 I229 V245 M287 | M223-Q228 CarbonylContact C-O 3.59Å; M223-Q228 WeakPolarHBondContact CA-O 3.36Å; M223-I229 HydrophobicContact CB-CD1 4.16Å; M223-I229 HydrophobicContact CG-CD1 4.34Å; M223-V245 HydrophobicContact CB-CG1 3.92Å; M223-V245 HydrophobicContact CB-CG2 4.2Å; M223-M287 HydrophobicContact CE-CE 4.3Å |
| 224 | T | 79.3 | Confident | 78.7 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | trans | -79.1 | 164.1 | 176.7 | 72.4 | 0 | 0 | 0 | 0 | 111.5 | V185 L226 G227 Q228 | V185-T224 HydrophobicContact CG2-CG2 3.69Å; T224-L226 PolarHBondContact O-N 2.89Å; T224-L226 PolarHBondContact OG1-N 2.93Å; T224-G227 PolarHBondContact O-N 3.44Å; T224-Q228 PolarHBondContact N-O 3.02Å; T224-Q228 PolarHBondContact OG1-N 2.89Å; T224-Q228 PolarHBondContact OG1-O 3.42Å | ||
| 225 | N | 75.1 | Confident | 79.8 | Confident | 155 Ų | 155 | 38.9 Ų | 38.9 | 83% | 0.829 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -14.2 | 174.4 | -62.1 | -20.4 | 0 | 0 | 0 | 113.8 | ||
| 226 | L | 76.8 | Confident | 80.3 | Confident | 132 Ų | 132 | 34.9 Ų | 34.9 | 69% | 0.691 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 1.2 | 174.5 | -60 | 179.1 | 0 | 0 | 0 | 113.6 | T224 Q228 | T224-L226 PolarHBondContact O-N 2.89Å; T224-L226 PolarHBondContact OG1-N 2.93Å; L226-Q228 VanDerWaalsContact C-N 3.3Å; L226-Q228 HydrophobicContact CB-CG 4.21Å |
| 227 | G | 74.4 | Confident | 80.2 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 22% | 0.216 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 73 | 19.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114 | T224 | T224-G227 PolarHBondContact O-N 3.44Š|
| 228 | Q | 82.2 | Confident | 79.7 | Confident | 56 Ų | 56 | 39 Ų | 39 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -94.1 | 157.4 | 173.1 | -54.4 | -172.1 | -73.2 | 0 | 0 | 110.5 | S183 V185 M223 T224 L226 | S183-Q228 CarbonylContact O-C 3.57Å; S183-Q228 VanDerWaalsContact O-CA 3.31Å; S183-Q228 WeakPolarHBondContact O-CA 3.41Å; S183-Q228 PolarHBondContact OG-NE2 3.4Å; V185-Q228 HydrophobicContact CG2-CB 3.84Å; M223-Q228 CarbonylContact C-O 3.59Å; M223-Q228 WeakPolarHBondContact CA-O 3.36Å; T224-Q228 PolarHBondContact N-O 3.02Å; T224-Q228 PolarHBondContact OG1-N 2.89Å; T224-Q228 PolarHBondContact OG1-O 3.42Å; L226-Q228 VanDerWaalsContact C-N 3.3Å; L226-Q228 HydrophobicContact CB-CG 4.21Å |
| 229 | I | 85.5 | Confident | 78.8 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.3 | 179.5 | -55.8 | -59.3 | 0 | 0 | 0 | 110.4 | P182 S183 L184 V185 L221 N222 M223 V245 L296 | P182-I229 HydrophobicContact CB-CG1 4.03Å; P182-I229 HydrophobicContact CG-CG1 4.07Å; S183-I229 PolarHBondContact O-N 2.69Å; L184-I229 WeakPolarHBondContact CA-O 3.48Å; L184-I229 HydrophobicContact CD2-CB 4.01Å; L184-I229 HydrophobicContact CD2-CG2 4.34Å; V185-I229 PolarHBondContact N-O 3.42Å; L221-I229 HydrophobicContact CB-CG2 3.9Å; L221-I229 HydrophobicContact CD1-CG2 4.33Å; L221-I229 HydrophobicContact CD2-CG2 3.74Å; L221-I229 HydrophobicContact CG-CG2 4.21Å; N222-I229 CarbonylContact O-C 3.52Å; N222-I229 VanDerWaalsContact O-CA 3.31Å; N222-I229 WeakPolarHBondContact O-CA 3.4Å; M223-I229 HydrophobicContact CB-CD1 4.16Å; M223-I229 HydrophobicContact CG-CD1 4.34Å; I229-V245 HydrophobicContact CD1-CG2 4.04Å; I229-L296 HydrophobicContact CD1-CD2 3.97Å; I229-L296 HydrophobicContact CG1-CD2 3.98Å; I229-L296 HydrophobicContact CG2-CD2 4.34Å |
| 230 | S | 86.6 | Confident | 77.7 | Confident | 16 Ų | 16 | 42 Ų | 42 | 11% | 0.112 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.6 | 170.1 | 58.2 | 0 | 0 | 0 | 0 | 111 | L221 N222 H232 | L221-S230 WeakPolarHBondContact CA-O 3.07Å; N222-S230 WeakPolarHBondContact CB-OG 3.39Å; N222-S230 PolarHBondContact N-O 2.86Å; N222-S230 PolarHBondContact O-N 3.37Å; S230-H232 PolarHBondContact OG-NE2 2.85Å |
| 231 | L | 89.5 | Confident | 76.5 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.2 | 174.6 | -80.8 | 66 | 0 | 0 | 0 | 109.8 | L184 L189 V190 L193 L221 W248 Y300 | L184-L231 HydrophobicContact CD2-CD1 4.2Å; L189-L231 HydrophobicContact CD2-CB 3.88Å; L189-L231 HydrophobicContact CG-CB 4.39Å; V190-L231 HydrophobicContact CG2-CB 4.35Å; V190-L231 HydrophobicContact CG2-CD1 3.87Å; V190-L231 HydrophobicContact CG2-CD2 4.07Å; V190-L231 HydrophobicContact CG2-CG 4.31Å; L193-L231 HydrophobicContact CD1-CD2 3.71Å; L221-L231 HydrophobicContact CD2-CD1 3.57Å; L221-L231 HydrophobicContact CD2-CG 3.62Å; L231-W248 HydrophobicContact CD2-CB 4.17Å; L231-W248 HydrophobicContact CD2-CD2 4.18Å; L231-W248 HydrophobicContact CD2-CG 3.83Å; L231-W248 HydrophobicContact CG-CB 4.36Å; L231-W248 HydrophobicContact CG-CG 3.97Å; L231-Y300 HydrophobicContact CD2-CE2 3.89Å; L231-Y300 WeakPolarHBondContact CD2-OH 3.38Å |
| 232 | H | 84.5 | Confident | 75.5 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 141.9 | 175.8 | -64.6 | -94.6 | 0 | 0 | 0 | 110.2 | G219 Y220 N222 S230 D236 I239 W248 | G219-H232 CarbonylContact C-O 3.51Å; G219-H232 WeakPolarHBondContact CA-O 3.21Å; Y220-H232 PolarHBondContact N-O 2.9Å; Y220-H232 PolarHBondContact O-N 3.06Å; N222-H232 PolarHBondContact ND2-CD2 2.96Å; N222-H232 VanDerWaalsContact ND2-CD2 3.26Å; N222-H232 PolarHBondContact ND2-NE2 3.28Å; S230-H232 PolarHBondContact OG-NE2 2.85Å; H232-D236 HydrophobicContact CB-CB 4.19Å; H232-D236 IonicContact CE1-OD2 2.78Å; H232-D236 IonicContact CG-OD2 3.8Å; H232-D236 IonicContact ND1-OD2 2.79Å; H232-D236 PolarHBondContact ND1-OD2 3.37Å; H232-I239 HydrophobicContact CB-CD1 4.05Å; H232-I239 HydrophobicContact CB-CG1 4.08Å; H232-W248 PolarHBondContact O-NE1 3.37Å |
| 233 | L | 83.6 | Confident | 74.8 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 147.6 | 172.6 | -60.8 | -179 | 0 | 0 | 0 | 110 | L189 T235 D236 I239 W248 T920 Y923 M924 | L189-L233 HydrophobicContact CD1-CD2 3.86Å; L189-L233 HydrophobicContact CD2-CD2 3.83Å; L189-L233 HydrophobicContact CD2-CG 4.35Å; L233-T235 PolarHBondContact O-N 2.88Å; L233-D236 WeakPolarHBondContact O-CB 3.48Å; L233-D236 PolarHBondContact O-N 2.88Å; L233-I239 WeakPolarHBondContact O-CD1 3.35Å; L233-W248 HydrophobicContact CD2-CH2 4.37Å; L233-W248 HydrophobicContact CD2-CZ2 4.01Å; L233-T920 HydrophobicContact CD1-CG2 3.84Å; L233-T920 HydrophobicContact CG-CG2 4.32Å; L233-Y923 HydrophobicContact CD1-CD1 3.31Å; L233-Y923 HydrophobicContact CD1-CE1 3.75Å; L233-Y923 HydrophobicContact CD1-CG 3.94Å; L233-Y923 HydrophobicContact CD2-CE1 4.26Å; L233-M924 HydrophobicContact CD1-CG 4.49Å |
| 234 | A | 75.6 | Confident | 74.5 | Confident | 29 Ų | 29 | 47.6 Ų | 47.6 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -8.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L121 Y220 | L121-A234 HydrophobicContact CD1-CB 4Å; L121-A234 HydrophobicContact CD2-CB 3.67Å; Y220-A234 HydrophobicContact CD2-CB 4.47Å; Y220-A234 HydrophobicContact CE2-CB 4.12Å |
| 235 | T | 71.1 | Confident | 74.4 | Confident | 91 Ų | 91 | 47.2 Ų | 47.2 | 56% | 0.558 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 0.2 | 174.8 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | L233 P237 | L233-T235 PolarHBondContact O-N 2.88Å; T235-P237 WeakPolarHBondContact O-CD 3.33Å |
| 236 | D | 70.4 | Confident | 74.8 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | trans | -74.3 | 119.5 | -177.7 | -170.9 | -15 | 0 | 0 | 0 | 111.1 | H232 L233 I238 I239 | H232-D236 HydrophobicContact CB-CB 4.19Å; H232-D236 IonicContact CE1-OD2 2.78Å; H232-D236 IonicContact CG-OD2 3.8Å; H232-D236 IonicContact ND1-OD2 2.79Å; H232-D236 PolarHBondContact ND1-OD2 3.37Å; L233-D236 WeakPolarHBondContact O-CB 3.48Å; L233-D236 PolarHBondContact O-N 2.88Å; D236-I238 PolarHBondContact O-N 2.99Å; D236-I238 VanDerWaalsContact O-N 3.07Å; D236-I238 WeakPolarHBondContact OD1-CB 3.35Å; D236-I238 WeakPolarHBondContact OD1-CG1 3.47Å; D236-I238 PolarHBondContact OD1-N 3.25Å; D236-I238 VanDerWaalsContact OD1-N 3.1Å; D236-I239 HydrophobicContact CB-CD1 3.98Å; D236-I239 HydrophobicContact CB-CG1 4.44Å; D236-I239 WeakPolarHBondContact O-CB 3.22Å; D236-I239 PolarHBondContact O-N 3.37Å; D236-I239 VanDerWaalsContact O-N 3.08Å | ||
| 237 | P | 66.4 | Low | 75.4 | Confident | 74 Ų | 74 | 33.6 Ų | 33.6 | 48% | 0.481 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -56.5 | -24.9 | 179.1 | -25.8 | 35.5 | 0 | 0 | 0 | 114.3 | T235 I239 L240 | T235-P237 WeakPolarHBondContact O-CD 3.33Å; P237-I239 PolarHBondContact O-N 3.17Å; P237-L240 WeakPolarHBondContact O-CB 3.47Å; P237-L240 PolarHBondContact O-N 2.94Å |
| 238 | I | 67.7 | Low | 76.1 | Confident | 67 Ų | 67 | 32.8 Ų | 32.8 | 34% | 0.344 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -57.7 | -30 | 177.8 | -63.9 | 170.6 | 0 | 0 | 0 | 111.4 | D236 L240 T241 S242 | D236-I238 PolarHBondContact O-N 2.99Å; D236-I238 VanDerWaalsContact O-N 3.07Å; D236-I238 WeakPolarHBondContact OD1-CB 3.35Å; D236-I238 WeakPolarHBondContact OD1-CG1 3.47Å; D236-I238 PolarHBondContact OD1-N 3.25Å; D236-I238 VanDerWaalsContact OD1-N 3.1Å; I238-L240 PolarHBondContact O-N 3.46Å; I238-T241 PolarHBondContact O-N 2.93Å; I238-T241 VanDerWaalsContact O-N 3.08Å; I238-T241 PolarHBondContact O-OG1 3.17Å; I238-S242 VanDerWaalsContact O-CB 3.31Å; I238-S242 WeakPolarHBondContact O-CB 3.27Å; I238-S242 PolarHBondContact O-N 2.94Å; I238-S242 PolarHBondContact O-OG 2.92Å |
| 239 | I | 65.6 | Low | 76.4 | Confident | 13 Ų | 13 | 30.1 Ų | 30.1 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -63.4 | -24.1 | 179.1 | -64 | 157 | 0 | 0 | 0 | 112.2 | Y220 H232 L233 D236 P237 T241 | Y220-I239 HydrophobicContact CD1-CG2 4.11Å; Y220-I239 HydrophobicContact CD2-CD1 3.4Å; Y220-I239 HydrophobicContact CD2-CG1 4.08Å; Y220-I239 HydrophobicContact CD2-CG2 3.98Å; Y220-I239 HydrophobicContact CE1-CG2 4.27Å; Y220-I239 HydrophobicContact CE2-CD1 4.11Å; Y220-I239 HydrophobicContact CE2-CG2 4.15Å; Y220-I239 HydrophobicContact CG-CD1 3.96Å; Y220-I239 HydrophobicContact CG-CG1 4.16Å; Y220-I239 HydrophobicContact CG-CG2 3.95Å; H232-I239 HydrophobicContact CB-CD1 4.05Å; H232-I239 HydrophobicContact CB-CG1 4.08Å; L233-I239 WeakPolarHBondContact O-CD1 3.35Å; D236-I239 HydrophobicContact CB-CD1 3.98Å; D236-I239 HydrophobicContact CB-CG1 4.44Å; D236-I239 WeakPolarHBondContact O-CB 3.22Å; D236-I239 PolarHBondContact O-N 3.37Å; D236-I239 VanDerWaalsContact O-N 3.08Å; P237-I239 PolarHBondContact O-N 3.17Å; I239-T241 VanDerWaalsContact C-N 3.32Å |
| 240 | L | 61.3 | Low | 76.4 | Confident | 71 Ų | 71 | 30 Ų | 30 | 37% | 0.372 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -76.4 | -20 | 178.3 | -55.3 | 178.4 | 0 | 0 | 0 | 113 | P237 I238 L278 | P237-L240 WeakPolarHBondContact O-CB 3.47Å; P237-L240 PolarHBondContact O-N 2.94Å; I238-L240 PolarHBondContact O-N 3.46Å; L240-L278 WeakPolarHBondContact O-CD1 3.43Å |
| 241 | T | 60.9 | Low | 75.7 | Confident | 104 Ų | 104 | 29.7 Ų | 29.7 | 64% | 0.638 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -25.5 | -177.5 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | I238 I239 | I238-T241 PolarHBondContact O-N 2.93Å; I238-T241 VanDerWaalsContact O-N 3.08Å; I238-T241 PolarHBondContact O-OG1 3.17Å; I239-T241 VanDerWaalsContact C-N 3.32Å |
| 242 | S | 65.9 | Low | 75 | Confident | 22 Ų | 22 | 29.5 Ų | 29.5 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -80.2 | 160 | 175.1 | 67.9 | 0 | 0 | 0 | 0 | 113 | N222 I238 P244 | N222-S242 WeakPolarHBondContact ND2-CB 3.36Å; N222-S242 PolarHBondContact ND2-OG 2.97Å; N222-S242 WeakPolarHBondContact OD1-CB 3.48Å; N222-S242 PolarHBondContact OD1-OG 2.95Å; I238-S242 VanDerWaalsContact O-CB 3.31Å; I238-S242 WeakPolarHBondContact O-CB 3.27Å; I238-S242 PolarHBondContact O-N 2.94Å; I238-S242 PolarHBondContact O-OG 2.92Å; S242-P244 WeakPolarHBondContact O-CD 3.34Å |
| 243 | S | 67.8 | Low | 74.3 | Confident | 61 Ų | 61 | 34 Ų | 34 | 43% | 0.427 | 20% | 0.201 | S | C | . | . | trans | -102.2 | 97 | 169.7 | -62.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 244 | P | 75.2 | Confident | 73.6 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 5% | 0.045 | 22% | 0.216 | C | C | . | . | trans | -73.4 | 138.2 | -176.3 | 32.3 | -35.2 | 0 | 0 | 0 | 111 | Y220 L221 N222 S242 F267 N271 I275 | Y220-P244 HydrophobicContact CD1-CB 4.06Å; Y220-P244 HydrophobicContact CD1-CG 4.02Å; L221-P244 CarbonylContact O-C 3.58Å; L221-P244 VanDerWaalsContact O-CA 3.29Å; L221-P244 WeakPolarHBondContact O-CA 3.48Å; L221-P244 WeakPolarHBondContact O-CB 2.98Å; N222-P244 VanDerWaalsContact OD1-CA 3.25Å; N222-P244 WeakPolarHBondContact OD1-CA 3.37Å; S242-P244 WeakPolarHBondContact O-CD 3.34Å; P244-F267 HydrophobicContact CB-CE2 4Å; P244-F267 HydrophobicContact CG-CE2 3.87Å; P244-F267 HydrophobicContact CG-CZ 4.44Å; P244-F267 WeakPolarHBondContact O-CZ 2.99Å; P244-N271 PolarHBondContact O-ND2 3.12Å; P244-I275 HydrophobicContact CG-CD1 4.07Å | ||
| 245 | V | 76.8 | Confident | 73.1 | Confident | 35 Ų | 35 | 36.6 Ų | 36.6 | 21% | 0.212 | 21% | 0.21 | C | C | . | . | trans | -92 | -5.1 | 178.3 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | L221 M223 I229 L296 | L221-V245 HydrophobicContact CB-CG2 4.27Å; L221-V245 WeakPolarHBondContact O-CG2 3.46Å; L221-V245 PolarHBondContact O-N 2.97Å; M223-V245 HydrophobicContact CB-CG1 3.92Å; M223-V245 HydrophobicContact CB-CG2 4.2Å; I229-V245 HydrophobicContact CD1-CG2 4.04Å; V245-L296 PolarHBondContact O-N 2.84Å | ||
| 246 | G | 83.4 | Confident | 72.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -169.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y220 L221 F267 L296 | Y220-G246 WeakPolarHBondContact CA-O 3.4Å; L221-G246 PolarHBondContact N-O 3.25Å; L221-G246 PolarHBondContact O-N 2.97Å; G246-F267 WeakPolarHBondContact O-CE2 3.3Å; G246-L296 CarbonylContact C-O 3.58Å; G246-L296 WeakPolarHBondContact CA-O 3.43Å |
| 247 | I | 88.8 | Confident | 72.8 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.8 | 174.6 | 57.1 | 169.2 | 0 | 0 | 0 | 111.9 | G219 Y220 L221 A263 F267 M295 L296 L297 A298 | G219-I247 CarbonylContact O-C 3.59Å; G219-I247 WeakPolarHBondContact O-CA 3.28Å; G219-I247 WeakPolarHBondContact O-CB 3.45Å; Y220-I247 HydrophobicContact CD1-CG2 4.3Å; L221-I247 VanDerWaalsContact CD1-O 3.28Å; L221-I247 WeakPolarHBondContact CD1-O 3.23Å; I247-A263 HydrophobicContact CD1-CB 3.56Å; I247-F267 HydrophobicContact CG2-CB 3.9Å; I247-F267 HydrophobicContact CG2-CD2 3.51Å; I247-F267 HydrophobicContact CG2-CE2 4.33Å; I247-F267 HydrophobicContact CG2-CG 4.03Å; I247-M295 HydrophobicContact CD1-CE 3.94Å; I247-M295 HydrophobicContact CD1-SD 4.42Å; I247-M295 HydrophobicContact CG1-CE 3.72Å; I247-M295 HydrophobicContact CG1-SD 4.02Å; I247-M295 HydrophobicContact CG2-SD 4.47Å; I247-L296 PolarHBondContact N-O 3.31Å; I247-L297 HydrophobicContact CD1-CD1 4Å; I247-L297 HydrophobicContact CG1-CD1 3.81Å; I247-L297 WeakPolarHBondContact O-CA 3.5Å; I247-A298 PolarHBondContact O-N 2.84Å |
| 248 | W | 90.1 | Very high | 73.1 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.2 | 165.8 | 65.6 | -90.2 | 0 | 0 | 0 | 110.1 | L189 L193 R217 F218 G219 L221 L231 H232 L233 A298 Y300 | L189-W248 HydrophobicContact CD1-CH2 4.43Å; L189-W248 HydrophobicContact CD1-CZ2 4.42Å; L189-W248 HydrophobicContact CD2-CZ2 3.97Å; L193-W248 HydrophobicContact CD1-CD2 4.23Å; L193-W248 HydrophobicContact CD1-CE3 3.77Å; L193-W248 HydrophobicContact CD1-CH2 4.35Å; L193-W248 HydrophobicContact CD1-CZ3 3.85Å; L193-W248 HydrophobicContact CD2-CZ3 4.14Å; R217-W248 HydrophobicContact CB-CH2 4.1Å; R217-W248 HydrophobicContact CB-CZ3 4.19Å; F218-W248 CarbonylContact C-O 3.54Å; F218-W248 WeakPolarHBondContact CA-O 3.49Å; F218-W248 VanDerWaalsContact CB-O 3.24Å; F218-W248 WeakPolarHBondContact CB-O 2.94Å; G219-W248 VanDerWaalsContact C-CD1 3.45Å; G219-W248 PolarHBondContact N-O 3.07Å; G219-W248 PolarHBondContact O-N 3.1Å; L221-W248 HydrophobicContact CD2-CB 4.02Å; L221-W248 HydrophobicContact CD2-CG 4.4Å; L231-W248 HydrophobicContact CD2-CB 4.17Å; L231-W248 HydrophobicContact CD2-CD2 4.18Å; L231-W248 HydrophobicContact CD2-CG 3.83Å; L231-W248 HydrophobicContact CG-CB 4.36Å; L231-W248 HydrophobicContact CG-CG 3.97Å; H232-W248 PolarHBondContact O-NE1 3.37Å; L233-W248 HydrophobicContact CD2-CH2 4.37Å; L233-W248 HydrophobicContact CD2-CZ2 4.01Å; W248-A298 CarbonylContact C-O 3.47Å; W248-A298 VanDerWaalsContact CA-O 3.27Å; W248-A298 WeakPolarHBondContact CA-O 3.45Å; W248-A298 HydrophobicContact CB-CB 3.91Å; W248-Y300 HydrophobicContact CB-CE2 4.36Å |
| 249 | I | 88 | Confident | 73.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.8 | 178 | -170.3 | 167 | 0 | 0 | 0 | 110 | L123 V216 F218 V252 R259 I260 L297 A298 V299 Y300 | L123-I249 HydrophobicContact CD1-CD1 4.12Å; V216-I249 HydrophobicContact CG1-CD1 3.76Å; V216-I249 HydrophobicContact CG1-CG1 3.72Å; F218-I249 HydrophobicContact CB-CB 4.21Å; F218-I249 HydrophobicContact CB-CG1 4.14Å; I249-V252 HydrophobicContact CD1-CG1 3.97Å; I249-V252 HydrophobicContact CG1-CG1 4.14Å; I249-V252 HydrophobicContact CG2-CG2 4.47Å; I249-R259 HydrophobicContact CD1-CB 4.37Å; I249-I260 HydrophobicContact CD1-CG1 4.05Å; I249-I260 HydrophobicContact CG2-CG1 4.1Å; I249-L297 HydrophobicContact CG2-CD1 4.1Å; I249-A298 PolarHBondContact N-O 3.06Å; I249-V299 HydrophobicContact CG2-CG1 4.47Å; I249-V299 HydrophobicContact CG2-CG2 4.28Å; I249-Y300 PolarHBondContact O-N 2.8Å |
| 250 | S | 84.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.6 | -178 | 65 | 0 | 0 | 0 | 0 | 111.9 | V216 R217 Y300 | V216-S250 VanDerWaalsContact CA-O 3.3Å; V216-S250 WeakPolarHBondContact CA-O 3.37Å; R217-S250 PolarHBondContact N-O 2.86Å; R217-S250 PolarHBondContact O-N 2.94Å; R217-S250 PolarHBondContact O-OG 3.43Å; S250-Y300 WeakPolarHBondContact CA-O 3.33Å |
| 251 | G | 73.1 | Confident | 75 | Confident | 11 Ų | 11 | 26.2 Ų | 26.2 | 11% | 0.113 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.4 | 11.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V216 Y300 C302 | V216-G251 WeakPolarHBondContact CG2-O 3.13Å; G251-Y300 PolarHBondContact N-O 2.83Å; G251-C302 VanDerWaalsContact CA-SG 3.57Å; G251-C302 PolarHBondContact O-SG 3.26Å |
| 252 | V | 74.8 | Confident | 75.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 147.2 | 172.2 | -67.4 | 0 | 0 | 0 | 0 | 110.2 | V216 I249 D257 I260 V299 Q301 C302 | V216-V252 HydrophobicContact CG1-CG1 4.01Å; V216-V252 HydrophobicContact CG2-CG1 4.1Å; I249-V252 HydrophobicContact CD1-CG1 3.97Å; I249-V252 HydrophobicContact CG1-CG1 4.14Å; I249-V252 HydrophobicContact CG2-CG2 4.47Å; V252-D257 HydrophobicContact CB-CB 4.17Å; V252-D257 HydrophobicContact CG1-CB 4.1Å; V252-I260 HydrophobicContact CG1-CG1 4.34Å; V252-I260 HydrophobicContact CG2-CD1 4.19Å; V252-V299 HydrophobicContact CG2-CG1 3.59Å; V252-Q301 VanDerWaalsContact O-CA 3.24Å; V252-Q301 WeakPolarHBondContact O-CA 3.3Å; V252-C302 PolarHBondContact O-N 3.33Å |
| 253 | K | 68.7 | Low | 76.5 | Confident | 111 Ų | 111 | 20.5 Ų | 20.5 | 48% | 0.483 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -82.5 | -40.7 | 179.9 | -165.8 | 175 | -176.2 | 169.8 | 0 | 112.4 | Q301 | K253-Q301 PolarHBondContact O-NE2 2.95Š|
| 254 | E | 68.7 | Low | 77 | Confident | 77 Ų | 77 | 17.6 Ų | 17.6 | 36% | 0.36 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -135.6 | 150 | -170.2 | -68.3 | 169.1 | 173.8 | 0 | 0 | 110.1 | V63 C256 D257 I260 | V63-E254 WeakPolarHBondContact CG2-OE2 3.31Å; V63-E254 PolarHBondContact N-OE2 2.95Å; E254-C256 PolarHBondContact O-N 2.92Å; E254-D257 WeakPolarHBondContact O-CB 3.35Å; E254-D257 PolarHBondContact O-N 3.5Å; E254-I260 WeakPolarHBondContact O-CD1 3.3Å |
| 255 | A | 66.6 | Low | 77.1 | Confident | 14 Ų | 14 | 17.3 Ų | 17.3 | 12% | 0.116 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -5.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L176 I260 Y310 | L176-A255 VanDerWaalsContact CD1-O 3.3Å; L176-A255 WeakPolarHBondContact CD1-O 3.09Å; A255-I260 VanDerWaalsContact C-CD1 3.46Å; A255-I260 VanDerWaalsContact O-CD1 3.28Å; A255-I260 WeakPolarHBondContact O-CD1 3.32Å; A255-Y310 HydrophobicContact CB-CE2 3.94Å; A255-Y310 WeakPolarHBondContact CB-OH 3.44Å |
| 256 | C | 64.4 | Low | 76.9 | Confident | 28 Ų | 28 | 16.8 Ų | 16.8 | 19% | 0.189 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 11.5 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | F17 V63 E254 F258 | F17-C256 HydrophobicContact CD2-CB 4.16Å; V63-C256 HydrophobicContact CB-CB 4.42Å; V63-C256 HydrophobicContact CG1-CB 3.75Å; V63-C256 HydrophobicContact CG2-CB 4.26Å; E254-C256 PolarHBondContact O-N 2.92Å; C256-F258 PolarHBondContact O-N 3.34Å |
| 257 | D | 71 | Confident | 76.5 | Confident | 22 Ų | 22 | 17.5 Ų | 17.5 | 12% | 0.118 | 9% | 0.086 | C | C | . | . | trans | -57.7 | 131.3 | 176.5 | -172.3 | -47.8 | 0 | 0 | 0 | 111.1 | V252 E254 R259 I260 W261 | V252-D257 HydrophobicContact CB-CB 4.17Å; V252-D257 HydrophobicContact CG1-CB 4.1Å; E254-D257 WeakPolarHBondContact O-CB 3.35Å; E254-D257 PolarHBondContact O-N 3.5Å; D257-R259 PolarHBondContact O-N 3.25Å; D257-R259 WeakPolarHBondContact OD1-CB 3.15Å; D257-R259 WeakPolarHBondContact OD1-CG 3.5Å; D257-R259 IonicContact OD1-CZ 3.92Å; D257-R259 PolarHBondContact OD1-N 3.2Å; D257-R259 IonicContact OD1-NE 3.61Å; D257-R259 PolarHBondContact OD1-NE 2.92Å; D257-R259 IonicContact OD1-NH2 2.8Å; D257-R259 IonicContact OD2-CZ 2.8Å; D257-R259 IonicContact OD2-NE 2.68Å; D257-R259 PolarHBondContact OD2-NE 3.11Å; D257-R259 IonicContact OD2-NH2 3.19Å; D257-R259 PolarHBondContact OD2-NH2 3.02Å; D257-I260 HydrophobicContact CB-CD1 3.94Å; D257-I260 HydrophobicContact CB-CG1 4.13Å; D257-I260 WeakPolarHBondContact O-CA 3.15Å; D257-I260 VanDerWaalsContact O-CB 3.23Å; D257-I260 WeakPolarHBondContact O-CB 3.45Å; D257-I260 PolarHBondContact O-N 3.5Å; D257-W261 PolarHBondContact O-N 3Å | ||
| 258 | F | 72.5 | Confident | 75.6 | Confident | 7 Ų | 7 | 18.6 Ų | 18.6 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.1 | -20.3 | -177.5 | -67.4 | -71.4 | 0 | 0 | 0 | 113.6 | L19 F60 I125 C256 I260 W261 K262 | L19-F258 HydrophobicContact CD2-CD1 3.65Å; L19-F258 HydrophobicContact CD2-CE1 3.77Å; L19-F258 HydrophobicContact CD2-CG 4.22Å; L19-F258 HydrophobicContact CD2-CZ 4.41Å; L19-F258 HydrophobicContact CG-CD1 3.83Å; L19-F258 HydrophobicContact CG-CE1 4.08Å; F60-F258 AromaticContact CD1-CD2 3.78Å; F60-F258 HydrophobicContact CD1-CD2 3.78Å; F60-F258 HydrophobicContact CE1-CB 3.94Å; F60-F258 AromaticContact CE1-CD2 3.77Å; F60-F258 HydrophobicContact CE1-CD2 3.77Å; F60-F258 HydrophobicContact CE1-CG 4.25Å; I125-F258 HydrophobicContact CG2-CB 4.44Å; C256-F258 PolarHBondContact O-N 3.34Å; F258-I260 VanDerWaalsContact C-N 3.28Å; F258-I260 PolarHBondContact O-N 2.95Å; F258-W261 PolarHBondContact O-N 2.91Å; F258-K262 WeakPolarHBondContact O-CB 3.33Å; F258-K262 PolarHBondContact O-N 3.32Å |
| 259 | R | 76.3 | Confident | 74.4 | Confident | 47 Ų | 47 | 20.1 Ų | 20.1 | 18% | 0.177 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.8 | -30.6 | 171.6 | -63.1 | 173.3 | -76 | -170.9 | 2.4 | 111.7 | L123 S214 V216 I249 D257 A263 | L123-R259 HydrophobicContact CB-CB 4.43Å; L123-R259 HydrophobicContact CD1-CB 4.4Å; S214-R259 PolarHBondContact OG-NH1 3.22Å; V216-R259 VanDerWaalsContact CG2-NH1 3.28Å; I249-R259 HydrophobicContact CD1-CB 4.37Å; D257-R259 PolarHBondContact O-N 3.25Å; D257-R259 WeakPolarHBondContact OD1-CB 3.15Å; D257-R259 WeakPolarHBondContact OD1-CG 3.5Å; D257-R259 IonicContact OD1-CZ 3.92Å; D257-R259 PolarHBondContact OD1-N 3.2Å; D257-R259 IonicContact OD1-NE 3.61Å; D257-R259 PolarHBondContact OD1-NE 2.92Å; D257-R259 IonicContact OD1-NH2 2.8Å; D257-R259 IonicContact OD2-CZ 2.8Å; D257-R259 IonicContact OD2-NE 2.68Å; D257-R259 PolarHBondContact OD2-NE 3.11Å; D257-R259 IonicContact OD2-NH2 3.19Å; D257-R259 PolarHBondContact OD2-NH2 3.02Å; R259-A263 WeakPolarHBondContact O-CB 3.5Å; R259-A263 PolarHBondContact O-N 2.87Å |
| 260 | I | 79 | Confident | 73.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.7 | -49 | 172.5 | -56.3 | 168.9 | 0 | 0 | 0 | 110.1 | F17 I249 V252 E254 A255 D257 F258 K262 A263 C264 L297 V299 | F17-I260 HydrophobicContact CZ-CB 4.22Å; F17-I260 HydrophobicContact CZ-CG2 4.09Å; I249-I260 HydrophobicContact CD1-CG1 4.05Å; I249-I260 HydrophobicContact CG2-CG1 4.1Å; V252-I260 HydrophobicContact CG1-CG1 4.34Å; V252-I260 HydrophobicContact CG2-CD1 4.19Å; E254-I260 WeakPolarHBondContact O-CD1 3.3Å; A255-I260 VanDerWaalsContact C-CD1 3.46Å; A255-I260 VanDerWaalsContact O-CD1 3.28Å; A255-I260 WeakPolarHBondContact O-CD1 3.32Å; D257-I260 HydrophobicContact CB-CD1 3.94Å; D257-I260 HydrophobicContact CB-CG1 4.13Å; D257-I260 WeakPolarHBondContact O-CA 3.15Å; D257-I260 VanDerWaalsContact O-CB 3.23Å; D257-I260 WeakPolarHBondContact O-CB 3.45Å; D257-I260 PolarHBondContact O-N 3.5Å; F258-I260 VanDerWaalsContact C-N 3.28Å; F258-I260 PolarHBondContact O-N 2.95Å; I260-K262 VanDerWaalsContact C-N 3.26Å; I260-K262 PolarHBondContact O-N 2.75Å; I260-A263 PolarHBondContact O-N 3.4Å; I260-A263 VanDerWaalsContact O-N 3.17Å; I260-C264 PolarHBondContact O-N 2.81Å; I260-C264 PolarHBondContact O-SG 3.16Å; I260-L297 HydrophobicContact CG2-CD1 4.18Å; I260-L297 HydrophobicContact CG2-CD2 3.53Å; I260-V299 HydrophobicContact CD1-CG1 4.43Å |
| 261 | W | 78.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | 175.5 | 168.4 | 97 | 0 | 0 | 0 | 111.6 | F17 L19 C128 L170 D171 Y172 D257 F258 L265 | F17-W261 HydrophobicContact CD2-CB 4.41Å; F17-W261 HydrophobicContact CE2-CB 3.69Å; F17-W261 HydrophobicContact CZ-CB 3.91Å; L19-W261 HydrophobicContact CD1-CD2 4.48Å; L19-W261 HydrophobicContact CD1-CE3 4.03Å; L19-W261 HydrophobicContact CD1-CH2 3.57Å; L19-W261 HydrophobicContact CD1-CZ2 3.98Å; L19-W261 HydrophobicContact CD1-CZ3 3.57Å; L19-W261 HydrophobicContact CG-CE3 4.45Å; L19-W261 HydrophobicContact CG-CZ3 4.44Å; C128-W261 HydrophobicContact CB-CH2 4.03Å; C128-W261 HydrophobicContact CB-CZ3 4.2Å; L170-W261 WeakPolarHBondContact O-CH2 3.12Å; D171-W261 PolarHBondContact OD1-NE1 3.39Å; Y172-W261 AromaticContact CD1-CE2 3.58Å; Y172-W261 AromaticContact CD1-CZ2 3.6Å; Y172-W261 HydrophobicContact CD1-CZ2 3.6Å; Y172-W261 AromaticContact CD1-NE1 3.36Å; Y172-W261 AromaticContact CE1-CD1 3.65Å; Y172-W261 AromaticContact CE1-CD2 3.96Å; Y172-W261 HydrophobicContact CE1-CD2 3.96Å; Y172-W261 AromaticContact CE1-CE2 3.33Å; Y172-W261 HydrophobicContact CE1-CG 4.11Å; Y172-W261 AromaticContact CE1-CZ2 3.67Å; Y172-W261 HydrophobicContact CE1-CZ2 3.67Å; Y172-W261 AromaticContact CE1-NE1 3.18Å; Y172-W261 PolarHBondContact O-NE1 3.22Å; Y172-W261 PolarHBondContact OH-O 2.81Å; D257-W261 PolarHBondContact O-N 3Å; F258-W261 PolarHBondContact O-N 2.91Å; W261-L265 HydrophobicContact CH2-CD2 3.91Å; W261-L265 HydrophobicContact CZ2-CD2 4.1Å; W261-L265 PolarHBondContact O-N 3.45Å; W261-L265 VanDerWaalsContact O-N 3.17Å |
| 262 | K | 78.8 | Confident | 70.3 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.4 | -43.2 | 175.7 | -180 | 57 | 169.8 | -177.8 | 0 | 112.3 | D124 C128 F258 I260 L265 H266 | D124-K262 WeakPolarHBondContact O-CE 3.13Å; C128-K262 PolarHBondContact SG-NZ 3.25Å; F258-K262 WeakPolarHBondContact O-CB 3.33Å; F258-K262 PolarHBondContact O-N 3.32Å; I260-K262 VanDerWaalsContact C-N 3.26Å; I260-K262 PolarHBondContact O-N 2.75Å; K262-L265 PolarHBondContact O-N 2.95Å; K262-H266 WeakPolarHBondContact O-CB 3.49Å; K262-H266 PolarHBondContact O-N 2.98Å |
| 263 | A | 79.5 | Confident | 68.7 | Low | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L123 F218 I247 R259 I260 L265 H266 F267 | L123-A263 HydrophobicContact CD2-CB 3.68Å; F218-A263 HydrophobicContact CD2-CB 4.36Å; I247-A263 HydrophobicContact CD1-CB 3.56Å; R259-A263 WeakPolarHBondContact O-CB 3.5Å; R259-A263 PolarHBondContact O-N 2.87Å; I260-A263 PolarHBondContact O-N 3.4Å; I260-A263 VanDerWaalsContact O-N 3.17Å; A263-L265 PolarHBondContact O-N 2.89Å; A263-H266 PolarHBondContact O-N 3.19Å; A263-F267 PolarHBondContact O-N 2.98Å |
| 264 | C | 79 | Confident | 67.4 | Low | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 176 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | Y172 V174 I260 H266 F267 I268 M295 | Y172-C264 WeakPolarHBondContact OH-CB 3.42Å; V174-C264 HydrophobicContact CG2-CB 4.37Å; I260-C264 PolarHBondContact O-N 2.81Å; I260-C264 PolarHBondContact O-SG 3.16Å; C264-H266 VanDerWaalsContact C-N 3.31Å; C264-H266 PolarHBondContact O-N 3.36Å; C264-F267 PolarHBondContact O-N 3.23Å; C264-I268 WeakPolarHBondContact O-CD1 3.34Å; C264-I268 VanDerWaalsContact O-CG1 3.26Å; C264-I268 WeakPolarHBondContact O-CG1 3.22Å; C264-I268 PolarHBondContact O-N 3.03Å; C264-I268 VanDerWaalsContact O-N 3.1Å; C264-M295 HydrophobicContact CB-CE 4.04Å; C264-M295 VanDerWaalsContact SG-CE 3.56Å |
| 265 | L | 75.6 | Confident | 65.8 | Low | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.7 | -39.7 | 178.7 | -171.5 | 49.8 | 0 | 0 | 0 | 111.7 | Y116 Y172 W261 K262 A263 I268 L269 L341 | Y116-L265 HydrophobicContact CE1-CD2 3.89Å; Y116-L265 HydrophobicContact CE1-CG 4.19Å; Y116-L265 WeakPolarHBondContact OH-CD2 3.45Å; Y172-L265 HydrophobicContact CD1-CB 4.38Å; Y172-L265 HydrophobicContact CD1-CD1 3.92Å; Y172-L265 HydrophobicContact CD1-CD2 3.85Å; Y172-L265 HydrophobicContact CD1-CG 4.27Å; Y172-L265 HydrophobicContact CD2-CD1 4.42Å; Y172-L265 HydrophobicContact CE1-CB 3.53Å; Y172-L265 HydrophobicContact CE1-CD1 3.86Å; Y172-L265 HydrophobicContact CE1-CD2 3.72Å; Y172-L265 HydrophobicContact CE1-CG 3.89Å; Y172-L265 HydrophobicContact CE2-CD1 4.32Å; Y172-L265 HydrophobicContact CG-CD1 4.24Å; Y172-L265 WeakPolarHBondContact OH-CA 3.28Å; Y172-L265 PolarHBondContact OH-N 2.82Å; W261-L265 HydrophobicContact CH2-CD2 3.91Å; W261-L265 HydrophobicContact CZ2-CD2 4.1Å; W261-L265 PolarHBondContact O-N 3.45Å; W261-L265 VanDerWaalsContact O-N 3.17Å; K262-L265 PolarHBondContact O-N 2.95Å; A263-L265 PolarHBondContact O-N 2.89Å; L265-I268 PolarHBondContact O-N 3.05Å; L265-L269 HydrophobicContact CD1-CD1 4.11Å; L265-L269 HydrophobicContact CD1-CG 4.33Å; L265-L269 HydrophobicContact CG-CD1 4.02Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.41Å; L265-L269 PolarHBondContact O-N 2.82Å; L265-L341 HydrophobicContact CD1-CD2 4.03Å |
| 266 | H | 74.2 | Confident | 64.2 | Low | 23 Ų | 23 | 26 Ų | 26 | 11% | 0.106 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 179.1 | -165.7 | 58.5 | 0 | 0 | 0 | 112.2 | L121 K262 A263 C264 L269 I270 | L121-H266 WeakPolarHBondContact CA-NE2 3.11Å; L121-H266 WeakPolarHBondContact CB-NE2 3.21Å; L121-H266 WeakPolarHBondContact CD1-NE2 3.47Å; L121-H266 VanDerWaalsContact CG-NE2 3.31Å; L121-H266 WeakPolarHBondContact CG-NE2 3.5Å; K262-H266 WeakPolarHBondContact O-CB 3.49Å; K262-H266 PolarHBondContact O-N 2.98Å; A263-H266 PolarHBondContact O-N 3.19Å; C264-H266 VanDerWaalsContact C-N 3.31Å; C264-H266 PolarHBondContact O-N 3.36Å; H266-L269 PolarHBondContact O-N 3.05Å; H266-I270 VanDerWaalsContact CE1-CD1 3.43Å; H266-I270 WeakPolarHBondContact CE1-CD1 3.35Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.15Å; H266-I270 WeakPolarHBondContact O-CB 3.36Å; H266-I270 PolarHBondContact O-N 3.34Å |
| 267 | F | 74.6 | Confident | 62.6 | Low | 15 Ų | 15 | 33.4 Ų | 33.4 | 7% | 0.066 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -50.7 | 172.2 | 178.4 | -87.7 | 0 | 0 | 0 | 111.5 | Y220 P244 G246 I247 A263 C264 L269 I270 N271 M295 | Y220-F267 AromaticContact CD1-CD2 3.87Å; Y220-F267 HydrophobicContact CD1-CD2 3.87Å; Y220-F267 HydrophobicContact CD1-CE2 4.13Å; Y220-F267 AromaticContact CE1-CD2 3.84Å; Y220-F267 HydrophobicContact CE1-CD2 3.84Å; Y220-F267 HydrophobicContact CE1-CE2 4.46Å; P244-F267 HydrophobicContact CB-CE2 4Å; P244-F267 HydrophobicContact CG-CE2 3.87Å; P244-F267 HydrophobicContact CG-CZ 4.44Å; P244-F267 WeakPolarHBondContact O-CZ 2.99Å; G246-F267 WeakPolarHBondContact O-CE2 3.3Å; I247-F267 HydrophobicContact CG2-CB 3.9Å; I247-F267 HydrophobicContact CG2-CD2 3.51Å; I247-F267 HydrophobicContact CG2-CE2 4.33Å; I247-F267 HydrophobicContact CG2-CG 4.03Å; A263-F267 PolarHBondContact O-N 2.98Å; C264-F267 PolarHBondContact O-N 3.23Å; F267-L269 VanDerWaalsContact C-N 3.25Å; F267-L269 PolarHBondContact O-N 3.29Å; F267-I270 PolarHBondContact O-N 2.95Å; F267-N271 WeakPolarHBondContact CE1-ND2 3.31Å; F267-N271 WeakPolarHBondContact CZ-ND2 3.26Å; F267-N271 WeakPolarHBondContact O-CB 3.42Å; F267-N271 PolarHBondContact O-N 3.48Å; F267-M295 HydrophobicContact CB-SD 3.78Å; F267-M295 HydrophobicContact CD1-CB 4.46Å; F267-M295 HydrophobicContact CD1-CG 3.77Å; F267-M295 HydrophobicContact CD1-SD 3.22Å; F267-M295 WeakPolarHBondContact CD1-SD 3.26Å; F267-M295 HydrophobicContact CD2-SD 4.06Å; F267-M295 HydrophobicContact CE1-CB 4.11Å; F267-M295 HydrophobicContact CE1-CG 3.53Å; F267-M295 HydrophobicContact CE1-SD 3.68Å; F267-M295 HydrophobicContact CE2-CG 4.47Å; F267-M295 HydrophobicContact CE2-SD 4.42Å; F267-M295 HydrophobicContact CG-CG 4.34Å; F267-M295 HydrophobicContact CG-SD 3.42Å; F267-M295 WeakPolarHBondContact CG-SD 3.42Å; F267-M295 HydrophobicContact CZ-CG 3.9Å; F267-M295 HydrophobicContact CZ-SD 4.24Å |
| 268 | I | 69.7 | Low | 60.7 | Low | 25 Ų | 25 | 36.9 Ų | 36.9 | 13% | 0.128 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.4 | -41 | -179.9 | -64.3 | 157.3 | 0 | 0 | 0 | 110.9 | Y172 C264 L265 I314 F335 L339 | Y172-I268 HydrophobicContact CE2-CD1 3.8Å; C264-I268 WeakPolarHBondContact O-CD1 3.34Å; C264-I268 VanDerWaalsContact O-CG1 3.26Å; C264-I268 WeakPolarHBondContact O-CG1 3.22Å; C264-I268 PolarHBondContact O-N 3.03Å; C264-I268 VanDerWaalsContact O-N 3.1Å; L265-I268 PolarHBondContact O-N 3.05Å; I268-I314 HydrophobicContact CD1-CD1 3.48Å; I268-I314 VanDerWaalsContact CD1-CD1 3.48Å; I268-I314 HydrophobicContact CD1-CG1 3.9Å; I268-I314 HydrophobicContact CG1-CD1 3.98Å; I268-I314 HydrophobicContact CG2-CD1 4.19Å; I268-F335 HydrophobicContact CG2-CZ 4.29Å; I268-F335 WeakPolarHBondContact O-CZ 3.34Å; I268-L339 HydrophobicContact CG2-CD1 4.18Å; I268-L339 HydrophobicContact CG2-CD2 3.59Å; I268-L339 HydrophobicContact CG2-CG 4.48Å |
| 269 | L | 64.2 | Low | 58.7 | Low | 34 Ų | 34 | 39 Ų | 39 | 18% | 0.178 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79.7 | -28.4 | -179.2 | -65.4 | 171.7 | 0 | 0 | 0 | 114.4 | Y116 L265 H266 F267 T273 L331 L339 | Y116-L269 HydrophobicContact CD1-CD1 3.57Å; Y116-L269 HydrophobicContact CE1-CD1 3.77Å; L265-L269 HydrophobicContact CD1-CD1 4.11Å; L265-L269 HydrophobicContact CD1-CG 4.33Å; L265-L269 HydrophobicContact CG-CD1 4.02Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.41Å; L265-L269 PolarHBondContact O-N 2.82Å; H266-L269 PolarHBondContact O-N 3.05Å; F267-L269 VanDerWaalsContact C-N 3.25Å; F267-L269 PolarHBondContact O-N 3.29Å; L269-T273 WeakPolarHBondContact O-CG2 3.48Å; L269-T273 PolarHBondContact O-OG1 2.71Å; L269-T273 VanDerWaalsContact O-OG1 3.08Å; L269-L331 HydrophobicContact CD2-CD2 3.44Å; L269-L331 VanDerWaalsContact CD2-CD2 3.44Å; L269-L339 HydrophobicContact CD2-CD2 4.36Å |
| 270 | I | 62.4 | Low | 56.4 | Low | 30 Ų | 30 | 46 Ų | 46 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -82.7 | -39.9 | 179 | -79.1 | -167.1 | 0 | 0 | 0 | 112.9 | H266 F267 E272 T273 Q274 | H266-I270 VanDerWaalsContact CE1-CD1 3.43Å; H266-I270 WeakPolarHBondContact CE1-CD1 3.35Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.15Å; H266-I270 WeakPolarHBondContact O-CB 3.36Å; H266-I270 PolarHBondContact O-N 3.34Å; F267-I270 PolarHBondContact O-N 2.95Å; I270-E272 VanDerWaalsContact C-N 3.27Å; I270-E272 PolarHBondContact O-N 3.14Å; I270-E272 VanDerWaalsContact O-N 3.14Å; I270-T273 PolarHBondContact O-N 3.27Å; I270-T273 PolarHBondContact O-OG1 3.34Å; I270-T273 VanDerWaalsContact O-OG1 3.11Å; I270-Q274 PolarHBondContact O-N 3.48Å |
| 271 | N | 52.4 | Low | 54.1 | Low | 40 Ų | 40 | 49.4 Ų | 49.4 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -39.2 | -164.7 | -150.8 | -5.2 | 0 | 0 | 0 | 112.2 | P244 F267 I275 | P244-N271 PolarHBondContact O-ND2 3.12Å; F267-N271 WeakPolarHBondContact CE1-ND2 3.31Å; F267-N271 WeakPolarHBondContact CZ-ND2 3.26Å; F267-N271 WeakPolarHBondContact O-CB 3.42Å; F267-N271 PolarHBondContact O-N 3.48Å; N271-I275 VanDerWaalsContact OD1-CD1 3.25Å; N271-I275 WeakPolarHBondContact OD1-CD1 3.47Å |
| 272 | E | 46.6 | Very low | 51.8 | Low | 47 Ų | 47 | 57.2 Ų | 57.2 | 22% | 0.22 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -88.8 | -5.4 | 176.7 | -61.3 | -153.9 | 173.9 | 0 | 0 | 115.8 | I270 N334 F335 | I270-E272 VanDerWaalsContact C-N 3.27Å; I270-E272 PolarHBondContact O-N 3.14Å; I270-E272 VanDerWaalsContact O-N 3.14Å; E272-N334 HydrophobicContact CB-CB 4.14Å; E272-N334 PolarHBondContact O-ND2 3.09Å; E272-N334 WeakPolarHBondContact OE2-CB 3.49Å; E272-F335 VanDerWaalsContact CD-CE1 3.48Å; E272-F335 HydrophobicContact CG-CD1 4.19Å; E272-F335 HydrophobicContact CG-CE1 3.8Å; E272-F335 HydrophobicContact CG-CZ 4.38Å; E272-F335 VanDerWaalsContact OE1-CD1 3.26Å; E272-F335 WeakPolarHBondContact OE1-CD1 3.49Å; E272-F335 WeakPolarHBondContact OE2-CD1 3.22Å; E272-F335 PolarHBondContact OE2-N 3.14Å |
| 273 | T | 41.3 | Very low | 49.4 | Very low | 60 Ų | 60 | 64.6 Ų | 64.6 | 37% | 0.368 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -98.8 | -27.6 | -176.1 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | L269 I270 R277 | L269-T273 WeakPolarHBondContact O-CG2 3.48Å; L269-T273 PolarHBondContact O-OG1 2.71Å; L269-T273 VanDerWaalsContact O-OG1 3.08Å; I270-T273 PolarHBondContact O-N 3.27Å; I270-T273 PolarHBondContact O-OG1 3.34Å; I270-T273 VanDerWaalsContact O-OG1 3.11Å; T273-R277 WeakPolarHBondContact O-CD 3.31Å |
| 274 | Q | 39.7 | Very low | 47 | Very low | 97 Ų | 97 | 67.8 Ų | 67.8 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -107 | -51.4 | 176.4 | -58.2 | -159.1 | 25.4 | 0 | 0 | 112.7 | I270 R277 | I270-Q274 PolarHBondContact O-N 3.48Å; Q274-R277 PolarHBondContact O-N 3.35Å; Q274-R277 VanDerWaalsContact O-N 3.16Å |
| 275 | I | 36.7 | Very low | 44.5 | Very low | 7 Ų | 7 | 70.8 Ų | 70.8 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.7 | -45.8 | -172.1 | -65.5 | 152.2 | 0 | 0 | 0 | 111.3 | P244 N271 R277 L278 V279 | P244-I275 HydrophobicContact CG-CD1 4.07Å; N271-I275 VanDerWaalsContact OD1-CD1 3.25Å; N271-I275 WeakPolarHBondContact OD1-CD1 3.47Å; I275-R277 PolarHBondContact O-N 3.11Å; I275-L278 PolarHBondContact O-N 3.39Å; I275-L278 VanDerWaalsContact O-N 3.14Å; I275-V279 PolarHBondContact O-N 3.15Å |
| 276 | N | 32.2 | Very low | 42.3 | Very low | 55 Ų | 55 | 81.7 Ų | 81.7 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.4 | -2.9 | 174.5 | -76.1 | -12.9 | 0 | 0 | 0 | 115 | ||
| 277 | R | 30.2 | Very low | 40.2 | Very low | 185 Ų | 185 | 86.5 Ų | 86.5 | 70% | 0.698 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -94.3 | -20.4 | 172.7 | -74.6 | -170.7 | 171.8 | -176 | -1.7 | 113.9 | T273 Q274 I275 | T273-R277 WeakPolarHBondContact O-CD 3.31Å; Q274-R277 PolarHBondContact O-N 3.35Å; Q274-R277 VanDerWaalsContact O-N 3.16Å; I275-R277 PolarHBondContact O-N 3.11Å |
| 278 | L | 30.7 | Very low | 38 | Very low | 95 Ų | 95 | 90.3 Ų | 90.3 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -90.7 | -42.8 | 173.4 | -77.8 | 159.2 | 0 | 0 | 0 | 111.1 | L240 I275 K280 I573 | L240-L278 WeakPolarHBondContact O-CD1 3.43Å; I275-L278 PolarHBondContact O-N 3.39Å; I275-L278 VanDerWaalsContact O-N 3.14Å; L278-K280 PolarHBondContact O-N 2.97Å; L278-I573 HydrophobicContact CD2-CD1 3.94Å |
| 279 | V | 31.3 | Very low | 36.1 | Very low | 52 Ų | 52 | 92 Ų | 92 | 32% | 0.315 | 46% | 0.464 | S | S | . | . | trans | -80.6 | 68.8 | 178.9 | -167.4 | 0 | 0 | 0 | 0 | 110.7 | I275 | I275-V279 PolarHBondContact O-N 3.15Š| ||
| 280 | K | 28 | Very low | 34.6 | Very low | 192 Ų | 192 | 93.5 Ų | 93.5 | 84% | 0.835 | 47% | 0.474 | S | S | * | . | trans | -101 | 27.2 | 174.8 | -134.4 | -175 | -174.9 | -169.2 | 0 | 113.2 | L278 | L278-K280 PolarHBondContact O-N 2.97Š| ||
| 281 | S | 30.6 | Very low | 33.3 | Very low | 72 Ų | 72 | 97.4 Ų | 97.4 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -111.8 | 145.2 | 171.9 | 54.9 | 0 | 0 | 0 | 0 | 110.2 | Y283 | S281-Y283 PolarHBondContact O-N 2.89Š|
| 282 | D | 29.9 | Very low | 33.1 | Very low | 164 Ų | 164 | 97.2 Ų | 97.2 | 88% | 0.877 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 22.5 | -161.2 | -55.4 | -77.5 | 0 | 0 | 0 | 116.2 | ||
| 283 | Y | 28.4 | Very low | 33.3 | Very low | 161 Ų | 161 | 98.4 Ų | 98.4 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -13.2 | -166.5 | -84.8 | -93.6 | 0 | 0 | 0 | 116.2 | S281 G285 E451 | S281-Y283 PolarHBondContact O-N 2.89Å; Y283-G285 PolarHBondContact O-N 3.36Å; Y283-E451 WeakPolarHBondContact CE1-O 3.41Å; Y283-E451 PolarHBondContact OH-O 3.37Å; Y283-E451 VanDerWaalsContact OH-O 3.1Å |
| 284 | L | 29.7 | Very low | 34.3 | Very low | 67 Ų | 67 | 95.9 Ų | 95.9 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | trans | -94.4 | 38.7 | -173.2 | -130.6 | 76.3 | 0 | 0 | 0 | 115.4 | Y286 N288 | L284-Y286 PolarHBondContact O-N 3.48Å; L284-N288 PolarHBondContact O-ND2 2.72Å | ||
| 285 | G | 26.7 | Very low | 36.2 | Very low | 65 Ų | 65 | 92 Ų | 92 | 67% | 0.67 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y283 | Y283-G285 PolarHBondContact O-N 3.36Š|
| 286 | Y | 28 | Very low | 38.5 | Very low | 230 Ų | 230 | 91.8 Ų | 91.8 | 90% | 0.902 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -4.5 | -171.7 | -90.2 | -79.5 | 0 | 0 | 0 | 116.8 | L284 | L284-Y286 PolarHBondContact O-N 3.48Š|
| 287 | M | 30.7 | Very low | 41.2 | Very low | 124 Ų | 124 | 89.1 Ų | 89.1 | 61% | 0.611 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -18 | 166.3 | -74.8 | -65.8 | -175.6 | 0 | 0 | 113 | M223 S289 | M223-M287 HydrophobicContact CE-CE 4.3Å; M287-S289 PolarHBondContact O-N 2.77Å |
| 288 | N | 28 | Very low | 44 | Very low | 95 Ų | 95 | 80.3 Ų | 80.3 | 51% | 0.508 | 42% | 0.421 | S | S | . | . | trans | -79.4 | 52.5 | 179 | -73.2 | -24.3 | 0 | 0 | 0 | 113.5 | L284 T290 | L284-N288 PolarHBondContact O-ND2 2.72Å; N288-T290 WeakPolarHBondContact O-CG2 3.24Å | ||
| 289 | S | 29.8 | Very low | 46.8 | Very low | 60 Ų | 60 | 75.8 Ų | 75.8 | 42% | 0.42 | 40% | 0.397 | S | S | . | . | trans | -116 | 89.9 | 159.9 | 73.6 | 0 | 0 | 0 | 0 | 109 | M287 K291 S293 | M287-S289 PolarHBondContact O-N 2.77Å; S289-K291 PolarHBondContact O-N 2.89Å; S289-K291 VanDerWaalsContact O-N 3.1Å; S289-S293 PolarHBondContact O-OG 2.74Å | ||
| 290 | T | 32.8 | Very low | 49.3 | Very low | 65 Ų | 65 | 73.6 Ų | 73.6 | 40% | 0.399 | 38% | 0.383 | S | S | . | . | 53.3 | 44.7 | 83 | 82 | 0 | 0 | 0 | 0 | 111.7 | N288 K336 D337 | N288-T290 WeakPolarHBondContact O-CG2 3.24Å; T290-K336 HydrophobicContact CG2-CB 3.66Å; T290-K336 HydrophobicContact CG2-CD 3.28Å; T290-K336 HydrophobicContact CG2-CG 4.14Å; T290-D337 VanDerWaalsContact O-OD2 3.08Å | |||
| 291 | K | 36.5 | Very low | 51.7 | Low | 113 Ų | 113 | 65.1 Ų | 65.1 | 49% | 0.491 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -155.5 | 166.2 | 168.4 | -60.3 | -166.7 | 178.5 | -175.4 | 0 | 105.2 | S289 S293 D337 P410 | S289-K291 PolarHBondContact O-N 2.89Å; S289-K291 VanDerWaalsContact O-N 3.1Å; K291-S293 PolarHBondContact O-N 3.44Å; K291-D337 PolarHBondContact N-OD2 3.13Å; K291-P410 HydrophobicContact CD-CG 3.93Å |
| 292 | N | 47.5 | Very low | 53.7 | Low | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.193 | 33% | 0.331 | C | S | . | . | trans | -71.6 | 67.1 | 170.7 | -64.5 | 9.6 | 0 | 0 | 0 | 110.5 | P294 I314 I409 | N292-P294 VanDerWaalsContact O-CD 3.23Å; N292-P294 WeakPolarHBondContact O-CD 3.48Å; N292-P294 VanDerWaalsContact O-N 3.12Å; N292-I314 PolarHBondContact ND2-O 3.21Å; N292-I409 HydrophobicContact CB-CD1 3.7Å; N292-I409 HydrophobicContact CB-CG1 4.02Å; N292-I409 HydrophobicContact CB-CG2 4.39Å; N292-I409 VanDerWaalsContact O-CG2 3.22Å; N292-I409 WeakPolarHBondContact O-CG2 3.3Å | ||
| 293 | S | 49.9 | Very low | 55.5 | Low | 71 Ų | 71 | 60.3 Ų | 60.3 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | trans | -54.1 | 113.2 | -178.6 | -69.9 | 0 | 0 | 0 | 0 | 109.9 | S289 K291 M295 | S289-S293 PolarHBondContact O-OG 2.74Å; K291-S293 PolarHBondContact O-N 3.44Å; S293-M295 PolarHBondContact O-N 3.4Å | ||
| 294 | P | 62.9 | Low | 57.4 | Low | 8 Ų | 8 | 54.4 Ų | 54.4 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -65 | 126.5 | -166.8 | -27.3 | 37.7 | 0 | 0 | 0 | 112.3 | N292 E311 T312 I409 L412 | N292-P294 VanDerWaalsContact O-CD 3.23Å; N292-P294 WeakPolarHBondContact O-CD 3.48Å; N292-P294 VanDerWaalsContact O-N 3.12Å; P294-E311 HydrophobicContact CB-CG 3.35Å; P294-E311 WeakPolarHBondContact CB-OE1 3.08Å; P294-E311 HydrophobicContact CG-CG 4.27Å; P294-E311 WeakPolarHBondContact CG-OE1 3.24Å; P294-T312 CarbonylContact C-O 3.59Å; P294-T312 WeakPolarHBondContact CA-O 3.38Å; P294-T312 WeakPolarHBondContact CB-O 3.39Å; P294-I409 HydrophobicContact CG-CG2 4.1Å; P294-L412 HydrophobicContact CB-CB 4.13Å; P294-L412 HydrophobicContact CG-CB 4.45Å; P294-L412 WeakPolarHBondContact O-CD2 3.38Å |
| 295 | M | 79.2 | Confident | 59.2 | Low | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.069 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 135.1 | -177.7 | 174.7 | -157.1 | 74 | 0 | 0 | 109.7 | I247 C264 F267 S293 L297 T312 | I247-M295 HydrophobicContact CD1-CE 3.94Å; I247-M295 HydrophobicContact CD1-SD 4.42Å; I247-M295 HydrophobicContact CG1-CE 3.72Å; I247-M295 HydrophobicContact CG1-SD 4.02Å; I247-M295 HydrophobicContact CG2-SD 4.47Å; C264-M295 HydrophobicContact CB-CE 4.04Å; C264-M295 VanDerWaalsContact SG-CE 3.56Å; F267-M295 HydrophobicContact CB-SD 3.78Å; F267-M295 HydrophobicContact CD1-CB 4.46Å; F267-M295 HydrophobicContact CD1-CG 3.77Å; F267-M295 HydrophobicContact CD1-SD 3.22Å; F267-M295 WeakPolarHBondContact CD1-SD 3.26Å; F267-M295 HydrophobicContact CD2-SD 4.06Å; F267-M295 HydrophobicContact CE1-CB 4.11Å; F267-M295 HydrophobicContact CE1-CG 3.53Å; F267-M295 HydrophobicContact CE1-SD 3.68Å; F267-M295 HydrophobicContact CE2-CG 4.47Å; F267-M295 HydrophobicContact CE2-SD 4.42Å; F267-M295 HydrophobicContact CG-CG 4.34Å; F267-M295 HydrophobicContact CG-SD 3.42Å; F267-M295 WeakPolarHBondContact CG-SD 3.42Å; F267-M295 HydrophobicContact CZ-CG 3.9Å; F267-M295 HydrophobicContact CZ-SD 4.24Å; S293-M295 PolarHBondContact O-N 3.4Å; M295-L297 HydrophobicContact CE-CB 4.47Å; M295-T312 WeakPolarHBondContact CB-OG1 3.19Å; M295-T312 HydrophobicContact CE-CG2 4.02Å; M295-T312 VanDerWaalsContact CE-OG1 3.25Å; M295-T312 WeakPolarHBondContact CE-OG1 2.95Å; M295-T312 PolarHBondContact N-O 3.42Å; M295-T312 WeakPolarHBondContact O-CB 3.27Å; M295-T312 PolarHBondContact O-N 3.44Å; M295-T312 PolarHBondContact O-OG1 3.03Å |
| 296 | L | 85 | Confident | 61.6 | Low | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132.6 | 174 | -176.2 | 61 | 0 | 0 | 0 | 111.2 | I179 P182 L221 I229 V245 G246 I247 F309 | I179-L296 HydrophobicContact CD1-CD1 3.62Å; P182-L296 HydrophobicContact CG-CD2 4.44Å; L221-L296 HydrophobicContact CD1-CB 4.15Å; L221-L296 HydrophobicContact CD1-CD2 3.74Å; L221-L296 HydrophobicContact CD1-CG 3.66Å; I229-L296 HydrophobicContact CD1-CD2 3.97Å; I229-L296 HydrophobicContact CG1-CD2 3.98Å; I229-L296 HydrophobicContact CG2-CD2 4.34Å; V245-L296 PolarHBondContact O-N 2.84Å; G246-L296 CarbonylContact C-O 3.58Å; G246-L296 WeakPolarHBondContact CA-O 3.43Å; I247-L296 PolarHBondContact N-O 3.31Å; L296-F309 HydrophobicContact CD1-CD1 4.17Å |
| 297 | L | 88.9 | Confident | 64.4 | Low | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.8 | 172.6 | 169.5 | 68 | 0 | 0 | 0 | 109.9 | L176 I247 I249 I260 M295 V299 F309 Y310 T312 | L176-L297 HydrophobicContact CD2-CD2 3.77Å; I247-L297 HydrophobicContact CD1-CD1 4Å; I247-L297 HydrophobicContact CG1-CD1 3.81Å; I247-L297 WeakPolarHBondContact O-CA 3.5Å; I249-L297 HydrophobicContact CG2-CD1 4.1Å; I260-L297 HydrophobicContact CG2-CD1 4.18Å; I260-L297 HydrophobicContact CG2-CD2 3.53Å; M295-L297 HydrophobicContact CE-CB 4.47Å; L297-V299 HydrophobicContact CD1-CG2 4.12Å; L297-V299 HydrophobicContact CD2-CG2 3.8Å; L297-V299 HydrophobicContact CG-CG2 3.74Å; L297-F309 WeakPolarHBondContact O-CA 3.34Å; L297-Y310 HydrophobicContact CD2-CD2 4.26Å; L297-Y310 PolarHBondContact N-O 2.86Å; L297-Y310 PolarHBondContact O-N 3.12Å; L297-T312 HydrophobicContact CB-CG2 3.46Å; L297-T312 VanDerWaalsContact CB-CG2 3.46Å; L297-T312 HydrophobicContact CD2-CG2 4.04Å; L297-T312 HydrophobicContact CG-CG2 4.39Å |
| 298 | A | 89.4 | Confident | 67 | Low | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L221 I247 W248 I249 Y300 F309 | L221-A298 HydrophobicContact CD1-CB 4.11Å; I247-A298 PolarHBondContact O-N 2.84Å; W248-A298 CarbonylContact C-O 3.47Å; W248-A298 VanDerWaalsContact CA-O 3.27Å; W248-A298 WeakPolarHBondContact CA-O 3.45Å; W248-A298 HydrophobicContact CB-CB 3.91Å; I249-A298 PolarHBondContact N-O 3.06Å; A298-Y300 HydrophobicContact CB-CE2 4.23Å; A298-F309 HydrophobicContact CB-CD1 3.89Å; A298-F309 HydrophobicContact CB-CE1 3.51Å; A298-F309 HydrophobicContact CB-CZ 4.14Å |
| 299 | V | 88.8 | Confident | 69.9 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 112.9 | -177.5 | -173.4 | 0 | 0 | 0 | 0 | 110 | I249 V252 I260 L297 Q301 P307 R308 Y310 | I249-V299 HydrophobicContact CG2-CG1 4.47Å; I249-V299 HydrophobicContact CG2-CG2 4.28Å; V252-V299 HydrophobicContact CG2-CG1 3.59Å; I260-V299 HydrophobicContact CD1-CG1 4.43Å; L297-V299 HydrophobicContact CD1-CG2 4.12Å; L297-V299 HydrophobicContact CD2-CG2 3.8Å; L297-V299 HydrophobicContact CG-CG2 3.74Å; V299-Q301 HydrophobicContact CG1-CG 4.08Å; V299-P307 WeakPolarHBondContact O-CA 3.43Å; V299-R308 PolarHBondContact N-O 3.37Å; V299-R308 PolarHBondContact O-N 3.22Å; V299-Y310 HydrophobicContact CB-CE2 4.35Å; V299-Y310 HydrophobicContact CG2-CD2 3.89Å; V299-Y310 HydrophobicContact CG2-CE2 3.9Å |
| 300 | Y | 85.5 | Confident | 72.6 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 102.8 | 172.1 | -66.1 | -97 | 0 | 0 | 0 | 108.8 | L193 E194 L231 W248 I249 S250 G251 A298 P307 | L193-Y300 HydrophobicContact CB-CD1 3.6Å; L193-Y300 HydrophobicContact CB-CD2 4.49Å; L193-Y300 HydrophobicContact CB-CE1 3.48Å; L193-Y300 VanDerWaalsContact CB-CE1 3.48Å; L193-Y300 HydrophobicContact CB-CE2 4.42Å; L193-Y300 HydrophobicContact CB-CG 4.11Å; L193-Y300 HydrophobicContact CD1-CD2 4.28Å; L193-Y300 HydrophobicContact CD1-CE2 4.03Å; L193-Y300 WeakPolarHBondContact O-CD1 3.21Å; E194-Y300 HydrophobicContact CG-CE1 3.87Å; L231-Y300 HydrophobicContact CD2-CE2 3.89Å; L231-Y300 WeakPolarHBondContact CD2-OH 3.38Å; W248-Y300 HydrophobicContact CB-CE2 4.36Å; I249-Y300 PolarHBondContact O-N 2.8Å; S250-Y300 WeakPolarHBondContact CA-O 3.33Å; G251-Y300 PolarHBondContact N-O 2.83Å; A298-Y300 HydrophobicContact CB-CE2 4.23Å; Y300-P307 HydrophobicContact CD1-CB 3.76Å; Y300-P307 HydrophobicContact CD1-CG 4.09Å; Y300-P307 HydrophobicContact CD2-CB 4.15Å; Y300-P307 HydrophobicContact CE1-CB 3.51Å; Y300-P307 HydrophobicContact CE1-CG 3.46Å; Y300-P307 VanDerWaalsContact CE1-CG 3.46Å; Y300-P307 HydrophobicContact CE2-CB 3.9Å; Y300-P307 HydrophobicContact CE2-CG 4.49Å; Y300-P307 HydrophobicContact CG-CB 4.08Å |
| 301 | Q | 78.6 | Confident | 75 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.065 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 152.7 | -175 | -62.6 | 175.8 | -94 | 0 | 0 | 112.7 | V252 K253 V299 D303 S304 | V252-Q301 VanDerWaalsContact O-CA 3.24Å; V252-Q301 WeakPolarHBondContact O-CA 3.3Å; K253-Q301 PolarHBondContact O-NE2 2.95Å; V299-Q301 HydrophobicContact CG1-CG 4.08Å; Q301-D303 WeakPolarHBondContact CB-OD1 3.46Å; Q301-D303 PolarHBondContact NE2-OD1 3.14Å; Q301-D303 PolarHBondContact O-N 2.84Å; Q301-S304 PolarHBondContact O-N 3.47Å |
| 302 | C | 70.9 | Confident | 76.9 | Confident | 27 Ų | 27 | 31.5 Ų | 31.5 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22 | 173.5 | -58.2 | 0 | 0 | 0 | 0 | 114.3 | C199 G251 V252 | C199-C302 WeakPolarHBondContact CB-O 3.25Å; G251-C302 VanDerWaalsContact CA-SG 3.57Å; G251-C302 PolarHBondContact O-SG 3.26Å; V252-C302 PolarHBondContact O-N 3.33Å |
| 303 | D | 67.7 | Low | 77.9 | Confident | 107 Ų | 107 | 30.8 Ų | 30.8 | 57% | 0.572 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | 5.3 | -176.3 | 71.5 | -23.7 | 0 | 0 | 0 | 113.7 | Q301 | Q301-D303 WeakPolarHBondContact CB-OD1 3.46Å; Q301-D303 PolarHBondContact NE2-OD1 3.14Å; Q301-D303 PolarHBondContact O-N 2.84Å |
| 304 | S | 68.8 | Low | 78.6 | Confident | 38 Ų | 38 | 29 Ų | 29 | 27% | 0.266 | 16% | 0.155 | S | C | . | . | trans | -146.2 | 126.7 | -175.8 | -156.4 | 0 | 0 | 0 | 0 | 113.6 | Q301 L306 | Q301-S304 PolarHBondContact O-N 3.47Å; S304-L306 PolarHBondContact O-N 2.92Å | ||
| 305 | S | 67 | Low | 78.3 | Confident | 57 Ų | 57 | 31 Ų | 31 | 40% | 0.399 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -73.5 | -4.5 | 174 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 306 | L | 78.3 | Confident | 77 | Confident | 107 Ų | 107 | 32.9 Ų | 32.9 | 56% | 0.56 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -113.6 | 123.5 | -179.8 | -70.2 | 175.4 | 0 | 0 | 0 | 111 | S304 R308 | S304-L306 PolarHBondContact O-N 2.92Å; L306-R308 PolarHBondContact O-N 2.73Å |
| 307 | P | 85.7 | Confident | 75 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | trans | -63.6 | 134.1 | 174.1 | 21.4 | -30.9 | 0 | 0 | 0 | 112.1 | E194 V299 Y300 F309 | E194-P307 WeakPolarHBondContact OE1-CD 3.34Å; E194-P307 WeakPolarHBondContact OE1-CG 3.45Å; V299-P307 WeakPolarHBondContact O-CA 3.43Å; Y300-P307 HydrophobicContact CD1-CB 3.76Å; Y300-P307 HydrophobicContact CD1-CG 4.09Å; Y300-P307 HydrophobicContact CD2-CB 4.15Å; Y300-P307 HydrophobicContact CE1-CB 3.51Å; Y300-P307 HydrophobicContact CE1-CG 3.46Å; Y300-P307 VanDerWaalsContact CE1-CG 3.46Å; Y300-P307 HydrophobicContact CE2-CB 3.9Å; Y300-P307 HydrophobicContact CE2-CG 4.49Å; Y300-P307 HydrophobicContact CG-CB 4.08Å; P307-F309 HydrophobicContact CB-CE2 3.78Å; P307-F309 HydrophobicContact CB-CZ 4.03Å; P307-F309 HydrophobicContact CG-CE2 3.76Å; P307-F309 HydrophobicContact CG-CZ 4.03Å; P307-F309 WeakPolarHBondContact O-CE2 3.42Å | ||
| 308 | R | 86.9 | Confident | 72.6 | Confident | 117 Ų | 117 | 41.2 Ų | 41.2 | 44% | 0.442 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 139.4 | 167 | -59.9 | -169.3 | -167.3 | 179.6 | 13 | 109.6 | V299 L306 Y310 | V299-R308 PolarHBondContact N-O 3.37Å; V299-R308 PolarHBondContact O-N 3.22Å; L306-R308 PolarHBondContact O-N 2.73Å; R308-Y310 HydrophobicContact CB-CE2 3.69Å; R308-Y310 WeakPolarHBondContact CD-OH 3.29Å |
| 309 | F | 88.3 | Confident | 70.2 | Confident | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.5 | 178.4 | -67.7 | -93.8 | 0 | 0 | 0 | 110.5 | I179 K181 P182 L184 L296 L297 A298 P307 | I179-F309 HydrophobicContact CD1-CB 4.29Å; I179-F309 HydrophobicContact CG1-CB 3.7Å; I179-F309 PolarHBondContact N-O 3.3Å; K181-F309 HydrophobicContact CB-CD2 4.09Å; K181-F309 HydrophobicContact CB-CE2 4.11Å; K181-F309 HydrophobicContact CD-CE2 4.18Å; K181-F309 HydrophobicContact CG-CD2 4.17Å; K181-F309 HydrophobicContact CG-CE2 3.67Å; K181-F309 HydrophobicContact CG-CZ 4.4Å; P182-F309 VanDerWaalsContact CD-CD1 3.48Å; P182-F309 VanDerWaalsContact CD-CG 3.46Å; P182-F309 HydrophobicContact CG-CD1 3.75Å; P182-F309 HydrophobicContact CG-CE1 3.73Å; P182-F309 HydrophobicContact CG-CG 4.26Å; P182-F309 HydrophobicContact CG-CZ 4.25Å; L184-F309 HydrophobicContact CD1-CZ 4.21Å; L184-F309 HydrophobicContact CD2-CE1 4.17Å; L184-F309 HydrophobicContact CD2-CZ 3.92Å; L184-F309 HydrophobicContact CG-CZ 4.41Å; L296-F309 HydrophobicContact CD1-CD1 4.17Å; L297-F309 WeakPolarHBondContact O-CA 3.34Å; A298-F309 HydrophobicContact CB-CD1 3.89Å; A298-F309 HydrophobicContact CB-CE1 3.51Å; A298-F309 HydrophobicContact CB-CZ 4.14Å; P307-F309 HydrophobicContact CB-CE2 3.78Å; P307-F309 HydrophobicContact CB-CZ 4.03Å; P307-F309 HydrophobicContact CG-CE2 3.76Å; P307-F309 HydrophobicContact CG-CZ 4.03Å; P307-F309 WeakPolarHBondContact O-CE2 3.42Å |
| 310 | Y | 87.2 | Confident | 67.7 | Low | 19 Ų | 19 | 48.6 Ų | 48.6 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.4 | 177.2 | -60 | -86.9 | 0 | 0 | 0 | 109.6 | L176 T177 P178 A255 L297 V299 R308 | L176-Y310 HydrophobicContact CB-CD1 3.82Å; L176-Y310 HydrophobicContact CB-CE1 4.49Å; L176-Y310 HydrophobicContact CB-CG 4.19Å; T177-Y310 CarbonylContact O-C 3.51Å; T177-Y310 VanDerWaalsContact O-CA 3.26Å; T177-Y310 WeakPolarHBondContact O-CA 3.24Å; P178-Y310 HydrophobicContact CB-CD1 4.18Å; P178-Y310 HydrophobicContact CB-CE1 4.06Å; A255-Y310 HydrophobicContact CB-CE2 3.94Å; A255-Y310 WeakPolarHBondContact CB-OH 3.44Å; L297-Y310 HydrophobicContact CD2-CD2 4.26Å; L297-Y310 PolarHBondContact N-O 2.86Å; L297-Y310 PolarHBondContact O-N 3.12Å; V299-Y310 HydrophobicContact CB-CE2 4.35Å; V299-Y310 HydrophobicContact CG2-CD2 3.89Å; V299-Y310 HydrophobicContact CG2-CE2 3.9Å; R308-Y310 HydrophobicContact CB-CE2 3.69Å; R308-Y310 WeakPolarHBondContact CD-OH 3.29Å |
| 311 | E | 81.6 | Confident | 65.4 | Low | 13 Ų | 13 | 53.7 Ų | 53.7 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 111.5 | 161.2 | -176.3 | 171.1 | 145.2 | 0 | 0 | 107.3 | T177 I179 P294 T411 L412 F413 | T177-E311 WeakPolarHBondContact CB-O 3.47Å; T177-E311 PolarHBondContact N-O 3.29Å; T177-E311 PolarHBondContact O-N 3.28Å; I179-E311 HydrophobicContact CD1-CB 4.46Å; I179-E311 HydrophobicContact CG2-CB 3.7Å; P294-E311 HydrophobicContact CB-CG 3.35Å; P294-E311 WeakPolarHBondContact CB-OE1 3.08Å; P294-E311 HydrophobicContact CG-CG 4.27Å; P294-E311 WeakPolarHBondContact CG-OE1 3.24Å; E311-T411 WeakPolarHBondContact OE1-CA 2.96Å; E311-T411 WeakPolarHBondContact OE1-CB 3.2Å; E311-T411 WeakPolarHBondContact OE1-CG2 3.41Å; E311-L412 VanDerWaalsContact CD-N 3.35Å; E311-L412 HydrophobicContact CG-CB 4.44Å; E311-L412 PolarHBondContact OE1-N 2.89Å; E311-L412 PolarHBondContact OE2-N 3.41Å; E311-F413 VanDerWaalsContact OE2-CB 3.28Å; E311-F413 WeakPolarHBondContact OE2-CB 3.35Å; E311-F413 PolarHBondContact OE2-N 3.2Å |
| 312 | T | 76.9 | Confident | 63.5 | Low | 10 Ų | 10 | 59 Ų | 59 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.6 | -175.9 | 74.2 | 0 | 0 | 0 | 0 | 110.5 | N175 L176 P294 M295 L297 | N175-T312 CarbonylContact O-C 3.59Å; N175-T312 WeakPolarHBondContact O-CA 3.42Å; L176-T312 HydrophobicContact CD2-CG2 3.46Å; L176-T312 VanDerWaalsContact CD2-CG2 3.46Å; P294-T312 CarbonylContact C-O 3.59Å; P294-T312 WeakPolarHBondContact CA-O 3.38Å; P294-T312 WeakPolarHBondContact CB-O 3.39Å; M295-T312 WeakPolarHBondContact CB-OG1 3.19Å; M295-T312 HydrophobicContact CE-CG2 4.02Å; M295-T312 VanDerWaalsContact CE-OG1 3.25Å; M295-T312 WeakPolarHBondContact CE-OG1 2.95Å; M295-T312 PolarHBondContact N-O 3.42Å; M295-T312 WeakPolarHBondContact O-CB 3.27Å; M295-T312 PolarHBondContact O-N 3.44Å; M295-T312 PolarHBondContact O-OG1 3.03Å; L297-T312 HydrophobicContact CB-CG2 3.46Å; L297-T312 VanDerWaalsContact CB-CG2 3.46Å; L297-T312 HydrophobicContact CD2-CG2 4.04Å; L297-T312 HydrophobicContact CG-CG2 4.39Å |
| 313 | S | 67.5 | Low | 62.3 | Low | 21 Ų | 21 | 60.5 Ų | 60.5 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.3 | 177.3 | 57 | 0 | 0 | 0 | 0 | 110.5 | N175 | N175-S313 WeakPolarHBondContact CB-OG 3.45Å; N175-S313 PolarHBondContact N-O 2.9Å; N175-S313 PolarHBondContact O-N 2.9Å |
| 314 | I | 64.9 | Low | 61.7 | Low | 34 Ų | 34 | 60.6 Ų | 60.6 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 115.5 | 175.5 | -51.6 | 171 | 0 | 0 | 0 | 106.7 | Y172 I268 N292 L339 | Y172-I314 HydrophobicContact CD2-CG2 4.38Å; I268-I314 HydrophobicContact CD1-CD1 3.48Å; I268-I314 VanDerWaalsContact CD1-CD1 3.48Å; I268-I314 HydrophobicContact CD1-CG1 3.9Å; I268-I314 HydrophobicContact CG1-CD1 3.98Å; I268-I314 HydrophobicContact CG2-CD1 4.19Å; N292-I314 PolarHBondContact ND2-O 3.21Å; I314-L339 HydrophobicContact CD1-CD1 3.65Å; I314-L339 HydrophobicContact CG2-CD1 4.05Å |
| 315 | V | 56.9 | Low | 61.2 | Low | 48 Ų | 48 | 59.1 Ų | 59.1 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | trans | -104.1 | 121.8 | -176.3 | 165.6 | 0 | 0 | 0 | 0 | 111.1 | L173 N175 S317 | L173-V315 HydrophobicContact CD2-CB 4.4Å; L173-V315 HydrophobicContact CD2-CG1 4.24Å; L173-V315 PolarHBondContact O-N 3.4Å; N175-V315 HydrophobicContact CB-CB 4.49Å; N175-V315 HydrophobicContact CB-CG2 3.75Å; N175-V315 WeakPolarHBondContact OD1-CB 3.48Å; V315-S317 VanDerWaalsContact C-N 3.33Å; V315-S317 PolarHBondContact O-N 3.13Å | ||
| 316 | H | 52.4 | Low | 61.2 | Low | 54 Ų | 54 | 57.1 Ų | 57.1 | 25% | 0.25 | 30% | 0.303 | C | S | . | . | trans | -66.1 | 91 | 165 | -55 | 112.3 | 0 | 0 | 0 | 108.8 | Y318 Q340 | H316-Y318 PolarHBondContact O-N 2.94Å; H316-Q340 VanDerWaalsContact CD2-CD 3.5Å; H316-Q340 PolarHBondContact CD2-NE2 3.07Å | ||
| 317 | S | 43.3 | Very low | 60.7 | Low | 45 Ų | 45 | 52.2 Ų | 52.2 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | trans | -74 | 114.6 | -177.6 | 47.3 | 0 | 0 | 0 | 0 | 111.8 | V315 E319 | V315-S317 VanDerWaalsContact C-N 3.33Å; V315-S317 PolarHBondContact O-N 3.13Å; S317-E319 PolarHBondContact O-N 2.92Å | ||
| 318 | Y | 37.9 | Very low | 59.9 | Low | 134 Ų | 134 | 55.4 Ų | 55.4 | 53% | 0.525 | 29% | 0.289 | S | S | . | . | trans | -69.3 | 76.7 | 155.8 | -59.6 | -88.5 | 0 | 0 | 0 | 109.1 | H316 T320 F404 V405 C406 | H316-Y318 PolarHBondContact O-N 2.94Å; Y318-T320 PolarHBondContact O-N 3.36Å; Y318-F404 WeakPolarHBondContact CE1-O 3.36Å; Y318-V405 WeakPolarHBondContact OH-CA 3.19Å; Y318-C406 HydrophobicContact CE2-CB 4.02Å; Y318-C406 PolarHBondContact OH-N 2.56Å | ||
| 319 | E | 40.2 | Very low | 59.2 | Low | 48 Ų | 48 | 49.9 Ų | 49.9 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | trans | -64.2 | 90.5 | 148.4 | -78.9 | -170.9 | 147.3 | 0 | 0 | 105.8 | S317 D321 K342 K372 K403 | S317-E319 PolarHBondContact O-N 2.92Å; E319-D321 PolarHBondContact O-N 3.29Å; E319-K342 IonicContact OE2-NZ 3.61Å; E319-K342 PolarHBondContact OE2-NZ 3.46Å; E319-K372 IonicContact OE1-NZ 2.68Å; E319-K372 PolarHBondContact OE1-NZ 2.6Å; E319-K372 IonicContact OE2-NZ 2.77Å; E319-K372 PolarHBondContact OE2-NZ 2.89Å; E319-K403 PolarHBondContact O-NZ 3.11Å | ||
| 320 | T | 35.2 | Very low | 58.2 | Low | 106 Ų | 106 | 51 Ų | 51 | 65% | 0.65 | 27% | 0.272 | S | S | * | . | trans | -62.5 | -23.5 | 166.3 | 41.3 | 0 | 0 | 0 | 0 | 110.7 | Y318 T322 | Y318-T320 PolarHBondContact O-N 3.36Å; T320-T322 PolarHBondContact O-N 3.49Å | ||
| 321 | D | 37.3 | Very low | 57.2 | Low | 113 Ų | 113 | 50.4 Ų | 50.4 | 60% | 0.604 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -63 | 124.8 | 175.6 | -62.9 | -9.2 | 0 | 0 | 0 | 111.5 | E319 C323 | E319-D321 PolarHBondContact O-N 3.29Å; D321-C323 PolarHBondContact O-N 3.05Å |
| 322 | T | 37.9 | Very low | 56.1 | Low | 127 Ų | 127 | 53 Ų | 53 | 78% | 0.779 | 28% | 0.283 | S | S | * | . | trans | -67.9 | 52.1 | -170.3 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | T320 D324 | T320-T322 PolarHBondContact O-N 3.49Å; T322-D324 PolarHBondContact O-N 3.46Å | ||
| 323 | C | 45.6 | Very low | 54.9 | Low | 57 Ų | 57 | 57 Ų | 57 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | trans | -86.1 | 93.7 | 179.5 | -68.6 | 0 | 0 | 0 | 0 | 112.7 | D321 S325 | D321-C323 PolarHBondContact O-N 3.05Å; C323-S325 PolarHBondContact O-N 3Å | ||
| 324 | D | 55.5 | Low | 54 | Low | 110 Ų | 110 | 60.9 Ų | 60.9 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 38.6 | 179.1 | -72.5 | -16.1 | 0 | 0 | 0 | 114.8 | T322 L380 | T322-D324 PolarHBondContact O-N 3.46Å; D324-L380 HydrophobicContact CB-CD2 4.24Å; D324-L380 WeakPolarHBondContact O-CD2 3.39Å |
| 325 | S | 58.3 | Low | 53.3 | Low | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -143.1 | 22.4 | -175.4 | 49.6 | 0 | 0 | 0 | 0 | 116.4 | C323 I345 N373 | C323-S325 PolarHBondContact O-N 3Å; S325-I345 PolarHBondContact O-N 3.14Å; S325-N373 WeakPolarHBondContact CB-O 3.3Å; S325-N373 PolarHBondContact OG-O 2.9Å |
| 326 | S | 66.1 | Low | 52.7 | Low | 16 Ų | 16 | 67 Ų | 67 | 11% | 0.112 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.3 | 172.2 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | K342 F343 T344 | S326-K342 WeakPolarHBondContact OG-CE 3.33Å; S326-F343 CarbonylContact C-O 3.59Å; S326-F343 WeakPolarHBondContact CA-O 3.4Å; S326-T344 WeakPolarHBondContact OG-CG2 3.33Å; S326-T344 PolarHBondContact OG-OG1 3.11Å |
| 327 | V | 68.5 | Low | 52.6 | Low | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.5 | 174.2 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | F343 L380 L383 K384 V387 Y399 | V327-F343 PolarHBondContact N-O 3.37Å; V327-F343 PolarHBondContact O-N 2.92Å; V327-L380 HydrophobicContact CG2-CD1 4.14Å; V327-L383 HydrophobicContact CB-CD2 4.24Å; V327-L383 HydrophobicContact CB-CG 4.24Å; V327-L383 HydrophobicContact CG2-CB 4.38Å; V327-L383 HydrophobicContact CG2-CD2 3.71Å; V327-L383 HydrophobicContact CG2-CG 3.71Å; V327-K384 HydrophobicContact CG2-CB 4.39Å; V327-K384 HydrophobicContact CG2-CG 3.48Å; V327-K384 VanDerWaalsContact CG2-CG 3.48Å; V327-V387 HydrophobicContact CG1-CB 3.96Å; V327-V387 HydrophobicContact CG1-CG1 3.76Å; V327-V387 HydrophobicContact CG1-CG2 4.33Å; V327-Y399 HydrophobicContact CG1-CD2 4.17Å; V327-Y399 HydrophobicContact CG1-CE2 3.6Å |
| 328 | Y | 69.6 | Low | 53.3 | Low | 77 Ų | 77 | 66.7 Ų | 66.7 | 30% | 0.302 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 134.2 | -176.6 | -67 | -94.9 | 0 | 0 | 0 | 110.5 | L341 K342 F400 | Y328-L341 WeakPolarHBondContact CA-O 3.25Å; Y328-K342 HydrophobicContact CD1-CB 4.11Å; Y328-K342 HydrophobicContact CD1-CG 4.24Å; Y328-K342 HydrophobicContact CE1-CB 3.98Å; Y328-K342 HydrophobicContact CE1-CD 3.81Å; Y328-K342 HydrophobicContact CE1-CG 3.83Å; Y328-K342 HydrophobicContact CE2-CG 4.48Å; Y328-K342 WeakPolarHBondContact OH-CE 3.49Å; Y328-K342 PolarHBondContact OH-NZ 2.75Å; Y328-F400 PolarHBondContact O-N 3.4Å |
| 329 | I | 72.2 | Confident | 54.6 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 150 | 169.6 | 65.2 | 174.3 | 0 | 0 | 0 | 109.6 | L170 Q340 L341 F343 V387 L397 | L170-I329 HydrophobicContact CD1-CD1 4.5Å; I329-Q340 WeakPolarHBondContact O-CA 3.25Å; I329-L341 HydrophobicContact CD1-CB 4.28Å; I329-L341 HydrophobicContact CD1-CD1 4.44Å; I329-L341 HydrophobicContact CG1-CB 3.84Å; I329-L341 PolarHBondContact N-O 2.89Å; I329-L341 PolarHBondContact O-N 3.1Å; I329-F343 HydrophobicContact CD1-CD2 4.45Å; I329-F343 HydrophobicContact CD1-CE2 3.96Å; I329-F343 HydrophobicContact CG2-CD2 4.38Å; I329-V387 HydrophobicContact CG2-CG1 3.23Å; I329-L397 HydrophobicContact CD1-CD1 4.41Å; I329-L397 HydrophobicContact CD1-CD2 4.07Å |
| 330 | R | 67 | Low | 55.8 | Low | 29 Ų | 29 | 61.2 Ų | 61.2 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.8 | 172.8 | -76.1 | 172.6 | 174.8 | -177.3 | -3 | 109.8 | H332 P338 L339 Q340 L397 E398 F400 F404 | R330-H332 VanDerWaalsContact CB-NE2 3.33Å; R330-H332 WeakPolarHBondContact CB-NE2 3.45Å; R330-P338 HydrophobicContact CB-CB 3.86Å; R330-P338 HydrophobicContact CB-CG 4.5Å; R330-P338 HydrophobicContact CG-CB 4.09Å; R330-P338 HydrophobicContact CG-CG 4.25Å; R330-L339 CarbonylContact C-O 3.56Å; R330-L339 WeakPolarHBondContact CA-O 3.27Å; R330-Q340 HydrophobicContact CG-CG 4.35Å; R330-L397 CarbonylContact O-C 3.58Å; R330-L397 WeakPolarHBondContact O-CA 3.35Å; R330-E398 HydrophobicContact CB-CB 4.1Å; R330-E398 VanDerWaalsContact CD-OE1 3.23Å; R330-E398 WeakPolarHBondContact CD-OE1 3.48Å; R330-E398 IonicContact CZ-OE1 3.59Å; R330-E398 PolarHBondContact N-O 2.96Å; R330-E398 IonicContact NE-OE1 2.78Å; R330-E398 IonicContact NH1-OE1 2.69Å; R330-E398 PolarHBondContact NH1-OE1 3.4Å; R330-E398 PolarHBondContact O-N 2.87Å; R330-F400 HydrophobicContact CG-CB 4.49Å; R330-F404 VanDerWaalsContact NH2-CD2 3.27Å; R330-F404 VanDerWaalsContact NH2-CE2 3.27Å |
| 331 | L | 66 | Low | 57.6 | Low | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.1 | 171.4 | 180 | 61 | 0 | 0 | 0 | 109.4 | W113 L269 R333 F335 P338 L339 L397 | W113-L331 HydrophobicContact CH2-CD1 4.07Å; L269-L331 HydrophobicContact CD2-CD2 3.44Å; L269-L331 VanDerWaalsContact CD2-CD2 3.44Å; L331-R333 HydrophobicContact CD1-CB 3.73Å; L331-R333 HydrophobicContact CD1-CG 3.65Å; L331-R333 HydrophobicContact CG-CB 4.26Å; L331-F335 HydrophobicContact CD2-CE2 3.89Å; L331-F335 HydrophobicContact CG-CD2 4.3Å; L331-F335 HydrophobicContact CG-CE2 4.07Å; L331-F335 WeakPolarHBondContact O-CD2 3.42Å; L331-P338 WeakPolarHBondContact O-CA 3.3Å; L331-L339 HydrophobicContact CB-CB 4.22Å; L331-L339 HydrophobicContact CD2-CD2 4.2Å; L331-L339 PolarHBondContact N-O 2.98Å; L331-L339 PolarHBondContact O-N 2.85Å; L331-L397 HydrophobicContact CB-CD2 4.23Å; L331-L397 HydrophobicContact CD1-CD2 3.83Å |
| 332 | H | 59.2 | Low | 59.4 | Low | 69 Ų | 69 | 51.7 Ų | 51.7 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | trans | -94.3 | 12.9 | 176.5 | -67.2 | -112.7 | 0 | 0 | 0 | 112.4 | R330 N334 P338 G396 E398 | R330-H332 VanDerWaalsContact CB-NE2 3.33Å; R330-H332 WeakPolarHBondContact CB-NE2 3.45Å; H332-N334 PolarHBondContact O-N 2.93Å; H332-N334 VanDerWaalsContact O-N 3.12Å; H332-P338 WeakPolarHBondContact NE2-CB 3.46Å; H332-G396 PolarHBondContact N-O 2.83Å; H332-E398 IonicContact CE1-OE2 3.76Å; H332-E398 PolarHBondContact CE1-OE2 3.27Å; H332-E398 WeakPolarHBondContact NE2-CB 3.47Å; H332-E398 IonicContact NE2-OE1 3.44Å; H332-E398 IonicContact NE2-OE2 2.73Å; H332-E398 PolarHBondContact NE2-OE2 3.28Å | ||
| 333 | R | 51.4 | Low | 61.3 | Low | 92 Ų | 92 | 45.7 Ų | 45.7 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -72.1 | 107.2 | 177.2 | -74.9 | -171 | 174.9 | -174.3 | -3.2 | 109.7 | L331 F335 H395 G396 | L331-R333 HydrophobicContact CD1-CB 3.73Å; L331-R333 HydrophobicContact CD1-CG 3.65Å; L331-R333 HydrophobicContact CG-CB 4.26Å; R333-F335 WeakPolarHBondContact O-CD2 2.99Å; R333-F335 PolarHBondContact O-N 3.15Å; R333-H395 PolarHBondContact NE-O 3.38Å; R333-H395 PolarHBondContact NH2-O 3.01Å; R333-G396 PolarHBondContact N-O 3.01Å |
| 334 | N | 48.6 | Very low | 62.7 | Low | 104 Ų | 104 | 43 Ų | 43 | 56% | 0.556 | 20% | 0.204 | S | C | * | . | S | Bend | trans | 67.1 | -34.2 | 177.9 | -58.1 | -7.3 | 0 | 0 | 0 | 114.8 | E272 H332 | E272-N334 HydrophobicContact CB-CB 4.14Å; E272-N334 PolarHBondContact O-ND2 3.09Å; E272-N334 WeakPolarHBondContact OE2-CB 3.49Å; H332-N334 PolarHBondContact O-N 2.93Å; H332-N334 VanDerWaalsContact O-N 3.12Å |
| 335 | F | 49.8 | Very low | 63.8 | Low | 44 Ų | 44 | 37.9 Ų | 37.9 | 19% | 0.193 | 18% | 0.177 | C | C | . | . | trans | -61 | 136.5 | 176.1 | -52.5 | -73.5 | 0 | 0 | 0 | 112.5 | I268 E272 L331 R333 D337 L339 | I268-F335 HydrophobicContact CG2-CZ 4.29Å; I268-F335 WeakPolarHBondContact O-CZ 3.34Å; E272-F335 VanDerWaalsContact CD-CE1 3.48Å; E272-F335 HydrophobicContact CG-CD1 4.19Å; E272-F335 HydrophobicContact CG-CE1 3.8Å; E272-F335 HydrophobicContact CG-CZ 4.38Å; E272-F335 VanDerWaalsContact OE1-CD1 3.26Å; E272-F335 WeakPolarHBondContact OE1-CD1 3.49Å; E272-F335 WeakPolarHBondContact OE2-CD1 3.22Å; E272-F335 PolarHBondContact OE2-N 3.14Å; L331-F335 HydrophobicContact CD2-CE2 3.89Å; L331-F335 HydrophobicContact CG-CD2 4.3Å; L331-F335 HydrophobicContact CG-CE2 4.07Å; L331-F335 WeakPolarHBondContact O-CD2 3.42Å; R333-F335 WeakPolarHBondContact O-CD2 2.99Å; R333-F335 PolarHBondContact O-N 3.15Å; F335-D337 VanDerWaalsContact CB-O 3.24Å; F335-D337 WeakPolarHBondContact CB-O 3.49Å; F335-L339 HydrophobicContact CD2-CB 4.47Å; F335-L339 HydrophobicContact CE2-CB 4.38Å | ||
| 336 | K | 43.6 | Very low | 64.8 | Low | 167 Ų | 167 | 38 Ų | 38 | 73% | 0.726 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -83.3 | -24.1 | 174.3 | -150.1 | 177.3 | -171.8 | 177.3 | 0 | 112.8 | T290 | T290-K336 HydrophobicContact CG2-CB 3.66Å; T290-K336 HydrophobicContact CG2-CD 3.28Å; T290-K336 HydrophobicContact CG2-CG 4.14Å |
| 337 | D | 51.3 | Low | 65.3 | Low | 58 Ų | 58 | 37.4 Ų | 37.4 | 31% | 0.31 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -112.9 | 122.5 | 166.7 | -61.9 | -51.2 | 0 | 0 | 0 | 107.8 | T290 K291 F335 L339 | T290-D337 VanDerWaalsContact O-OD2 3.08Å; K291-D337 PolarHBondContact N-OD2 3.13Å; F335-D337 VanDerWaalsContact CB-O 3.24Å; F335-D337 WeakPolarHBondContact CB-O 3.49Å; D337-L339 PolarHBondContact O-N 2.94Å |
| 338 | P | 58.7 | Low | 65.6 | Low | 33 Ų | 33 | 37.4 Ų | 37.4 | 21% | 0.214 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 128.3 | -171.4 | 26.2 | -33.5 | 0 | 0 | 0 | 113.3 | R330 L331 H332 Q340 | R330-P338 HydrophobicContact CB-CB 3.86Å; R330-P338 HydrophobicContact CB-CG 4.5Å; R330-P338 HydrophobicContact CG-CB 4.09Å; R330-P338 HydrophobicContact CG-CG 4.25Å; L331-P338 WeakPolarHBondContact O-CA 3.3Å; H332-P338 WeakPolarHBondContact NE2-CB 3.46Å; P338-Q340 PolarHBondContact O-N 2.89Å |
| 339 | L | 64.2 | Low | 65.4 | Low | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.063 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 123.4 | 172.3 | 173.9 | 71.5 | 0 | 0 | 0 | 110.2 | I268 L269 I314 R330 L331 F335 D337 L341 | I268-L339 HydrophobicContact CG2-CD1 4.18Å; I268-L339 HydrophobicContact CG2-CD2 3.59Å; I268-L339 HydrophobicContact CG2-CG 4.48Å; L269-L339 HydrophobicContact CD2-CD2 4.36Å; I314-L339 HydrophobicContact CD1-CD1 3.65Å; I314-L339 HydrophobicContact CG2-CD1 4.05Å; R330-L339 CarbonylContact C-O 3.56Å; R330-L339 WeakPolarHBondContact CA-O 3.27Å; L331-L339 HydrophobicContact CB-CB 4.22Å; L331-L339 HydrophobicContact CD2-CD2 4.2Å; L331-L339 PolarHBondContact N-O 2.98Å; L331-L339 PolarHBondContact O-N 2.85Å; F335-L339 HydrophobicContact CD2-CB 4.47Å; F335-L339 HydrophobicContact CE2-CB 4.38Å; D337-L339 PolarHBondContact O-N 2.94Å; L339-L341 HydrophobicContact CD2-CD2 3.97Å; L339-L341 HydrophobicContact CD2-CG 4.33Å; L339-L341 HydrophobicContact CG-CD2 4.11Å; L339-L341 HydrophobicContact CG-CG 4.34Å |
| 340 | Q | 65.2 | Low | 64.6 | Low | 55 Ų | 55 | 43.4 Ų | 43.4 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.4 | 177 | -63.3 | 179.6 | 23.4 | 0 | 0 | 110.9 | H316 I329 R330 P338 | H316-Q340 VanDerWaalsContact CD2-CD 3.5Å; H316-Q340 PolarHBondContact CD2-NE2 3.07Å; I329-Q340 WeakPolarHBondContact O-CA 3.25Å; R330-Q340 HydrophobicContact CG-CG 4.35Å; P338-Q340 PolarHBondContact O-N 2.89Å |
| 341 | L | 72.9 | Confident | 63.6 | Low | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.7 | 173.6 | -54.6 | 172.7 | 0 | 0 | 0 | 109.4 | L170 Y172 L265 Y328 I329 L339 | L170-L341 HydrophobicContact CD1-CB 3.89Å; L170-L341 HydrophobicContact CD2-CD1 4.38Å; Y172-L341 HydrophobicContact CG-CD2 4.34Å; L265-L341 HydrophobicContact CD1-CD2 4.03Å; Y328-L341 WeakPolarHBondContact CA-O 3.25Å; I329-L341 HydrophobicContact CD1-CB 4.28Å; I329-L341 HydrophobicContact CD1-CD1 4.44Å; I329-L341 HydrophobicContact CG1-CB 3.84Å; I329-L341 PolarHBondContact N-O 2.89Å; I329-L341 PolarHBondContact O-N 3.1Å; L339-L341 HydrophobicContact CD2-CD2 3.97Å; L339-L341 HydrophobicContact CD2-CG 4.33Å; L339-L341 HydrophobicContact CG-CD2 4.11Å; L339-L341 HydrophobicContact CG-CG 4.34Å |
| 342 | K | 76.7 | Confident | 62.4 | Low | 17 Ų | 17 | 51.2 Ų | 51.2 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 106.3 | -169.6 | -176.5 | -177.3 | -178.9 | 166.7 | 0 | 110.6 | D171 E319 S326 Y328 | D171-K342 PolarHBondContact N-O 2.86Å; D171-K342 PolarHBondContact O-N 3.46Å; E319-K342 IonicContact OE2-NZ 3.61Å; E319-K342 PolarHBondContact OE2-NZ 3.46Å; S326-K342 WeakPolarHBondContact OG-CE 3.33Å; Y328-K342 HydrophobicContact CD1-CB 4.11Å; Y328-K342 HydrophobicContact CD1-CG 4.24Å; Y328-K342 HydrophobicContact CE1-CB 3.98Å; Y328-K342 HydrophobicContact CE1-CD 3.81Å; Y328-K342 HydrophobicContact CE1-CG 3.83Å; Y328-K342 HydrophobicContact CE2-CG 4.48Å; Y328-K342 WeakPolarHBondContact OH-CE 3.49Å; Y328-K342 PolarHBondContact OH-NZ 2.75Å |
| 343 | F | 77.3 | Confident | 61.7 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130.7 | 164.7 | -80.5 | -64.8 | 0 | 0 | 0 | 109.3 | I109 I112 L168 V169 L170 S326 V327 I329 L383 V387 | I109-F343 HydrophobicContact CB-CZ 4.38Å; I109-F343 HydrophobicContact CG1-CE1 4.36Å; I109-F343 HydrophobicContact CG1-CZ 4.24Å; I109-F343 HydrophobicContact CG2-CE2 4.1Å; I109-F343 HydrophobicContact CG2-CZ 3.85Å; I112-F343 HydrophobicContact CD1-CE1 4.1Å; I112-F343 HydrophobicContact CG2-CE1 4.46Å; L168-F343 HydrophobicContact CD1-CB 4.2Å; L168-F343 HydrophobicContact CD1-CD1 3.85Å; L168-F343 HydrophobicContact CD1-CG 4.38Å; L168-F343 HydrophobicContact CD2-CD1 3.97Å; L168-F343 HydrophobicContact CD2-CE1 4.02Å; L168-F343 HydrophobicContact CG-CD1 3.91Å; L168-F343 HydrophobicContact CG-CE1 4.35Å; V169-F343 WeakPolarHBondContact O-CA 3.05Å; L170-F343 HydrophobicContact CB-CD1 4.19Å; L170-F343 HydrophobicContact CB-CE1 3.96Å; L170-F343 HydrophobicContact CD1-CD1 3.87Å; L170-F343 HydrophobicContact CD1-CD2 4.13Å; L170-F343 HydrophobicContact CD1-CE1 3.76Å; L170-F343 HydrophobicContact CD1-CE2 4.03Å; L170-F343 HydrophobicContact CD1-CG 4.06Å; L170-F343 HydrophobicContact CD1-CZ 3.84Å; L170-F343 HydrophobicContact CG-CE1 4.36Å; S326-F343 CarbonylContact C-O 3.59Å; S326-F343 WeakPolarHBondContact CA-O 3.4Å; V327-F343 PolarHBondContact N-O 3.37Å; V327-F343 PolarHBondContact O-N 2.92Å; I329-F343 HydrophobicContact CD1-CD2 4.45Å; I329-F343 HydrophobicContact CD1-CE2 3.96Å; I329-F343 HydrophobicContact CG2-CD2 4.38Å; F343-L383 HydrophobicContact CB-CD1 4.5Å; F343-V387 HydrophobicContact CB-CG2 4.45Å; F343-V387 HydrophobicContact CD2-CG1 4.11Å; F343-V387 HydrophobicContact CD2-CG2 3.78Å; F343-V387 HydrophobicContact CE2-CG2 4.37Å; F343-V387 HydrophobicContact CG-CG2 4.32Å |
| 344 | T | 75.5 | Confident | 61.1 | Low | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139.5 | 174.5 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | V20 V169 S326 | V20-T344 HydrophobicContact CG1-CG2 3.64Å; V169-T344 PolarHBondContact N-O 2.96Å; V169-T344 PolarHBondContact O-N 3.33Å; S326-T344 WeakPolarHBondContact OG-CG2 3.33Å; S326-T344 PolarHBondContact OG-OG1 3.11Å |
| 345 | I | 78 | Confident | 61 | Low | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.6 | 172.8 | -62.8 | 167.6 | 0 | 0 | 0 | 109.4 | L105 C167 L168 S325 N373 L383 | L105-I345 HydrophobicContact CD1-CD1 4.33Å; L105-I345 HydrophobicContact CD2-CD1 3.74Å; L105-I345 HydrophobicContact CD2-CG1 4.13Å; C167-I345 WeakPolarHBondContact O-CA 3.42Å; L168-I345 HydrophobicContact CD1-CG1 4.15Å; S325-I345 PolarHBondContact O-N 3.14Å; I345-N373 HydrophobicContact CG2-CB 4.33Å; I345-N373 PolarHBondContact O-N 3.5Å; I345-N373 VanDerWaalsContact O-N 3.14Å; I345-L383 HydrophobicContact CD1-CB 4.04Å; I345-L383 HydrophobicContact CD1-CD1 4.19Å; I345-L383 HydrophobicContact CD1-CD2 3.89Å; I345-L383 HydrophobicContact CD1-CG 4.25Å; I345-L383 HydrophobicContact CG1-CD1 4.39Å; I345-L383 HydrophobicContact CG1-CD2 4.05Å |
| 346 | L | 78 | Confident | 60.4 | Low | 9 Ų | 9 | 46.4 Ų | 46.4 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.9 | 163.1 | -51.7 | 179.2 | 0 | 0 | 0 | 109 | V20 V26 E166 C167 V169 L370 V371 K372 | V20-L346 HydrophobicContact CG1-CD2 3.88Å; V26-L346 HydrophobicContact CB-CD1 4.11Å; V26-L346 HydrophobicContact CG2-CD1 3.56Å; E166-L346 CarbonylContact C-O 3.52Å; E166-L346 WeakPolarHBondContact CA-O 3.49Å; C167-L346 HydrophobicContact CB-CB 4.22Å; C167-L346 PolarHBondContact N-O 2.94Å; C167-L346 PolarHBondContact O-N 3.28Å; V169-L346 HydrophobicContact CG2-CD1 4Å; V169-L346 HydrophobicContact CG2-CG 4.3Å; L346-L370 HydrophobicContact CB-CB 4.02Å; L346-V371 CarbonylContact C-O 3.5Å; L346-V371 VanDerWaalsContact CA-O 3.25Å; L346-V371 WeakPolarHBondContact CA-O 3.31Å; L346-K372 HydrophobicContact CD2-CG 4.19Å |
| 347 | S | 77 | Confident | 60 | Low | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.3 | 176.2 | -176 | 0 | 0 | 0 | 0 | 110.9 | V165 L370 V371 N373 | V165-S347 CarbonylContact O-C 3.39Å; V165-S347 WeakPolarHBondContact O-CA 3.33Å; S347-L370 WeakPolarHBondContact O-CA 3.42Å; S347-V371 PolarHBondContact N-O 3.08Å; S347-V371 PolarHBondContact O-N 3.22Å; S347-N373 VanDerWaalsContact CB-CG 3.5Å; S347-N373 VanDerWaalsContact CB-ND2 3.27Å; S347-N373 WeakPolarHBondContact CB-ND2 3.27Å |
| 348 | S | 76.4 | Confident | 59.3 | Low | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 138.5 | 156.1 | 56.3 | 0 | 0 | 0 | 0 | 109 | V165 | V165-S348 PolarHBondContact N-OG 3.14Å; V165-S348 PolarHBondContact O-N 2.99Å; V165-S348 PolarHBondContact O-OG 2.98Å |
| 349 | V | 65.2 | Low | 58 | Low | 82 Ų | 82 | 54.2 Ų | 54.2 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | trans | -59.5 | 140 | 165.9 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | D351 V371 | V349-D351 PolarHBondContact O-N 2.71Å; V349-V371 HydrophobicContact CG2-CG2 3.9Å | ||
| 350 | E | 54.1 | Low | 56.7 | Low | 121 Ų | 121 | 57.8 Ų | 57.8 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | trans | -75.1 | 60.2 | 175.8 | -64.8 | -153.6 | 155.1 | 0 | 0 | 112 | K162 S352 | K162-E350 WeakPolarHBondContact CE-OE1 3.39Å; K162-E350 VanDerWaalsContact NZ-CD 3.27Å; K162-E350 IonicContact NZ-OE1 3.38Å; K162-E350 PolarHBondContact NZ-OE1 3.18Å; K162-E350 IonicContact NZ-OE2 3.54Å; K162-E350 PolarHBondContact NZ-OE2 3.2Å; E350-S352 PolarHBondContact O-N 3.39Å | ||
| 351 | D | 45.7 | Very low | 55.5 | Low | 108 Ų | 108 | 63.8 Ų | 63.8 | 58% | 0.578 | 35% | 0.35 | S | S | * | . | trans | -63.8 | 125.5 | 159.2 | -75.6 | -37.5 | 0 | 0 | 0 | 108.2 | V349 V353 | V349-D351 PolarHBondContact O-N 2.71Å; D351-V353 HydrophobicContact CB-CG2 4.06Å; D351-V353 WeakPolarHBondContact O-CG2 3.35Å; D351-V353 PolarHBondContact O-N 2.99Å | ||
| 352 | S | 41.8 | Very low | 54.4 | Low | 92 Ų | 92 | 71.5 Ų | 71.5 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | trans | -70.2 | 84.2 | 167.1 | 59.4 | 0 | 0 | 0 | 0 | 108.2 | E350 S354 | E350-S352 PolarHBondContact O-N 3.39Å; S352-S354 VanDerWaalsContact C-N 3.25Å; S352-S354 PolarHBondContact O-N 3.21Å | ||
| 353 | V | 44.8 | Very low | 53.7 | Low | 26 Ų | 26 | 73.5 Ų | 73.5 | 16% | 0.158 | 41% | 0.407 | C | S | . | . | trans | -69 | 81.7 | -173.1 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | F160 D351 L355 | F160-V353 VanDerWaalsContact O-O 3.08Å; D351-V353 HydrophobicContact CB-CG2 4.06Å; D351-V353 WeakPolarHBondContact O-CG2 3.35Å; D351-V353 PolarHBondContact O-N 2.99Å; V353-L355 HydrophobicContact CG1-CD2 3.86Å; V353-L355 HydrophobicContact CG1-CG 4.18Å; V353-L355 PolarHBondContact O-N 3.21Å | ||
| 354 | S | 37.4 | Very low | 53.7 | Low | 74 Ų | 74 | 77.4 Ų | 77.4 | 52% | 0.517 | 43% | 0.425 | S | S | . | . | trans | -54.7 | 99.3 | 141 | 57.8 | 0 | 0 | 0 | 0 | 106.3 | S352 | S352-S354 VanDerWaalsContact C-N 3.25Å; S352-S354 PolarHBondContact O-N 3.21Å | ||
| 355 | L | 47.2 | Very low | 53.8 | Low | 27 Ų | 27 | 79.6 Ų | 79.6 | 14% | 0.141 | 43% | 0.434 | C | S | . | . | trans | -47.7 | 121.2 | 177.3 | -76.5 | 167.8 | 0 | 0 | 0 | 106.9 | M158 F160 V353 K357 F366 | M158-L355 HydrophobicContact CB-CD1 3.58Å; M158-L355 HydrophobicContact CE-CD1 4.1Å; F160-L355 HydrophobicContact CD2-CD1 4.32Å; V353-L355 HydrophobicContact CG1-CD2 3.86Å; V353-L355 HydrophobicContact CG1-CG 4.18Å; V353-L355 PolarHBondContact O-N 3.21Å; L355-K357 PolarHBondContact O-N 3.13Å; L355-K357 VanDerWaalsContact O-N 3.14Å; L355-F366 HydrophobicContact CD2-CD1 4.03Å; L355-F366 HydrophobicContact CD2-CD2 4.33Å; L355-F366 HydrophobicContact CD2-CE1 3.73Å; L355-F366 HydrophobicContact CD2-CE2 4.03Å; L355-F366 HydrophobicContact CD2-CG 4.32Å; L355-F366 HydrophobicContact CD2-CZ 3.72Å | ||
| 356 | P | 36.6 | Very low | 53.7 | Low | 82 Ų | 82 | 80.8 Ų | 80.8 | 53% | 0.532 | 44% | 0.439 | S | S | . | . | trans | -56 | 127.5 | -160.8 | 18.9 | -31.9 | 0 | 0 | 0 | 108.7 | F358 | P356-F358 PolarHBondContact O-N 2.87Š| ||
| 357 | K | 35.2 | Very low | 53.7 | Low | 150 Ų | 150 | 83.9 Ų | 83.9 | 65% | 0.652 | 46% | 0.458 | S | S | * | . | trans | -44.7 | 134.9 | 175.2 | -75.8 | -173.4 | 169.6 | -175.9 | 0 | 107.9 | E157 L355 T359 | E157-K357 WeakPolarHBondContact OE1-CE 3.47Å; L355-K357 PolarHBondContact O-N 3.13Å; L355-K357 VanDerWaalsContact O-N 3.14Å; K357-T359 HydrophobicContact CB-CG2 4.49Å; K357-T359 PolarHBondContact O-N 2.96Å; K357-T359 PolarHBondContact O-OG1 3Å | ||
| 358 | F | 37.6 | Very low | 53.8 | Low | 145 Ų | 145 | 85 Ų | 85 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -64.4 | 69.6 | -164.9 | -77.7 | -97.2 | 0 | 0 | 0 | 113.2 | F156 P356 | F156-F358 WeakPolarHBondContact O-CE2 3.37Å; P356-F358 PolarHBondContact O-N 2.87Å |
| 359 | T | 31.5 | Very low | 53.9 | Low | 126 Ų | 126 | 89.3 Ų | 89.3 | 77% | 0.773 | 49% | 0.485 | S | S | * | . | trans | -131.9 | 21.4 | -170.7 | 66.8 | 0 | 0 | 0 | 0 | 112.6 | K357 | K357-T359 HydrophobicContact CB-CG2 4.49Å; K357-T359 PolarHBondContact O-N 2.96Å; K357-T359 PolarHBondContact O-OG1 3Å | ||
| 360 | S | 36.6 | Very low | 54.4 | Low | 87 Ų | 87 | 85.7 Ų | 85.7 | 61% | 0.608 | 46% | 0.463 | S | S | * | . | trans | -142.9 | 107.5 | 162.2 | 63.2 | 0 | 0 | 0 | 0 | 108.2 | N362 | S360-N362 PolarHBondContact O-N 2.83Š| ||
| 361 | E | 41 | Very low | 55.2 | Low | 182 Ų | 182 | 83.1 Ų | 83.1 | 85% | 0.85 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -18.7 | -155.2 | -65.8 | 173.1 | 114.5 | 0 | 0 | 114.8 | ||
| 362 | N | 49.7 | Very low | 56.3 | Low | 165 Ų | 165 | 80 Ų | 80 | 88% | 0.882 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 20.4 | -154.8 | -65.3 | -14.9 | 0 | 0 | 0 | 117.2 | S360 | S360-N362 PolarHBondContact O-N 2.83Š|
| 363 | S | 61.7 | Low | 57.1 | Low | 58 Ų | 58 | 76.8 Ų | 76.8 | 41% | 0.406 | 41% | 0.412 | S | S | . | . | trans | -107.9 | 134.5 | 171.2 | 85.3 | 0 | 0 | 0 | 0 | 112.7 | K32 Y365 | K32-S363 WeakPolarHBondContact CD-O 3.41Å; K32-S363 VanDerWaalsContact CE-O 3.27Å; K32-S363 WeakPolarHBondContact CE-O 3.49Å; K32-S363 PolarHBondContact NZ-O 2.71Å; K32-S363 PolarHBondContact NZ-OG 3.21Å; S363-Y365 PolarHBondContact OG-O 3.05Å | ||
| 364 | E | 76.4 | Confident | 57.4 | Low | 82 Ų | 82 | 83.7 Ų | 83.7 | 38% | 0.383 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -79.6 | -27.3 | 167.4 | 178.3 | -179.3 | -148.2 | 0 | 0 | 111.6 | R31 K32 | R31-E364 HydrophobicContact CG-CG 4.33Å; R31-E364 IonicContact CZ-OE1 2.64Å; R31-E364 IonicContact CZ-OE2 3.88Å; R31-E364 IonicContact NE-OE1 2.65Å; R31-E364 IonicContact NH1-OE1 3.66Å; R31-E364 PolarHBondContact NH1-OE1 3.48Å; R31-E364 IonicContact NH1-OE2 3.95Å; R31-E364 IonicContact NH2-OE1 2.74Å; R31-E364 IonicContact NH2-OE2 2.72Å; K32-E364 WeakPolarHBondContact CB-O 3.31Å; K32-E364 VanDerWaalsContact CG-O 3.24Å; K32-E364 WeakPolarHBondContact CG-O 3.45Å; K32-E364 PolarHBondContact N-O 2.97Å |
| 365 | Y | 77 | Confident | 57.9 | Low | 46 Ų | 46 | 81.2 Ų | 81.2 | 18% | 0.18 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 152 | -172.1 | -55 | -96.9 | 0 | 0 | 0 | 112.4 | M29 I30 R31 I69 S363 | M29-Y365 HydrophobicContact CB-CD1 4.26Å; M29-Y365 HydrophobicContact CE-CD1 4.28Å; M29-Y365 HydrophobicContact CE-CD2 4.16Å; M29-Y365 HydrophobicContact CE-CG 3.92Å; I30-Y365 CarbonylContact O-C 3.47Å; I30-Y365 VanDerWaalsContact O-CA 3.24Å; I30-Y365 WeakPolarHBondContact O-CA 3.42Å; R31-Y365 HydrophobicContact CB-CE1 4.49Å; R31-Y365 HydrophobicContact CG-CD1 3.92Å; R31-Y365 HydrophobicContact CG-CE1 3.37Å; R31-Y365 VanDerWaalsContact CZ-OH 3.29Å; R31-Y365 PolarHBondContact NE-OH 3.31Å; R31-Y365 VanDerWaalsContact NE-OH 3.16Å; R31-Y365 PolarHBondContact NH2-OH 3.18Å; R31-Y365 VanDerWaalsContact NH2-OH 3.08Å; I69-Y365 HydrophobicContact CG2-CD1 4.43Å; I69-Y365 HydrophobicContact CG2-CE1 3.74Å; S363-Y365 PolarHBondContact OG-O 3.05Å |
| 366 | F | 76.4 | Confident | 58.2 | Low | 30 Ų | 30 | 83.9 Ų | 83.9 | 13% | 0.132 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 143.8 | 151.6 | -56.9 | -66 | 0 | 0 | 0 | 108.8 | M29 I30 K32 C35 L355 W368 | M29-F366 CarbonylContact C-O 3.55Å; M29-F366 WeakPolarHBondContact CA-O 3.47Å; I30-F366 HydrophobicContact CG2-CB 4.01Å; I30-F366 HydrophobicContact CG2-CD2 4.27Å; I30-F366 PolarHBondContact N-O 3.13Å; I30-F366 PolarHBondContact O-N 2.97Å; K32-F366 HydrophobicContact CB-CE2 4.21Å; K32-F366 HydrophobicContact CD-CZ 4.35Å; K32-F366 HydrophobicContact CG-CD2 4Å; K32-F366 HydrophobicContact CG-CE1 4.13Å; K32-F366 HydrophobicContact CG-CE2 3.57Å; K32-F366 HydrophobicContact CG-CG 4.47Å; K32-F366 HydrophobicContact CG-CZ 3.65Å; C35-F366 HydrophobicContact CB-CD2 4.2Å; C35-F366 HydrophobicContact CB-CE2 3.97Å; L355-F366 HydrophobicContact CD2-CD1 4.03Å; L355-F366 HydrophobicContact CD2-CD2 4.33Å; L355-F366 HydrophobicContact CD2-CE1 3.73Å; L355-F366 HydrophobicContact CD2-CE2 4.03Å; L355-F366 HydrophobicContact CD2-CG 4.32Å; L355-F366 HydrophobicContact CD2-CZ 3.72Å; F366-W368 HydrophobicContact CB-CH2 3.82Å; F366-W368 HydrophobicContact CB-CZ3 3.97Å |
| 367 | T | 78.3 | Confident | 59.2 | Low | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.454 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131 | -173.5 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | K27 F28 M29 | K27-T367 HydrophobicContact CB-CG2 4.48Å; F28-T367 CarbonylContact O-C 3.43Å; F28-T367 VanDerWaalsContact O-CA 3.29Å; F28-T367 WeakPolarHBondContact O-CA 3.49Å; M29-T367 HydrophobicContact CG-CG2 3.8Å |
| 368 | W | 78.8 | Confident | 60.4 | Low | 25 Ų | 25 | 87.6 Ų | 87.6 | 10% | 0.095 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.1 | 168.7 | -60.2 | -102.6 | 0 | 0 | 0 | 109.4 | K27 F28 I30 F163 F366 | K27-W368 WeakPolarHBondContact CA-O 3.41Å; F28-W368 AromaticContact CD1-CE3 3.83Å; F28-W368 HydrophobicContact CD1-CE3 3.83Å; F28-W368 HydrophobicContact CD1-CZ3 4.06Å; F28-W368 HydrophobicContact CE1-CZ3 4.46Å; F28-W368 PolarHBondContact N-O 3.49Å; F28-W368 PolarHBondContact O-N 2.99Å; I30-W368 HydrophobicContact CB-CZ3 4.45Å; I30-W368 HydrophobicContact CG2-CH2 3.81Å; I30-W368 HydrophobicContact CG2-CZ3 3.5Å; F163-W368 HydrophobicContact CB-CZ2 4.38Å; F163-W368 HydrophobicContact CD1-CD2 4.17Å; F163-W368 AromaticContact CD1-CE2 3.5Å; F163-W368 AromaticContact CD1-CH2 3.75Å; F163-W368 HydrophobicContact CD1-CH2 3.75Å; F163-W368 AromaticContact CD1-CZ2 3.29Å; F163-W368 HydrophobicContact CD1-CZ2 3.29Å; F163-W368 HydrophobicContact CD1-CZ3 4.34Å; F163-W368 AromaticContact CD1-NE1 3.92Å; F163-W368 HydrophobicContact CD2-CZ2 4.36Å; F163-W368 HydrophobicContact CE1-CD2 4.1Å; F163-W368 AromaticContact CE1-CE2 3.81Å; F163-W368 HydrophobicContact CE1-CE3 4.03Å; F163-W368 AromaticContact CE1-CH2 3.42Å; F163-W368 HydrophobicContact CE1-CH2 3.42Å; F163-W368 VanDerWaalsContact CE1-CH2 3.42Å; F163-W368 AromaticContact CE1-CZ2 3.49Å; F163-W368 HydrophobicContact CE1-CZ2 3.49Å; F163-W368 VanDerWaalsContact CE1-CZ2 3.49Å; F163-W368 AromaticContact CE1-CZ3 3.69Å; F163-W368 HydrophobicContact CE1-CZ3 3.69Å; F163-W368 HydrophobicContact CE2-CH2 4.29Å; F163-W368 HydrophobicContact CG-CH2 4.3Å; F163-W368 AromaticContact CG-CZ2 3.77Å; F163-W368 HydrophobicContact CG-CZ2 3.77Å; F163-W368 AromaticContact CZ-CH2 3.74Å; F163-W368 HydrophobicContact CZ-CH2 3.74Å; F163-W368 HydrophobicContact CZ-CZ2 4.16Å; F163-W368 HydrophobicContact CZ-CZ3 4.11Å; F366-W368 HydrophobicContact CB-CH2 3.82Å; F366-W368 HydrophobicContact CB-CZ3 3.97Å |
| 369 | N | 78.7 | Confident | 61.8 | Low | 93 Ų | 93 | 81.3 Ų | 81.3 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.2 | 165.3 | -56.4 | -62.1 | 0 | 0 | 0 | 107.8 | ||
| 370 | L | 75.9 | Confident | 63.6 | Low | 7 Ų | 7 | 76.7 Ų | 76.7 | 4% | 0.037 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 128.1 | 170.4 | -47.6 | -176.9 | 0 | 0 | 0 | 108.3 | V26 F28 F131 V165 C167 L346 S347 | V26-L370 HydrophobicContact CB-CB 4.32Å; V26-L370 HydrophobicContact CG1-CD1 4.01Å; V26-L370 PolarHBondContact O-N 3.2Å; F28-L370 HydrophobicContact CB-CD2 4.29Å; F28-L370 HydrophobicContact CB-CG 4.45Å; F131-L370 HydrophobicContact CD1-CD1 4.23Å; F131-L370 HydrophobicContact CE1-CD1 3.69Å; V165-L370 HydrophobicContact CB-CD2 4.02Å; V165-L370 HydrophobicContact CG1-CD1 4.19Å; V165-L370 HydrophobicContact CG1-CD2 3.99Å; C167-L370 HydrophobicContact CB-CD1 3.95Å; L346-L370 HydrophobicContact CB-CB 4.02Å; S347-L370 WeakPolarHBondContact O-CA 3.42Å |
| 371 | V | 71.5 | Confident | 65.3 | Low | 66 Ų | 66 | 76.8 Ų | 76.8 | 40% | 0.4 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 157.3 | -178.7 | -66.3 | 0 | 0 | 0 | 0 | 110.3 | L346 S347 V349 N373 | L346-V371 CarbonylContact C-O 3.5Å; L346-V371 VanDerWaalsContact CA-O 3.25Å; L346-V371 WeakPolarHBondContact CA-O 3.31Å; S347-V371 PolarHBondContact N-O 3.08Å; S347-V371 PolarHBondContact O-N 3.22Å; V349-V371 HydrophobicContact CG2-CG2 3.9Å; V371-N373 PolarHBondContact O-N 3.49Å |
| 372 | K | 67.6 | Low | 67 | Low | 43 Ų | 43 | 70.6 Ų | 70.6 | 19% | 0.187 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.3 | 114.2 | 164.5 | -77.1 | -177.8 | 176 | 179.8 | 0 | 107.1 | V20 E319 L346 I374 | V20-K372 HydrophobicContact CG1-CD 4.37Å; V20-K372 HydrophobicContact CG1-CG 3.88Å; V20-K372 WeakPolarHBondContact O-CE 3.43Å; V20-K372 PolarHBondContact O-NZ 2.94Å; E319-K372 IonicContact OE1-NZ 2.68Å; E319-K372 PolarHBondContact OE1-NZ 2.6Å; E319-K372 IonicContact OE2-NZ 2.77Å; E319-K372 PolarHBondContact OE2-NZ 2.89Å; L346-K372 HydrophobicContact CD2-CG 4.19Å; K372-I374 PolarHBondContact O-N 3.32Å |
| 373 | N | 59.3 | Low | 68.3 | Low | 25 Ų | 25 | 62.8 Ų | 62.8 | 13% | 0.134 | 33% | 0.329 | C | S | . | . | trans | -67.1 | 123.3 | -166.7 | -165.3 | -5.5 | 0 | 0 | 0 | 109.5 | S325 I345 S347 V371 S375 | S325-N373 WeakPolarHBondContact CB-O 3.3Å; S325-N373 PolarHBondContact OG-O 2.9Å; I345-N373 HydrophobicContact CG2-CB 4.33Å; I345-N373 PolarHBondContact O-N 3.5Å; I345-N373 VanDerWaalsContact O-N 3.14Å; S347-N373 VanDerWaalsContact CB-CG 3.5Å; S347-N373 VanDerWaalsContact CB-ND2 3.27Å; S347-N373 WeakPolarHBondContact CB-ND2 3.27Å; V371-N373 PolarHBondContact O-N 3.49Å; N373-S375 PolarHBondContact O-N 3.44Å; N373-S375 VanDerWaalsContact O-N 3.11Å; N373-S375 PolarHBondContact OD1-N 2.93Å | ||
| 374 | I | 50.2 | Low | 69.1 | Low | 171 Ų | 171 | 63.1 Ų | 63.1 | 88% | 0.877 | 32% | 0.323 | S | S | * | . | trans | -88.1 | 58.4 | 167.9 | -48 | 179.8 | 0 | 0 | 0 | 106.8 | K372 | K372-I374 PolarHBondContact O-N 3.32Š| ||
| 375 | S | 49.1 | Very low | 69.3 | Low | 22 Ų | 22 | 64 Ų | 64 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | trans | -68.3 | 155.3 | -173.5 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | N373 | N373-S375 PolarHBondContact O-N 3.44Å; N373-S375 VanDerWaalsContact O-N 3.11Å; N373-S375 PolarHBondContact OD1-N 2.93Å | ||
| 376 | P | 53 | Low | 69.6 | Low | 83 Ų | 83 | 62.1 Ų | 62.1 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | trans | -52.4 | 152.2 | 160.8 | 26.4 | -34.9 | 0 | 0 | 0 | 110.4 | E378 N379 | P376-E378 PolarHBondContact O-N 3.38Å; P376-N379 PolarHBondContact O-N 2.79Å; P376-N379 VanDerWaalsContact O-N 3.13Å | ||
| 377 | K | 58 | Low | 69.8 | Low | 168 Ų | 168 | 60.7 Ų | 60.7 | 73% | 0.73 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -54.6 | -20.6 | -175.8 | -64.9 | -175.1 | 175.9 | -174.1 | 0 | 113.9 | T381 | K377-T381 WeakPolarHBondContact O-CB 3.33Å; K377-T381 PolarHBondContact O-N 3.29Å; K377-T381 PolarHBondContact O-OG1 3.01Å |
| 378 | E | 60.9 | Low | 70 | Confident | 141 Ų | 141 | 60.5 Ų | 60.5 | 66% | 0.659 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60 | -49.9 | 177.4 | -65.9 | 171.9 | 178.7 | 0 | 0 | 111.7 | P376 L380 T381 I382 | P376-E378 PolarHBondContact O-N 3.38Å; E378-L380 PolarHBondContact O-N 2.94Å; E378-T381 CarbonylContact O-C 3.52Å; E378-T381 WeakPolarHBondContact O-CB 3.4Å; E378-T381 PolarHBondContact O-N 3.37Å; E378-I382 VanDerWaalsContact O-CG1 3.3Å; E378-I382 WeakPolarHBondContact O-CG1 3.44Å; E378-I382 PolarHBondContact O-N 3.22Å |
| 379 | N | 65.6 | Low | 70.1 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -36.1 | -179.4 | -64.6 | 63.1 | 0 | 0 | 0 | 112.7 | E101 P376 L383 | E101-N379 PolarHBondContact OE2-ND2 2.82Å; P376-N379 PolarHBondContact O-N 2.79Å; P376-N379 VanDerWaalsContact O-N 3.13Å; N379-L383 WeakPolarHBondContact O-CB 3.38Å; N379-L383 PolarHBondContact O-N 2.97Å |
| 380 | L | 69.8 | Low | 70.2 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 170.7 | 178.4 | 67.1 | 0 | 0 | 0 | 111.1 | D324 V327 E378 L383 K384 | D324-L380 HydrophobicContact CB-CD2 4.24Å; D324-L380 WeakPolarHBondContact O-CD2 3.39Å; V327-L380 HydrophobicContact CG2-CD1 4.14Å; E378-L380 PolarHBondContact O-N 2.94Å; L380-L383 PolarHBondContact O-N 3.25Å; L380-K384 HydrophobicContact CD1-CG 4.41Å; L380-K384 HydrophobicContact CG-CD 4.42Å; L380-K384 HydrophobicContact CG-CG 4.5Å; L380-K384 WeakPolarHBondContact O-CB 3.34Å; L380-K384 WeakPolarHBondContact O-CG 3.33Å; L380-K384 PolarHBondContact O-N 3.36Å |
| 381 | T | 73.1 | Confident | 70.4 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 179.4 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | K377 E378 K384 E385 | K377-T381 WeakPolarHBondContact O-CB 3.33Å; K377-T381 PolarHBondContact O-N 3.29Å; K377-T381 PolarHBondContact O-OG1 3.01Å; E378-T381 CarbonylContact O-C 3.52Å; E378-T381 WeakPolarHBondContact O-CB 3.4Å; E378-T381 PolarHBondContact O-N 3.37Å; T381-K384 PolarHBondContact O-N 2.86Å; T381-E385 PolarHBondContact O-N 3Å |
| 382 | I | 75.3 | Confident | 70.7 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 173.4 | -65.3 | 163.1 | 0 | 0 | 0 | 110.1 | L105 E378 K384 E385 S386 | L105-I382 HydrophobicContact CD1-CG2 3.72Å; E378-I382 VanDerWaalsContact O-CG1 3.3Å; E378-I382 WeakPolarHBondContact O-CG1 3.44Å; E378-I382 PolarHBondContact O-N 3.22Å; I382-K384 VanDerWaalsContact C-N 3.31Å; I382-K384 PolarHBondContact O-N 3.16Å; I382-E385 PolarHBondContact O-N 3.03Å; I382-S386 WeakPolarHBondContact O-CB 3.37Å; I382-S386 PolarHBondContact O-N 2.7Å; I382-S386 PolarHBondContact O-OG 3.48Å |
| 383 | L | 77.5 | Confident | 71.1 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.7 | -42.9 | 177 | 178.9 | 66 | 0 | 0 | 0 | 111.8 | L105 L168 V327 F343 I345 N379 L380 V387 | L105-L383 HydrophobicContact CD2-CD1 4.06Å; L168-L383 HydrophobicContact CD1-CD1 4.01Å; V327-L383 HydrophobicContact CB-CD2 4.24Å; V327-L383 HydrophobicContact CB-CG 4.24Å; V327-L383 HydrophobicContact CG2-CB 4.38Å; V327-L383 HydrophobicContact CG2-CD2 3.71Å; V327-L383 HydrophobicContact CG2-CG 3.71Å; F343-L383 HydrophobicContact CB-CD1 4.5Å; I345-L383 HydrophobicContact CD1-CB 4.04Å; I345-L383 HydrophobicContact CD1-CD1 4.19Å; I345-L383 HydrophobicContact CD1-CD2 3.89Å; I345-L383 HydrophobicContact CD1-CG 4.25Å; I345-L383 HydrophobicContact CG1-CD1 4.39Å; I345-L383 HydrophobicContact CG1-CD2 4.05Å; N379-L383 WeakPolarHBondContact O-CB 3.38Å; N379-L383 PolarHBondContact O-N 2.97Å; L380-L383 PolarHBondContact O-N 3.25Å; L383-V387 HydrophobicContact CD1-CG2 3.81Å; L383-V387 HydrophobicContact CG-CG2 4.31Å; L383-V387 VanDerWaalsContact O-CB 3.28Å; L383-V387 WeakPolarHBondContact O-CB 3.42Å; L383-V387 WeakPolarHBondContact O-CG2 3.4Å; L383-V387 PolarHBondContact O-N 3.34Å |
| 384 | K | 79.5 | Confident | 71.5 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -50.9 | 176.9 | -80.3 | -172.2 | 168.5 | -149.2 | 0 | 111.8 | V327 L380 T381 I382 V387 K388 Y399 D401 | V327-K384 HydrophobicContact CG2-CB 4.39Å; V327-K384 HydrophobicContact CG2-CG 3.48Å; V327-K384 VanDerWaalsContact CG2-CG 3.48Å; L380-K384 HydrophobicContact CD1-CG 4.41Å; L380-K384 HydrophobicContact CG-CD 4.42Å; L380-K384 HydrophobicContact CG-CG 4.5Å; L380-K384 WeakPolarHBondContact O-CB 3.34Å; L380-K384 WeakPolarHBondContact O-CG 3.33Å; L380-K384 PolarHBondContact O-N 3.36Å; T381-K384 PolarHBondContact O-N 2.86Å; I382-K384 VanDerWaalsContact C-N 3.31Å; I382-K384 PolarHBondContact O-N 3.16Å; K384-V387 PolarHBondContact O-N 3.5Å; K384-K388 WeakPolarHBondContact O-CB 3.33Å; K384-K388 PolarHBondContact O-N 3.33Å; K384-Y399 HydrophobicContact CB-CE2 4.39Å; K384-Y399 VanDerWaalsContact CD-OH 3.3Å; K384-Y399 WeakPolarHBondContact CD-OH 3.18Å; K384-Y399 HydrophobicContact CG-CE2 4.48Å; K384-Y399 VanDerWaalsContact CG-OH 3.32Å; K384-Y399 WeakPolarHBondContact CG-OH 3.18Å; K384-D401 IonicContact NZ-OD1 3.13Å; K384-D401 PolarHBondContact NZ-OD1 3.1Å |
| 385 | E | 80.5 | Confident | 72.2 | Confident | 101 Ų | 101 | 66.3 Ų | 66.3 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.7 | -40.1 | -177.4 | -160.5 | 65.4 | -170.8 | 0 | 0 | 111.9 | T381 I382 K388 Q389 | T381-E385 PolarHBondContact O-N 3Å; I382-E385 PolarHBondContact O-N 3.03Å; E385-K388 PolarHBondContact O-N 3.25Å; E385-K388 IonicContact OE1-NZ 3.7Å; E385-K388 PolarHBondContact OE1-NZ 2.91Å; E385-K388 IonicContact OE2-NZ 3.4Å; E385-K388 PolarHBondContact OE2-NZ 2.92Å; E385-Q389 VanDerWaalsContact O-CB 3.27Å; E385-Q389 WeakPolarHBondContact O-CB 3.23Å; E385-Q389 PolarHBondContact O-N 3.14Å |
| 386 | S | 81.9 | Confident | 72.7 | Confident | 7 Ų | 7 | 66 Ų | 66 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 172.2 | -75.1 | 0 | 0 | 0 | 0 | 112.4 | D106 I382 F390 | D106-S386 WeakPolarHBondContact OD1-CB 3.43Å; D106-S386 PolarHBondContact OD1-OG 2.74Å; I382-S386 WeakPolarHBondContact O-CB 3.37Å; I382-S386 PolarHBondContact O-N 2.7Å; I382-S386 PolarHBondContact O-OG 3.48Å; S386-F390 WeakPolarHBondContact O-CB 3.5Å; S386-F390 PolarHBondContact O-N 3.07Å |
| 387 | V | 81 | Confident | 73.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.4 | -36.4 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | I109 V327 I329 F343 L383 K384 F390 C391 Y399 | I109-V387 HydrophobicContact CD1-CG2 3.61Å; I109-V387 HydrophobicContact CG1-CG2 4.39Å; V327-V387 HydrophobicContact CG1-CB 3.96Å; V327-V387 HydrophobicContact CG1-CG1 3.76Å; V327-V387 HydrophobicContact CG1-CG2 4.33Å; I329-V387 HydrophobicContact CG2-CG1 3.23Å; F343-V387 HydrophobicContact CB-CG2 4.45Å; F343-V387 HydrophobicContact CD2-CG1 4.11Å; F343-V387 HydrophobicContact CD2-CG2 3.78Å; F343-V387 HydrophobicContact CE2-CG2 4.37Å; F343-V387 HydrophobicContact CG-CG2 4.32Å; L383-V387 HydrophobicContact CD1-CG2 3.81Å; L383-V387 HydrophobicContact CG-CG2 4.31Å; L383-V387 VanDerWaalsContact O-CB 3.28Å; L383-V387 WeakPolarHBondContact O-CB 3.42Å; L383-V387 WeakPolarHBondContact O-CG2 3.4Å; L383-V387 PolarHBondContact O-N 3.34Å; K384-V387 PolarHBondContact O-N 3.5Å; V387-F390 WeakPolarHBondContact O-CB 3.46Å; V387-F390 PolarHBondContact O-N 3.01Å; V387-C391 PolarHBondContact O-N 3.08Å; V387-C391 PolarHBondContact O-SG 2.78Å; V387-Y399 HydrophobicContact CG1-CD2 4.27Å |
| 388 | K | 82 | Confident | 74 | Confident | 70 Ų | 70 | 58.5 Ų | 58.5 | 30% | 0.304 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.3 | -53.3 | 175.4 | 175.8 | 178.1 | 148 | -129.7 | 0 | 111.8 | K384 E385 F390 C391 D392 Y399 | K384-K388 WeakPolarHBondContact O-CB 3.33Å; K384-K388 PolarHBondContact O-N 3.33Å; E385-K388 PolarHBondContact O-N 3.25Å; E385-K388 IonicContact OE1-NZ 3.7Å; E385-K388 PolarHBondContact OE1-NZ 2.91Å; E385-K388 IonicContact OE2-NZ 3.4Å; E385-K388 PolarHBondContact OE2-NZ 2.92Å; K388-F390 PolarHBondContact O-N 2.96Å; K388-C391 PolarHBondContact O-N 3Å; K388-D392 PolarHBondContact O-N 3.48Å; K388-Y399 HydrophobicContact CB-CD1 4.44Å; K388-Y399 HydrophobicContact CB-CD2 3.65Å; K388-Y399 HydrophobicContact CB-CE2 4.03Å; K388-Y399 HydrophobicContact CB-CG 3.89Å; K388-Y399 HydrophobicContact CG-CD1 4.42Å; K388-Y399 HydrophobicContact CG-CD2 4.43Å; K388-Y399 HydrophobicContact CG-CG 4.19Å |
| 389 | Q | 81.2 | Confident | 74.4 | Confident | 125 Ų | 125 | 53.7 Ų | 53.7 | 58% | 0.584 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -56 | -36.7 | 174.2 | -178.6 | -179.7 | -7.5 | 0 | 0 | 111.5 | E385 S393 | E385-Q389 VanDerWaalsContact O-CB 3.27Å; E385-Q389 WeakPolarHBondContact O-CB 3.23Å; E385-Q389 PolarHBondContact O-N 3.14Å; Q389-S393 PolarHBondContact O-N 3.35Å |
| 390 | F | 81.9 | Confident | 74.4 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.3 | -46.6 | 173.6 | 177.2 | -101.3 | 0 | 0 | 0 | 112.9 | I109 Q110 W113 S386 V387 K388 D392 S393 V394 L397 | I109-F390 HydrophobicContact CG2-CB 3.96Å; I109-F390 HydrophobicContact CG2-CD1 3.45Å; I109-F390 VanDerWaalsContact CG2-CD1 3.45Å; I109-F390 HydrophobicContact CG2-CD2 3.72Å; I109-F390 HydrophobicContact CG2-CE1 3.83Å; I109-F390 HydrophobicContact CG2-CE2 4.08Å; I109-F390 HydrophobicContact CG2-CG 3.39Å; I109-F390 HydrophobicContact CG2-CZ 4.14Å; Q110-F390 HydrophobicContact CG-CD2 4.16Å; Q110-F390 HydrophobicContact CG-CE2 4.22Å; W113-F390 HydrophobicContact CB-CE1 4.39Å; W113-F390 HydrophobicContact CB-CE2 4.23Å; W113-F390 HydrophobicContact CB-CZ 3.55Å; W113-F390 AromaticContact CD1-CZ 3.79Å; W113-F390 HydrophobicContact CD2-CE1 4.24Å; W113-F390 AromaticContact CD2-CZ 3.87Å; W113-F390 HydrophobicContact CD2-CZ 3.87Å; W113-F390 HydrophobicContact CE3-CE1 4.4Å; W113-F390 HydrophobicContact CE3-CZ 4.44Å; W113-F390 HydrophobicContact CG-CE1 4.25Å; W113-F390 HydrophobicContact CG-CE2 4.36Å; W113-F390 AromaticContact CG-CZ 3.45Å; W113-F390 HydrophobicContact CG-CZ 3.45Å; W113-F390 VanDerWaalsContact CG-CZ 3.45Å; S386-F390 WeakPolarHBondContact O-CB 3.5Å; S386-F390 PolarHBondContact O-N 3.07Å; V387-F390 WeakPolarHBondContact O-CB 3.46Å; V387-F390 PolarHBondContact O-N 3.01Å; K388-F390 PolarHBondContact O-N 2.96Å; F390-D392 PolarHBondContact O-N 2.73Å; F390-S393 PolarHBondContact O-N 3.36Å; F390-S393 VanDerWaalsContact O-N 3.11Å; F390-S393 PolarHBondContact O-OG 3.12Å; F390-V394 HydrophobicContact CD2-CG2 4.33Å; F390-V394 HydrophobicContact CE1-CG2 4.28Å; F390-V394 HydrophobicContact CE2-CG2 3.75Å; F390-V394 HydrophobicContact CZ-CG2 3.7Å; F390-V394 PolarHBondContact O-N 3.3Å; F390-L397 HydrophobicContact CD1-CD1 4.06Å; F390-L397 HydrophobicContact CE1-CD1 3.49Å; F390-L397 VanDerWaalsContact CE1-CD1 3.49Å; F390-L397 HydrophobicContact CZ-CD1 4.35Å |
| 391 | C | 79 | Confident | 73.9 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -46.2 | 175.3 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | V387 K388 S393 V394 L397 | V387-C391 PolarHBondContact O-N 3.08Å; V387-C391 PolarHBondContact O-SG 2.78Å; K388-C391 PolarHBondContact O-N 3Å; C391-S393 PolarHBondContact O-N 2.95Å; C391-S393 VanDerWaalsContact O-N 3.1Å; C391-V394 PolarHBondContact O-N 2.87Å; C391-L397 HydrophobicContact CB-CB 4.02Å |
| 392 | D | 78.7 | Confident | 72.7 | Confident | 130 Ų | 130 | 60.1 Ų | 60.1 | 70% | 0.695 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -57.7 | -26.2 | 177 | -67.5 | -22.9 | 0 | 0 | 0 | 112.5 | K388 F390 | K388-D392 PolarHBondContact O-N 3.48Å; F390-D392 PolarHBondContact O-N 2.73Å |
| 393 | S | 75.4 | Confident | 71.4 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 60% | 0.601 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -87.7 | -14.9 | 177.5 | 79.2 | 0 | 0 | 0 | 0 | 114.9 | Q389 F390 C391 | Q389-S393 PolarHBondContact O-N 3.35Å; F390-S393 PolarHBondContact O-N 3.36Å; F390-S393 VanDerWaalsContact O-N 3.11Å; F390-S393 PolarHBondContact O-OG 3.12Å; C391-S393 PolarHBondContact O-N 2.95Å; C391-S393 VanDerWaalsContact O-N 3.1Å |
| 394 | V | 69.2 | Low | 69.7 | Low | 20 Ų | 20 | 71.2 Ų | 71.2 | 12% | 0.121 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -121.1 | 102.8 | -171.2 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | W113 F390 C391 G396 L397 | W113-V394 HydrophobicContact CZ2-CG1 3.9Å; F390-V394 HydrophobicContact CD2-CG2 4.33Å; F390-V394 HydrophobicContact CE1-CG2 4.28Å; F390-V394 HydrophobicContact CE2-CG2 3.75Å; F390-V394 HydrophobicContact CZ-CG2 3.7Å; F390-V394 PolarHBondContact O-N 3.3Å; C391-V394 PolarHBondContact O-N 2.87Å; V394-G396 PolarHBondContact O-N 3.44Å; V394-L397 HydrophobicContact CB-CD1 4.04Å; V394-L397 HydrophobicContact CB-CG 4.44Å; V394-L397 HydrophobicContact CG1-CD1 3.9Å; V394-L397 HydrophobicContact CG1-CG 4.07Å; V394-L397 PolarHBondContact O-N 2.9Å |
| 395 | H | 63 | Low | 67.6 | Low | 171 Ų | 171 | 73.8 Ų | 73.8 | 79% | 0.792 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 124.6 | 178.3 | -174.1 | -68.4 | 0 | 0 | 0 | 112.4 | R333 | R333-H395 PolarHBondContact NE-O 3.38Å; R333-H395 PolarHBondContact NH2-O 3.01Å |
| 396 | G | 61.5 | Low | 65.4 | Low | 16 Ų | 16 | 72.6 Ų | 72.6 | 17% | 0.165 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 9.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | H332 R333 V394 | H332-G396 PolarHBondContact N-O 2.83Å; R333-G396 PolarHBondContact N-O 3.01Å; V394-G396 PolarHBondContact O-N 3.44Å |
| 397 | L | 70.7 | Confident | 63.1 | Low | 19 Ų | 19 | 78 Ų | 78 | 10% | 0.099 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 145.1 | 159.7 | -71.2 | -178.6 | 0 | 0 | 0 | 110.7 | W113 I329 R330 L331 F390 C391 V394 | W113-L397 HydrophobicContact CE3-CD1 4.47Å; W113-L397 HydrophobicContact CH2-CD1 3.96Å; W113-L397 HydrophobicContact CH2-CD2 3.78Å; W113-L397 HydrophobicContact CH2-CG 4.07Å; W113-L397 HydrophobicContact CZ2-CD1 4.13Å; W113-L397 HydrophobicContact CZ2-CG 4.33Å; W113-L397 HydrophobicContact CZ3-CD1 4.13Å; W113-L397 HydrophobicContact CZ3-CD2 4.18Å; I329-L397 HydrophobicContact CD1-CD1 4.41Å; I329-L397 HydrophobicContact CD1-CD2 4.07Å; R330-L397 CarbonylContact O-C 3.58Å; R330-L397 WeakPolarHBondContact O-CA 3.35Å; L331-L397 HydrophobicContact CB-CD2 4.23Å; L331-L397 HydrophobicContact CD1-CD2 3.83Å; F390-L397 HydrophobicContact CD1-CD1 4.06Å; F390-L397 HydrophobicContact CE1-CD1 3.49Å; F390-L397 VanDerWaalsContact CE1-CD1 3.49Å; F390-L397 HydrophobicContact CZ-CD1 4.35Å; C391-L397 HydrophobicContact CB-CB 4.02Å; V394-L397 HydrophobicContact CB-CD1 4.04Å; V394-L397 HydrophobicContact CB-CG 4.44Å; V394-L397 HydrophobicContact CG1-CD1 3.9Å; V394-L397 HydrophobicContact CG1-CG 4.07Å; V394-L397 PolarHBondContact O-N 2.9Å |
| 398 | E | 67.4 | Low | 60.7 | Low | 75 Ų | 75 | 82.6 Ų | 82.6 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131 | 170.5 | -179.4 | -171.3 | 107.2 | 0 | 0 | 108.4 | R330 H332 | R330-E398 HydrophobicContact CB-CB 4.1Å; R330-E398 VanDerWaalsContact CD-OE1 3.23Å; R330-E398 WeakPolarHBondContact CD-OE1 3.48Å; R330-E398 IonicContact CZ-OE1 3.59Å; R330-E398 PolarHBondContact N-O 2.96Å; R330-E398 IonicContact NE-OE1 2.78Å; R330-E398 IonicContact NH1-OE1 2.69Å; R330-E398 PolarHBondContact NH1-OE1 3.4Å; R330-E398 PolarHBondContact O-N 2.87Å; H332-E398 IonicContact CE1-OE2 3.76Å; H332-E398 PolarHBondContact CE1-OE2 3.27Å; H332-E398 WeakPolarHBondContact NE2-CB 3.47Å; H332-E398 IonicContact NE2-OE1 3.44Å; H332-E398 IonicContact NE2-OE2 2.73Å; H332-E398 PolarHBondContact NE2-OE2 3.28Å |
| 399 | Y | 68.8 | Low | 58.6 | Low | 40 Ų | 40 | 82.1 Ų | 82.1 | 16% | 0.157 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 138.3 | 173.3 | 169.9 | -84.4 | 0 | 0 | 0 | 109.8 | V327 K384 V387 K388 D401 | V327-Y399 HydrophobicContact CG1-CD2 4.17Å; V327-Y399 HydrophobicContact CG1-CE2 3.6Å; K384-Y399 HydrophobicContact CB-CE2 4.39Å; K384-Y399 VanDerWaalsContact CD-OH 3.3Å; K384-Y399 WeakPolarHBondContact CD-OH 3.18Å; K384-Y399 HydrophobicContact CG-CE2 4.48Å; K384-Y399 VanDerWaalsContact CG-OH 3.32Å; K384-Y399 WeakPolarHBondContact CG-OH 3.18Å; V387-Y399 HydrophobicContact CG1-CD2 4.27Å; K388-Y399 HydrophobicContact CB-CD1 4.44Å; K388-Y399 HydrophobicContact CB-CD2 3.65Å; K388-Y399 HydrophobicContact CB-CE2 4.03Å; K388-Y399 HydrophobicContact CB-CG 3.89Å; K388-Y399 HydrophobicContact CG-CD1 4.42Å; K388-Y399 HydrophobicContact CG-CD2 4.43Å; K388-Y399 HydrophobicContact CG-CG 4.19Å; Y399-D401 HydrophobicContact CE1-CB 4.32Å; Y399-D401 WeakPolarHBondContact CE1-OD2 3.38Å; Y399-D401 PolarHBondContact OH-OD1 2.92Å |
| 400 | F | 66 | Low | 56.4 | Low | 44 Ų | 44 | 79.7 Ų | 79.7 | 19% | 0.193 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 127.9 | -176.6 | -156.5 | -98.9 | 0 | 0 | 0 | 114.3 | Y328 R330 D402 F404 | Y328-F400 PolarHBondContact O-N 3.4Å; R330-F400 HydrophobicContact CG-CB 4.49Å; F400-D402 WeakPolarHBondContact CD1-O 3.33Å; F400-D402 HydrophobicContact CE1-CB 3.57Å; F400-D402 WeakPolarHBondContact CE1-O 3.38Å; F400-D402 HydrophobicContact CZ-CB 3.83Å; F400-F404 AromaticContact CE1-CD2 3.55Å; F400-F404 HydrophobicContact CE1-CD2 3.55Å; F400-F404 AromaticContact CE1-CE2 3.95Å; F400-F404 HydrophobicContact CE1-CE2 3.95Å; F400-F404 HydrophobicContact CE2-CE2 4.26Å; F400-F404 AromaticContact CZ-CD2 3.62Å; F400-F404 HydrophobicContact CZ-CD2 3.62Å; F400-F404 AromaticContact CZ-CE2 3.49Å; F400-F404 HydrophobicContact CZ-CE2 3.49Å; F400-F404 VanDerWaalsContact CZ-CE2 3.49Å |
| 401 | D | 57.9 | Low | 54.5 | Low | 96 Ų | 96 | 82.8 Ų | 82.8 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | trans | -96.7 | -30.5 | -174.3 | -101.5 | -33.2 | 0 | 0 | 0 | 115.1 | K384 Y399 | K384-D401 IonicContact NZ-OD1 3.13Å; K384-D401 PolarHBondContact NZ-OD1 3.1Å; Y399-D401 HydrophobicContact CE1-CB 4.32Å; Y399-D401 WeakPolarHBondContact CE1-OD2 3.38Å; Y399-D401 PolarHBondContact OH-OD1 2.92Å | ||
| 402 | D | 49.1 | Very low | 52.9 | Low | 126 Ų | 126 | 84.6 Ų | 84.6 | 67% | 0.674 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -91.1 | 167.4 | -170.2 | -72.8 | -51.1 | 0 | 0 | 0 | 114.2 | F400 | F400-D402 WeakPolarHBondContact CD1-O 3.33Å; F400-D402 HydrophobicContact CE1-CB 3.57Å; F400-D402 WeakPolarHBondContact CE1-O 3.38Å; F400-D402 HydrophobicContact CZ-CB 3.83Å |
| 403 | K | 48.2 | Very low | 51.3 | Low | 160 Ų | 160 | 83.3 Ų | 83.3 | 70% | 0.696 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -93 | 122.8 | 171.4 | -61 | -166.9 | 178.4 | -162.6 | 0 | 110.6 | E319 | E319-K403 PolarHBondContact O-NZ 3.11Š|
| 404 | F | 41.3 | Very low | 49.8 | Very low | 126 Ų | 126 | 81.4 Ų | 81.4 | 55% | 0.553 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 165.7 | -176.5 | -120 | -96 | 0 | 0 | 0 | 114.3 | Y318 R330 F400 | Y318-F404 WeakPolarHBondContact CE1-O 3.36Å; R330-F404 VanDerWaalsContact NH2-CD2 3.27Å; R330-F404 VanDerWaalsContact NH2-CE2 3.27Å; F400-F404 AromaticContact CE1-CD2 3.55Å; F400-F404 HydrophobicContact CE1-CD2 3.55Å; F400-F404 AromaticContact CE1-CE2 3.95Å; F400-F404 HydrophobicContact CE1-CE2 3.95Å; F400-F404 HydrophobicContact CE2-CE2 4.26Å; F400-F404 AromaticContact CZ-CD2 3.62Å; F400-F404 HydrophobicContact CZ-CD2 3.62Å; F400-F404 AromaticContact CZ-CE2 3.49Å; F400-F404 HydrophobicContact CZ-CE2 3.49Å; F400-F404 VanDerWaalsContact CZ-CE2 3.49Å |
| 405 | V | 35 | Very low | 48.6 | Very low | 119 Ų | 119 | 82.5 Ų | 82.5 | 72% | 0.721 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -101.1 | 142.6 | 179.3 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | Y318 | Y318-V405 WeakPolarHBondContact OH-CA 3.19Š|
| 406 | C | 34.4 | Very low | 48 | Very low | 76 Ų | 76 | 76.2 Ų | 76.2 | 51% | 0.514 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 143 | -173 | -170.4 | 0 | 0 | 0 | 0 | 114.7 | Y318 | Y318-C406 HydrophobicContact CE2-CB 4.02Å; Y318-C406 PolarHBondContact OH-N 2.56Å |
| 407 | L | 33.3 | Very low | 47.4 | Very low | 119 Ų | 119 | 77.7 Ų | 77.7 | 62% | 0.623 | 43% | 0.432 | S | S | * | . | trans | -104.3 | 131 | 164.9 | -74.7 | 167.6 | 0 | 0 | 0 | 109.7 | ||||
| 408 | A | 30.4 | Very low | 46.2 | Very low | 98 Ų | 98 | 83 Ų | 83 | 81% | 0.81 | 45% | 0.454 | S | S | * | . | trans | -76.4 | 130.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 409 | I | 37.9 | Very low | 45.2 | Very low | 59 Ų | 59 | 82.4 Ų | 82.4 | 30% | 0.303 | 45% | 0.452 | S | S | . | . | trans | -104.4 | 128.2 | -172.8 | -58.9 | 155.1 | 0 | 0 | 0 | 109.7 | N292 P294 | N292-I409 HydrophobicContact CB-CD1 3.7Å; N292-I409 HydrophobicContact CB-CG1 4.02Å; N292-I409 HydrophobicContact CB-CG2 4.39Å; N292-I409 VanDerWaalsContact O-CG2 3.22Å; N292-I409 WeakPolarHBondContact O-CG2 3.3Å; P294-I409 HydrophobicContact CG-CG2 4.1Å | ||
| 410 | P | 34.7 | Very low | 44.1 | Very low | 74 Ų | 74 | 83.3 Ų | 83.3 | 48% | 0.481 | 46% | 0.464 | S | S | . | . | trans | -78.4 | 137.2 | 172.6 | 31.9 | -32.8 | 0 | 0 | 0 | 111.2 | K291 | K291-P410 HydrophobicContact CD-CG 3.93Š| ||
| 411 | T | 42.6 | Very low | 43.1 | Very low | 81 Ų | 81 | 83.8 Ų | 83.8 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | trans | -74.4 | 139.4 | -176.7 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | E311 F413 S414 | E311-T411 WeakPolarHBondContact OE1-CA 2.96Å; E311-T411 WeakPolarHBondContact OE1-CB 3.2Å; E311-T411 WeakPolarHBondContact OE1-CG2 3.41Å; T411-F413 VanDerWaalsContact C-N 3.3Å; T411-F413 PolarHBondContact O-N 3.37Å; T411-S414 VanDerWaalsContact O-CB 3.23Å; T411-S414 WeakPolarHBondContact O-CB 3.29Å; T411-S414 PolarHBondContact O-N 2.91Å; T411-S414 VanDerWaalsContact O-N 3.09Å | ||
| 412 | L | 45.8 | Very low | 42.4 | Very low | 41 Ų | 41 | 87.4 Ų | 87.4 | 22% | 0.215 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -66.1 | -33.6 | 179.7 | -159.3 | 87.2 | 0 | 0 | 0 | 111.3 | P294 E311 S414 A415 I416 | P294-L412 HydrophobicContact CB-CB 4.13Å; P294-L412 HydrophobicContact CG-CB 4.45Å; P294-L412 WeakPolarHBondContact O-CD2 3.38Å; E311-L412 VanDerWaalsContact CD-N 3.35Å; E311-L412 HydrophobicContact CG-CB 4.44Å; E311-L412 PolarHBondContact OE1-N 2.89Å; E311-L412 PolarHBondContact OE2-N 3.41Å; L412-S414 PolarHBondContact O-N 2.87Å; L412-S414 VanDerWaalsContact O-N 3.15Å; L412-A415 WeakPolarHBondContact O-CA 3.46Å; L412-A415 WeakPolarHBondContact O-CB 3.21Å; L412-A415 PolarHBondContact O-N 3.4Å; L412-I416 HydrophobicContact CD2-CD1 3.74Å; L412-I416 HydrophobicContact CD2-CG1 4.4Å; L412-I416 HydrophobicContact CG-CD1 4.23Å; L412-I416 HydrophobicContact CG-CG1 4.44Å; L412-I416 PolarHBondContact O-N 3.41Å |
| 413 | F | 43.8 | Very low | 42 | Very low | 103 Ų | 103 | 83.5 Ų | 83.5 | 45% | 0.452 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -54.5 | -32.2 | 172.2 | -170.5 | -96.4 | 0 | 0 | 0 | 112.5 | I179 E311 T411 S417 | I179-F413 HydrophobicContact CB-CD2 4.4Å; I179-F413 HydrophobicContact CG2-CD2 4.47Å; E311-F413 VanDerWaalsContact OE2-CB 3.28Å; E311-F413 WeakPolarHBondContact OE2-CB 3.35Å; E311-F413 PolarHBondContact OE2-N 3.2Å; T411-F413 VanDerWaalsContact C-N 3.3Å; T411-F413 PolarHBondContact O-N 3.37Å; F413-S417 WeakPolarHBondContact CE1-OG 3.44Å; F413-S417 WeakPolarHBondContact O-CB 3.48Å; F413-S417 PolarHBondContact O-N 3.49Å; F413-S417 PolarHBondContact O-OG 3.43Å |
| 414 | S | 45.6 | Very low | 41.7 | Very low | 46 Ų | 46 | 80.6 Ų | 80.6 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 173.8 | -160 | 0 | 0 | 0 | 0 | 112.2 | T411 L412 K418 | T411-S414 VanDerWaalsContact O-CB 3.23Å; T411-S414 WeakPolarHBondContact O-CB 3.29Å; T411-S414 PolarHBondContact O-N 2.91Å; T411-S414 VanDerWaalsContact O-N 3.09Å; L412-S414 PolarHBondContact O-N 2.87Å; L412-S414 VanDerWaalsContact O-N 3.15Å; S414-K418 WeakPolarHBondContact O-CB 3.33Å; S414-K418 VanDerWaalsContact O-CD 3.23Å; S414-K418 WeakPolarHBondContact O-CD 3.16Å; S414-K418 WeakPolarHBondContact O-CG 3.46Å; S414-K418 PolarHBondContact O-N 3.2Å; S414-K418 VanDerWaalsContact O-N 3.16Å; S414-K418 PolarHBondContact OG-NZ 2.87Å |
| 415 | A | 43.4 | Very low | 41.6 | Very low | 43 Ų | 43 | 76.9 Ų | 76.9 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -71.2 | -50.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L412 S417 K418 I419 | L412-A415 WeakPolarHBondContact O-CA 3.46Å; L412-A415 WeakPolarHBondContact O-CB 3.21Å; L412-A415 PolarHBondContact O-N 3.4Å; A415-S417 VanDerWaalsContact C-N 3.34Å; A415-S417 PolarHBondContact O-N 3.49Å; A415-K418 PolarHBondContact O-N 2.81Å; A415-K418 VanDerWaalsContact O-N 3.12Å; A415-I419 WeakPolarHBondContact O-CG1 3.28Å; A415-I419 PolarHBondContact O-N 2.76Å |
| 416 | I | 49.8 | Very low | 41.9 | Very low | 39 Ų | 39 | 76.9 Ų | 76.9 | 20% | 0.2 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 178.5 | -65 | 175 | 0 | 0 | 0 | 110.6 | L412 K418 I419 S420 | L412-I416 HydrophobicContact CD2-CD1 3.74Å; L412-I416 HydrophobicContact CD2-CG1 4.4Å; L412-I416 HydrophobicContact CG-CD1 4.23Å; L412-I416 HydrophobicContact CG-CG1 4.44Å; L412-I416 PolarHBondContact O-N 3.41Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 2.73Å; I416-I419 PolarHBondContact O-N 2.77Å; I416-S420 WeakPolarHBondContact O-CB 3.45Å; I416-S420 PolarHBondContact O-N 3.44Å |
| 417 | S | 49.7 | Very low | 42.2 | Very low | 48 Ų | 48 | 78.7 Ų | 78.7 | 34% | 0.336 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.2 | -63 | 0 | 0 | 0 | 0 | 112.4 | F413 A415 A421 | F413-S417 WeakPolarHBondContact CE1-OG 3.44Å; F413-S417 WeakPolarHBondContact O-CB 3.48Å; F413-S417 PolarHBondContact O-N 3.49Å; F413-S417 PolarHBondContact O-OG 3.43Å; A415-S417 VanDerWaalsContact C-N 3.34Å; A415-S417 PolarHBondContact O-N 3.49Å; S417-A421 WeakPolarHBondContact O-CB 3.47Å; S417-A421 PolarHBondContact O-N 2.94Å |
| 418 | K | 45.4 | Very low | 42.5 | Very low | 130 Ų | 130 | 79.9 Ų | 79.9 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -69.2 | -38.4 | 176.4 | -76.1 | 164.6 | -175.2 | 150.1 | 0 | 112.7 | S414 A415 I416 R422 | S414-K418 WeakPolarHBondContact O-CB 3.33Å; S414-K418 VanDerWaalsContact O-CD 3.23Å; S414-K418 WeakPolarHBondContact O-CD 3.16Å; S414-K418 WeakPolarHBondContact O-CG 3.46Å; S414-K418 PolarHBondContact O-N 3.2Å; S414-K418 VanDerWaalsContact O-N 3.16Å; S414-K418 PolarHBondContact OG-NZ 2.87Å; A415-K418 PolarHBondContact O-N 2.81Å; A415-K418 VanDerWaalsContact O-N 3.12Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 2.73Å; K418-R422 WeakPolarHBondContact O-CB 3.39Å; K418-R422 WeakPolarHBondContact O-CG 3.45Å; K418-R422 PolarHBondContact O-N 2.78Å |
| 419 | I | 46.1 | Very low | 42.9 | Very low | 63 Ų | 63 | 80.2 Ų | 80.2 | 32% | 0.323 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.8 | -51.7 | 176.6 | -67.2 | 164.1 | 0 | 0 | 0 | 109.7 | A415 I416 A421 R422 C423 | A415-I419 WeakPolarHBondContact O-CG1 3.28Å; A415-I419 PolarHBondContact O-N 2.76Å; I416-I419 PolarHBondContact O-N 2.77Å; I419-A421 VanDerWaalsContact C-N 3.33Å; I419-A421 PolarHBondContact O-N 2.68Å; I419-R422 WeakPolarHBondContact O-CB 3.48Å; I419-R422 PolarHBondContact O-N 3.48Å; I419-R422 VanDerWaalsContact O-N 3.09Å; I419-C423 PolarHBondContact O-N 2.63Å; I419-C423 PolarHBondContact O-SG 3.34Å; I419-C423 VanDerWaalsContact O-SG 3.33Å |
| 420 | S | 45.9 | Very low | 42.8 | Very low | 58 Ų | 58 | 80.7 Ų | 80.7 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 177 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | I416 R422 C423 L424 | I416-S420 WeakPolarHBondContact O-CB 3.45Å; I416-S420 PolarHBondContact O-N 3.44Å; S420-R422 PolarHBondContact O-N 3.03Å; S420-C423 PolarHBondContact O-N 3.21Å; S420-L424 WeakPolarHBondContact O-CB 3.41Å; S420-L424 VanDerWaalsContact O-CG 3.31Å; S420-L424 WeakPolarHBondContact O-CG 3.49Å; S420-L424 PolarHBondContact O-N 2.95Å |
| 421 | A | 45.1 | Very low | 42.8 | Very low | 54 Ų | 54 | 85.2 Ų | 85.2 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | S417 I419 S425 | S417-A421 WeakPolarHBondContact O-CB 3.47Å; S417-A421 PolarHBondContact O-N 2.94Å; I419-A421 VanDerWaalsContact C-N 3.33Å; I419-A421 PolarHBondContact O-N 2.68Å; A421-S425 VanDerWaalsContact O-CB 3.22Å; A421-S425 WeakPolarHBondContact O-CB 3.34Å; A421-S425 PolarHBondContact O-N 2.85Å; A421-S425 PolarHBondContact O-OG 2.9Å |
| 422 | R | 43.9 | Very low | 42.5 | Very low | 173 Ų | 173 | 90.3 Ų | 90.3 | 65% | 0.653 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.3 | -55.3 | 173.2 | -82.3 | 179.1 | 176.8 | -178 | -2.6 | 111.1 | K418 I419 S420 L424 S425 E426 | K418-R422 WeakPolarHBondContact O-CB 3.39Å; K418-R422 WeakPolarHBondContact O-CG 3.45Å; K418-R422 PolarHBondContact O-N 2.78Å; I419-R422 WeakPolarHBondContact O-CB 3.48Å; I419-R422 PolarHBondContact O-N 3.48Å; I419-R422 VanDerWaalsContact O-N 3.09Å; S420-R422 PolarHBondContact O-N 3.03Å; R422-L424 PolarHBondContact O-N 3.28Å; R422-S425 WeakPolarHBondContact CA-OG 3.32Å; R422-S425 WeakPolarHBondContact O-CA 3.38Å; R422-S425 PolarHBondContact O-N 2.98Å; R422-S425 PolarHBondContact O-OG 3.4Å; R422-E426 WeakPolarHBondContact O-CG 3.22Å; R422-E426 PolarHBondContact O-N 2.82Å |
| 423 | C | 39.8 | Very low | 41.9 | Very low | 44 Ų | 44 | 92.7 Ų | 92.7 | 30% | 0.297 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.6 | -35.7 | 179 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | I419 S420 N427 | I419-C423 PolarHBondContact O-N 2.63Å; I419-C423 PolarHBondContact O-SG 3.34Å; I419-C423 VanDerWaalsContact O-SG 3.33Å; S420-C423 PolarHBondContact O-N 3.21Å; C423-N427 PolarHBondContact O-N 3.01Å; C423-N427 PolarHBondContact O-ND2 2.9Å |
| 424 | L | 40.8 | Very low | 41.3 | Very low | 99 Ų | 99 | 93.3 Ų | 93.3 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.2 | -29.7 | 174 | -73.2 | 169.1 | 0 | 0 | 0 | 113.5 | S420 R422 K428 | S420-L424 WeakPolarHBondContact O-CB 3.41Å; S420-L424 VanDerWaalsContact O-CG 3.31Å; S420-L424 WeakPolarHBondContact O-CG 3.49Å; S420-L424 PolarHBondContact O-N 2.95Å; R422-L424 PolarHBondContact O-N 3.28Å; L424-K428 WeakPolarHBondContact O-CB 3.43Å; L424-K428 WeakPolarHBondContact O-CG 3.45Å; L424-K428 PolarHBondContact O-N 3.2Å |
| 425 | S | 40.9 | Very low | 40.6 | Very low | 47 Ų | 47 | 98 Ų | 98 | 33% | 0.329 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -77.1 | -39.5 | 177 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | A421 R422 K428 N429 | A421-S425 VanDerWaalsContact O-CB 3.22Å; A421-S425 WeakPolarHBondContact O-CB 3.34Å; A421-S425 PolarHBondContact O-N 2.85Å; A421-S425 PolarHBondContact O-OG 2.9Å; R422-S425 WeakPolarHBondContact CA-OG 3.32Å; R422-S425 WeakPolarHBondContact O-CA 3.38Å; R422-S425 PolarHBondContact O-N 2.98Å; R422-S425 PolarHBondContact O-OG 3.4Å; S425-K428 PolarHBondContact O-N 2.96Å; S425-K428 VanDerWaalsContact O-N 3.13Å; S425-N429 VanDerWaalsContact O-CB 3.3Å; S425-N429 WeakPolarHBondContact O-CB 3.17Å; S425-N429 VanDerWaalsContact O-CG 3.22Å; S425-N429 PolarHBondContact O-N 2.94Å; S425-N429 PolarHBondContact O-ND2 3.22Å |
| 426 | E | 40.2 | Very low | 40.1 | Very low | 119 Ų | 119 | 102.8 Ų | 102.8 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.3 | -42.4 | 178.4 | -72.8 | 161 | -169.7 | 0 | 0 | 110.5 | R422 K428 S430 | R422-E426 WeakPolarHBondContact O-CG 3.22Å; R422-E426 PolarHBondContact O-N 2.82Å; E426-K428 VanDerWaalsContact C-N 3.31Å; E426-K428 PolarHBondContact O-N 3.36Å; E426-S430 WeakPolarHBondContact O-CB 3.21Å; E426-S430 PolarHBondContact O-N 3.28Å; E426-S430 VanDerWaalsContact O-N 3.1Å; E426-S430 PolarHBondContact O-OG 3.19Å |
| 427 | N | 41.1 | Very low | 39.3 | Very low | 115 Ų | 115 | 107 Ų | 107 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.8 | -20.9 | 172.6 | -78.4 | -57.7 | 0 | 0 | 0 | 114.7 | C423 S430 | C423-N427 PolarHBondContact O-N 3.01Å; C423-N427 PolarHBondContact O-ND2 2.9Å; N427-S430 PolarHBondContact O-OG 3.04Å |
| 428 | K | 40.1 | Very low | 38.3 | Very low | 143 Ų | 143 | 113.9 Ų | 113.9 | 62% | 0.622 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -92.1 | -31.2 | 175.7 | -78.3 | 177.4 | 178.9 | 175.4 | 0 | 113.4 | L424 S425 E426 | L424-K428 WeakPolarHBondContact O-CB 3.43Å; L424-K428 WeakPolarHBondContact O-CG 3.45Å; L424-K428 PolarHBondContact O-N 3.2Å; S425-K428 PolarHBondContact O-N 2.96Å; S425-K428 VanDerWaalsContact O-N 3.13Å; E426-K428 VanDerWaalsContact C-N 3.31Å; E426-K428 PolarHBondContact O-N 3.36Å |
| 429 | N | 38.8 | Very low | 37.9 | Very low | 105 Ų | 105 | 113 Ų | 113 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -81.5 | -31 | -179.5 | -68.8 | -17.6 | 0 | 0 | 0 | 111.9 | S425 M431 K432 S433 | S425-N429 VanDerWaalsContact O-CB 3.3Å; S425-N429 WeakPolarHBondContact O-CB 3.17Å; S425-N429 VanDerWaalsContact O-CG 3.22Å; S425-N429 PolarHBondContact O-N 2.94Å; S425-N429 PolarHBondContact O-ND2 3.22Å; N429-M431 VanDerWaalsContact C-N 3.29Å; N429-M431 PolarHBondContact O-N 2.89Å; N429-K432 PolarHBondContact O-N 3.14Å; N429-S433 WeakPolarHBondContact O-CB 3.4Å; N429-S433 PolarHBondContact O-N 3.18Å; N429-S433 PolarHBondContact O-OG 2.87Å |
| 430 | S | 36.3 | Very low | 37.1 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 48% | 0.483 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | -33.2 | 170.4 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | E426 N427 | E426-S430 WeakPolarHBondContact O-CB 3.21Å; E426-S430 PolarHBondContact O-N 3.28Å; E426-S430 VanDerWaalsContact O-N 3.1Å; E426-S430 PolarHBondContact O-OG 3.19Å; N427-S430 PolarHBondContact O-OG 3.04Å |
| 431 | M | 32.9 | Very low | 36.3 | Very low | 170 Ų | 170 | 118.4 Ų | 118.4 | 84% | 0.837 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -8.5 | 178.7 | -96.2 | -168.3 | 171 | 0 | 0 | 115.6 | N429 | N429-M431 VanDerWaalsContact C-N 3.29Å; N429-M431 PolarHBondContact O-N 2.89Å |
| 432 | K | 37.4 | Very low | 35.5 | Very low | 188 Ų | 188 | 118.9 Ų | 118.9 | 82% | 0.817 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | -3.4 | -174 | -79.8 | -169 | 171.5 | -172.7 | 0 | 116.5 | N429 | N429-K432 PolarHBondContact O-N 3.14Š|
| 433 | S | 32.9 | Very low | 34.7 | Very low | 91 Ų | 91 | 120 Ų | 120 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | -103.7 | 13.4 | -169.5 | 47.9 | 0 | 0 | 0 | 0 | 115.4 | N429 | N429-S433 WeakPolarHBondContact O-CB 3.4Å; N429-S433 PolarHBondContact O-N 3.18Å; N429-S433 PolarHBondContact O-OG 2.87Å | ||
| 434 | N | 31.6 | Very low | 34.1 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | trans | -97.9 | 34.8 | -176.1 | -98.4 | -66.6 | 0 | 0 | 0 | 114.9 | R475 | N434-R475 PolarHBondContact OD1-NH2 2.65Š| ||
| 435 | L | 30.7 | Very low | 33.5 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -144.5 | 100.7 | 177 | -101.8 | 158.7 | 0 | 0 | 0 | 113.2 | ||
| 436 | N | 32.1 | Very low | 32.9 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 72.3 | 147 | 155.8 | -59 | -20.7 | 0 | 0 | 0 | 121.5 | ||||
| 437 | S | 33.2 | Very low | 32.2 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | trans | 81.8 | 142 | 173.3 | 72.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 438 | H | 30.1 | Very low | 31.4 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -117.4 | 173.6 | -168.4 | -107.4 | -53.7 | 0 | 0 | 0 | 110.8 | ||||
| 439 | P | 35.3 | Very low | 30.8 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -112.3 | 176.3 | -144.8 | 43 | -39 | 0 | 0 | 0 | 115.3 | ||||
| 440 | S | 29.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -157.6 | 151.8 | 151.5 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 441 | S | 28.3 | Very low | 30 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | 45.2 | 102.5 | 165.2 | 57.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 442 | G | 28.7 | Very low | 29.7 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | trans | -177.4 | 105.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F444 | G442-F444 PolarHBondContact O-N 3.44Š| ||
| 443 | E | 27.4 | Very low | 29.3 | Very low | 198 Ų | 198 | 139.1 Ų | 139.1 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 90.3 | -173.3 | -67.7 | -168.9 | 140.2 | 0 | 0 | 112.7 | K445 | E443-K445 PolarHBondContact O-N 2.82Š| ||
| 444 | F | 27.8 | Very low | 29.1 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -76.4 | 110.8 | 162 | -78.3 | -88 | 0 | 0 | 0 | 109.8 | G442 N446 | G442-F444 PolarHBondContact O-N 3.44Å; F444-N446 PolarHBondContact O-N 3.04Å | ||
| 445 | K | 28.8 | Very low | 29 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | trans | -66.9 | 116.2 | 167.1 | -74.7 | 179.5 | 178.5 | 172.9 | 0 | 108.9 | E443 L447 | E443-K445 PolarHBondContact O-N 2.82Å; K445-L447 PolarHBondContact O-N 2.93Å | ||
| 446 | N | 26.6 | Very low | 29 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -59.8 | 126 | 170.7 | -67.2 | -22.9 | 0 | 0 | 0 | 109.7 | F444 | F444-N446 PolarHBondContact O-N 3.04Š| ||
| 447 | L | 25.5 | Very low | 28.9 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | trans | -100.2 | 104.8 | 162.8 | -100.7 | 160.6 | 0 | 0 | 0 | 107.2 | K445 L449 | K445-L447 PolarHBondContact O-N 2.93Å; L447-L449 PolarHBondContact O-N 2.91Å | ||
| 448 | D | 25.8 | Very low | 28.9 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | -66.3 | 97.1 | 175.4 | -89.9 | -45.8 | 0 | 0 | 0 | 110.2 | S450 | D448-S450 PolarHBondContact O-N 2.97Š| ||
| 449 | L | 27.4 | Very low | 29 | Very low | 161 Ų | 161 | 129 Ų | 129 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -77.4 | 64 | 167.2 | -72.9 | 171.3 | 0 | 0 | 0 | 110.1 | L447 | L447-L449 PolarHBondContact O-N 2.91Š| ||
| 450 | S | 29.1 | Very low | 28.8 | Very low | 93 Ų | 93 | 128.8 Ų | 128.8 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -107.1 | 42 | -176.4 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | D448 | D448-S450 PolarHBondContact O-N 2.97Š| ||
| 451 | E | 27.9 | Very low | 29.1 | Very low | 146 Ų | 146 | 128 Ų | 128 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | trans | -157.8 | 55 | 168.3 | -117.1 | 162.7 | -142.1 | 0 | 0 | 111.4 | Y283 | Y283-E451 WeakPolarHBondContact CE1-O 3.41Å; Y283-E451 PolarHBondContact OH-O 3.37Å; Y283-E451 VanDerWaalsContact OH-O 3.1Å | ||
| 452 | S | 27.5 | Very low | 29.4 | Very low | 82 Ų | 82 | 130 Ų | 130 | 57% | 0.573 | 69% | 0.694 | S | S | * | * | trans | -112.5 | 87.6 | 173.1 | 58.9 | 0 | 0 | 0 | 0 | 111 | I454 | S452-I454 PolarHBondContact O-N 2.66Š| ||
| 453 | H | 28.8 | Very low | 29.5 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 82% | 0.819 | 70% | 0.697 | S | S | * | * | trans | -75 | 92.5 | 174.7 | -85.2 | -81.8 | 0 | 0 | 0 | 111.1 | L455 | H453-L455 PolarHBondContact O-N 2.8Š| ||
| 454 | I | 28 | Very low | 29.6 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | trans | -76.1 | 99.8 | 176.5 | -56.9 | 169.8 | 0 | 0 | 0 | 109 | S452 E456 A457 | S452-I454 PolarHBondContact O-N 2.66Å; I454-E456 VanDerWaalsContact C-N 3.34Å; I454-E456 HydrophobicContact CG2-CB 4.49Å; I454-E456 PolarHBondContact O-N 2.96Å; I454-A457 HydrophobicContact CB-CB 4.29Å; I454-A457 HydrophobicContact CG2-CB 3.93Å; I454-A457 PolarHBondContact O-N 2.85Å | ||
| 455 | L | 29.6 | Very low | 29.6 | Very low | 86 Ų | 86 | 122.8 Ų | 122.8 | 45% | 0.45 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -65.4 | -34.8 | 178.7 | -93.5 | 156.8 | 0 | 0 | 0 | 113 | H453 A457 S458 I571 | H453-L455 PolarHBondContact O-N 2.8Å; L455-A457 PolarHBondContact O-N 3.19Å; L455-A457 VanDerWaalsContact O-N 3.09Å; L455-S458 PolarHBondContact O-N 2.68Å; L455-S458 VanDerWaalsContact O-N 3.09Å; L455-I571 HydrophobicContact CD1-CD1 4.43Å; L455-I571 HydrophobicContact CD1-CG1 4.3Å; L455-I571 HydrophobicContact CD1-CG2 3.79Å; L455-I571 HydrophobicContact CD2-CG2 3.98Å |
| 456 | E | 30.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 122.9 Ų | 122.9 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -65.6 | -11.9 | 178.8 | -62 | -176.5 | 154.1 | 0 | 0 | 114 | I454 | I454-E456 VanDerWaalsContact C-N 3.34Å; I454-E456 HydrophobicContact CG2-CB 4.49Å; I454-E456 PolarHBondContact O-N 2.96Å |
| 457 | A | 30.7 | Very low | 29.7 | Very low | 54 Ų | 54 | 121.8 Ų | 121.8 | 45% | 0.446 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -87.1 | -12.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I454 L455 | I454-A457 HydrophobicContact CB-CB 4.29Å; I454-A457 HydrophobicContact CG2-CB 3.93Å; I454-A457 PolarHBondContact O-N 2.85Å; L455-A457 PolarHBondContact O-N 3.19Å; L455-A457 VanDerWaalsContact O-N 3.09Å |
| 458 | S | 33.7 | Very low | 29.9 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 49% | 0.49 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -34.9 | -174 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | L455 L460 S461 | L455-S458 PolarHBondContact O-N 2.68Å; L455-S458 VanDerWaalsContact O-N 3.09Å; S458-L460 VanDerWaalsContact C-N 3.31Å; S458-L460 PolarHBondContact O-N 3.36Å; S458-S461 WeakPolarHBondContact O-CB 3.35Å; S458-S461 PolarHBondContact O-N 2.96Å; S458-S461 PolarHBondContact O-OG 2.8Å |
| 459 | L | 31.4 | Very low | 29.9 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 64% | 0.639 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -62.4 | -35.4 | -179.2 | -76 | 161.6 | 0 | 0 | 0 | 113 | S461 E462 | L459-S461 PolarHBondContact O-N 2.87Å; L459-S461 VanDerWaalsContact O-N 3.09Å; L459-E462 PolarHBondContact O-N 2.93Å; L459-E462 VanDerWaalsContact O-N 3.11Å |
| 460 | L | 32.2 | Very low | 30 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 56% | 0.56 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -68.2 | -4.9 | 174.5 | -67.2 | 172.2 | 0 | 0 | 0 | 113.9 | S458 | S458-L460 VanDerWaalsContact C-N 3.31Å; S458-L460 PolarHBondContact O-N 3.36Å |
| 461 | S | 34.7 | Very low | 29.9 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -89 | -19.8 | 172.8 | -54.9 | 0 | 0 | 0 | 0 | 113 | S458 L459 | S458-S461 WeakPolarHBondContact O-CB 3.35Å; S458-S461 PolarHBondContact O-N 2.96Å; S458-S461 PolarHBondContact O-OG 2.8Å; L459-S461 PolarHBondContact O-N 2.87Å; L459-S461 VanDerWaalsContact O-N 3.09Å |
| 462 | E | 35.4 | Very low | 30 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -24.4 | 179.2 | -61.4 | -166.6 | 128.3 | 0 | 0 | 112.3 | L459 G464 | L459-E462 PolarHBondContact O-N 2.93Å; L459-E462 VanDerWaalsContact O-N 3.11Å; E462-G464 PolarHBondContact O-N 3.45Å |
| 463 | E | 31.5 | Very low | 30 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 14.8 | 177.6 | -60.2 | -165.3 | 130.6 | 0 | 0 | 114.5 | V465 | E463-V465 VanDerWaalsContact C-N 3.31Å; E463-V465 PolarHBondContact O-N 3.36Å |
| 464 | G | 28.4 | Very low | 30 | Very low | 59 Ų | 59 | 119.2 Ų | 119.2 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74 | 10.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | E462 K466 | E462-G464 PolarHBondContact O-N 3.45Å; G464-K466 PolarHBondContact O-N 3.25Å; G464-K466 VanDerWaalsContact O-N 3.13Å |
| 465 | V | 28 | Very low | 30.1 | Very low | 90 Ų | 90 | 123.2 Ų | 123.2 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | trans | -68.9 | 105.7 | -178.9 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | E463 T467 | E463-V465 VanDerWaalsContact C-N 3.31Å; E463-V465 PolarHBondContact O-N 3.36Å; V465-T467 PolarHBondContact O-N 2.87Å | ||
| 466 | K | 30.3 | Very low | 30 | Very low | 201 Ų | 201 | 127.1 Ų | 127.1 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | trans | -75 | 95.2 | 179.5 | -70.6 | 179.4 | -179.2 | 171.2 | 0 | 112.3 | G464 L468 | G464-K466 PolarHBondContact O-N 3.25Å; G464-K466 VanDerWaalsContact O-N 3.13Å; K466-L468 PolarHBondContact O-N 3.47Å | ||
| 467 | T | 28 | Very low | 29.9 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 77% | 0.773 | 70% | 0.703 | S | S | * | * | trans | -76.9 | 117.8 | 166.7 | 50.1 | 0 | 0 | 0 | 0 | 110.5 | V465 | V465-T467 PolarHBondContact O-N 2.87Š| ||
| 468 | L | 29.5 | Very low | 29.7 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | -104.1 | 103.3 | -173.9 | -156.3 | 157.3 | 0 | 0 | 0 | 111.1 | K466 Q470 | K466-L468 PolarHBondContact O-N 3.47Å; L468-Q470 HydrophobicContact CD2-CG 3.87Å; L468-Q470 PolarHBondContact O-N 2.84Å | ||
| 469 | Y | 25.9 | Very low | 29.3 | Very low | 186 Ų | 186 | 139.4 Ų | 139.4 | 73% | 0.729 | 74% | 0.738 | S | S | * | * | trans | -83.6 | 95.7 | -171.3 | -137.1 | -80.1 | 0 | 0 | 0 | 112 | ||||
| 470 | Q | 29.5 | Very low | 29.1 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -92.5 | 99.8 | 171.1 | -73.6 | -165.1 | -8 | 0 | 0 | 111.7 | L468 S472 | L468-Q470 HydrophobicContact CD2-CG 3.87Å; L468-Q470 PolarHBondContact O-N 2.84Å; Q470-S472 PolarHBondContact O-N 3.36Å; Q470-S472 VanDerWaalsContact O-N 3.15Å | ||
| 471 | N | 26 | Very low | 28.9 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | -75.4 | 95.8 | 172.1 | -93.8 | -22.3 | 0 | 0 | 0 | 111.2 | ||||
| 472 | S | 31.2 | Very low | 28.5 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -146.3 | 121.3 | 167.3 | 60 | 0 | 0 | 0 | 0 | 112.6 | Q470 G474 | Q470-S472 PolarHBondContact O-N 3.36Å; Q470-S472 VanDerWaalsContact O-N 3.15Å; S472-G474 PolarHBondContact O-N 2.84Å | ||
| 473 | G | 27.4 | Very low | 28.2 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 66.1 | 39.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 474 | G | 27.4 | Very low | 28 | Very low | 81 Ų | 81 | 142.1 Ų | 142.1 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 65.7 | 52.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | S472 | S472-G474 PolarHBondContact O-N 2.84Š|
| 475 | R | 30.2 | Very low | 28 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -150.8 | 111.4 | 159 | -102.4 | 167.1 | -174.7 | -145.1 | -9.9 | 110.1 | N434 C477 | N434-R475 PolarHBondContact OD1-NH2 2.65Å; R475-C477 PolarHBondContact O-N 2.92Å | ||
| 476 | H | 28.9 | Very low | 28.1 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 78% | 0.782 | 76% | 0.764 | S | S | * | * | trans | -78.1 | 102.6 | 172.3 | -71.3 | -75.7 | 0 | 0 | 0 | 109.9 | ||||
| 477 | C | 27.4 | Very low | 28 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | -122.5 | 104.1 | 172 | -69.2 | 0 | 0 | 0 | 0 | 110 | R475 R479 | R475-C477 PolarHBondContact O-N 2.92Å; C477-R479 PolarHBondContact O-N 3.14Å | ||
| 478 | Y | 27.1 | Very low | 28.1 | Very low | 223 Ų | 223 | 149.6 Ų | 149.6 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | trans | -68.4 | 100 | 164.2 | -65.4 | -81.8 | 0 | 0 | 0 | 108.6 | ||||
| 479 | R | 25.8 | Very low | 28.2 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -104.1 | 94.8 | 176.4 | -161.1 | -172.6 | -174.3 | -173.7 | 0.8 | 109.3 | C477 T481 | C477-R479 PolarHBondContact O-N 3.14Å; R479-T481 VanDerWaalsContact C-N 3.28Å; R479-T481 HydrophobicContact CG-CG2 3.95Å; R479-T481 PolarHBondContact O-N 2.92Å | ||
| 480 | I | 26.9 | Very low | 28.3 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | trans | -73.4 | 88.2 | 167.3 | -55.8 | 176.5 | 0 | 0 | 0 | 107.2 | S482 | I480-S482 PolarHBondContact O-N 3.35Š| ||
| 481 | T | 26.8 | Very low | 28.5 | Very low | 75 Ų | 75 | 145.8 Ų | 145.8 | 46% | 0.46 | 78% | 0.776 | S | S | . | * | trans | -79.2 | 104.3 | 169 | 38.4 | 0 | 0 | 0 | 0 | 109.2 | R479 E483 | R479-T481 VanDerWaalsContact C-N 3.28Å; R479-T481 HydrophobicContact CG-CG2 3.95Å; R479-T481 PolarHBondContact O-N 2.92Å; T481-E483 PolarHBondContact O-N 2.83Å | ||
| 482 | S | 26.5 | Very low | 28.6 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 82.5 | 163.2 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | I480 Q484 | I480-S482 PolarHBondContact O-N 3.35Å; S482-Q484 PolarHBondContact O-N 2.84Å | ||
| 483 | E | 29 | Very low | 28.6 | Very low | 149 Ų | 149 | 153.9 Ų | 153.9 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -75.5 | 114 | 173.7 | -67.3 | -169.2 | 143.6 | 0 | 0 | 110 | T481 L485 | T481-E483 PolarHBondContact O-N 2.83Å; E483-L485 PolarHBondContact O-N 3.3Å | ||
| 484 | Q | 28 | Very low | 28.7 | Very low | 193 Ų | 193 | 155.3 Ų | 155.3 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -71.9 | 99.4 | 165.2 | -61.9 | 174.3 | -78.6 | 0 | 0 | 108.2 | S482 | S482-Q484 PolarHBondContact O-N 2.84Š| ||
| 485 | L | 27.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 157.5 Ų | 157.5 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | trans | -142.6 | 105.7 | 175.1 | -89.1 | 173.2 | 0 | 0 | 0 | 112.9 | E483 | E483-L485 PolarHBondContact O-N 3.3Š| ||
| 486 | D | 29.9 | Very low | 29 | Very low | 129 Ų | 129 | 159.9 Ų | 159.9 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | trans | 49.2 | 132.1 | 147.6 | -53.7 | -21.3 | 0 | 0 | 0 | 122.5 | E488 | D486-E488 PolarHBondContact O-N 3.48Š| ||
| 487 | E | 28.8 | Very low | 29.1 | Very low | 195 Ų | 195 | 161.6 Ų | 161.6 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 1.5 | -176.1 | -58.8 | -173.1 | 123.3 | 0 | 0 | 115.9 | ||
| 488 | E | 30.2 | Very low | 29.1 | Very low | 184 Ų | 184 | 164.2 Ų | 164.2 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 1 | -168.8 | -63.7 | -155.4 | 131.6 | 0 | 0 | 115.8 | D486 F490 | D486-E488 PolarHBondContact O-N 3.48Å; E488-F490 PolarHBondContact O-N 3.03Å; E488-F490 VanDerWaalsContact O-N 3.1Å |
| 489 | S | 30.9 | Very low | 29.2 | Very low | 108 Ų | 108 | 161.3 Ų | 161.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -87.8 | 41.2 | -164.8 | -63.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 490 | F | 29.1 | Very low | 29.4 | Very low | 181 Ų | 181 | 154.5 Ų | 154.5 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 129.6 | 175.2 | -87.3 | -84.4 | 0 | 0 | 0 | 113.7 | E488 R492 | E488-F490 PolarHBondContact O-N 3.03Å; E488-F490 VanDerWaalsContact O-N 3.1Å; F490-R492 PolarHBondContact O-N 3.38Å |
| 491 | P | 33 | Very low | 29.4 | Very low | 123 Ų | 123 | 155.3 Ų | 155.3 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 124.5 | 166 | 29.8 | -32.2 | 0 | 0 | 0 | 110.3 | ||
| 492 | R | 29 | Very low | 29.4 | Very low | 241 Ų | 241 | 158 Ų | 158 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 145.6 | -167.7 | -62.5 | 177.4 | 177.8 | 175.8 | -1.8 | 114.3 | F490 | F490-R492 PolarHBondContact O-N 3.38Š|
| 493 | E | 30.9 | Very low | 29.5 | Very low | 176 Ų | 176 | 163.3 Ų | 163.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 153.9 | 157.5 | -70.9 | -168.1 | 129.5 | 0 | 0 | 112.2 | ||
| 494 | P | 29.7 | Very low | 29.2 | Very low | 115 Ų | 115 | 161.8 Ų | 161.8 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131.8 | 176.6 | 27.8 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 495 | P | 29.6 | Very low | 29.2 | Very low | 128 Ų | 128 | 156.3 Ų | 156.3 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 130.9 | -164.1 | 28.2 | -36.1 | 0 | 0 | 0 | 114.2 | ||
| 496 | R | 33.2 | Very low | 29.1 | Very low | 246 Ų | 246 | 159.3 Ų | 159.3 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | trans | -124.2 | 86.5 | 167.8 | -72.4 | -173.3 | 175 | 176.5 | 1 | 112.3 | ||||
| 497 | K | 31.6 | Very low | 28.9 | Very low | 206 Ų | 206 | 158.1 Ų | 158.1 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | trans | 44.3 | 113 | 157.7 | -63 | -174.8 | 177.4 | -177.8 | 0 | 118.6 | ||||
| 498 | L | 26.5 | Very low | 28.8 | Very low | 158 Ų | 158 | 153.5 Ų | 153.5 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -64.2 | 143.9 | 165.8 | -74.3 | 80.8 | 0 | 0 | 0 | 112.6 | ||||
| 499 | N | 30.6 | Very low | 28.8 | Very low | 162 Ų | 162 | 151 Ų | 151 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | 167.6 | 126.2 | 119.5 | -83.6 | -13.8 | 0 | 0 | 0 | 109.7 | |||||
| 500 | G | 29.6 | Very low | 28.6 | Very low | 68 Ų | 68 | 152.2 Ų | 152.2 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | 175.9 | 154.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 501 | F | 27.2 | Very low | 28.7 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | 60.9 | 107.6 | 156.8 | -83.8 | -103.7 | 0 | 0 | 0 | 122.2 | ||||
| 502 | I | 26.5 | Very low | 28.4 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | 52.8 | 114.6 | 123.5 | -59.5 | -174.6 | 0 | 0 | 0 | 116.8 | |||||
| 503 | R | 28.4 | Very low | 28.2 | Very low | 228 Ų | 228 | 146.2 Ų | 146.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | -162 | 160.5 | 80 | -132.1 | 135.4 | -159.6 | -149.8 | 4.7 | 115.2 | |||||
| 504 | S | 23.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -53.7 | 142 | 168.8 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 505 | G | 26.4 | Very low | 27.9 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -172 | 134.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 506 | E | 26.2 | Very low | 27.9 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -70.4 | 166.9 | -168.8 | -60.2 | 159.7 | 129.6 | 0 | 0 | 116.4 | ||||
| 507 | S | 25.7 | Very low | 27.7 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 70.7 | 130.6 | 145.3 | 74.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 508 | S | 26.9 | Very low | 27.6 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 72.7 | 144.3 | 135.1 | 52.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 509 | D | 30.6 | Very low | 27.7 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 68.2 | 100.1 | 151.9 | -65.1 | -40.2 | 0 | 0 | 0 | 121.6 | ||||
| 510 | N | 26.3 | Very low | 27.6 | Very low | 134 Ų | 134 | 143 Ų | 143 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | 39.1 | 106.1 | 109.7 | -59.9 | -54.7 | 0 | 0 | 0 | 117.2 | |||||
| 511 | N | 30.8 | Very low | 28 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | -167.6 | 131.3 | 118.5 | -98.6 | -46.1 | 0 | 0 | 0 | 115.3 | |||||
| 512 | L | 26.2 | Very low | 28.4 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | trans | 15 | 129.9 | 141.6 | -65.9 | 159.4 | 0 | 0 | 0 | 121.4 | ||||
| 513 | N | 26.1 | Very low | 28.9 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 58.8 | 112.3 | 134.3 | -53.7 | -4.8 | 0 | 0 | 0 | 120.5 | ||||
| 514 | Q | 27.7 | Very low | 29.1 | Very low | 165 Ų | 165 | 136 Ų | 136 | 77% | 0.771 | 72% | 0.721 | S | S | * | * | -170.8 | 127.9 | 95 | -96.1 | -178.2 | -58.5 | 0 | 0 | 108.9 | |||||
| 515 | E | 25.5 | Very low | 29.5 | Very low | 161 Ų | 161 | 140 Ų | 140 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | 54.4 | 101.4 | 94.8 | -67.1 | -172.1 | 136.3 | 0 | 0 | 113.9 | |||||
| 516 | D | 30.9 | Very low | 29.8 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | trans | -136.9 | 121 | 153.9 | -147.9 | -12.6 | 0 | 0 | 0 | 109.1 | ||||
| 517 | T | 28 | Very low | 29.9 | Very low | 104 Ų | 104 | 143.4 Ų | 143.4 | 64% | 0.638 | 71% | 0.711 | S | S | * | * | trans | -99.9 | 123.2 | -161.2 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 518 | Y | 29.1 | Very low | 30 | Very low | 207 Ų | 207 | 148 Ų | 148 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | trans | -120.7 | 120.7 | 169.3 | -77.3 | -85.5 | 0 | 0 | 0 | 111.8 | ||||
| 519 | N | 29.5 | Very low | 30.2 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | trans | -65.8 | 128.5 | -166.9 | -67.8 | -57.2 | 0 | 0 | 0 | 113.5 | ||||
| 520 | Y | 27.3 | Very low | 29.9 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -87 | 113.2 | 158.4 | -176.5 | -94.1 | 0 | 0 | 0 | 109.1 | P522 | Y520-P522 WeakPolarHBondContact O-CD 3.37Š| ||
| 521 | D | 39.3 | Very low | 30 | Very low | 77 Ų | 77 | 151.9 Ų | 151.9 | 41% | 0.412 | 74% | 0.736 | S | S | . | * | trans | -83.3 | 114.6 | 174.8 | 171 | 25.7 | 0 | 0 | 0 | 111 | N523 R524 | D521-N523 PolarHBondContact O-N 2.86Å; D521-N523 VanDerWaalsContact O-N 3.14Å; D521-N523 WeakPolarHBondContact OD1-CB 3.35Å; D521-N523 PolarHBondContact OD1-N 3.04Å; D521-N523 PolarHBondContact OD1-ND2 2.93Å; D521-R524 PolarHBondContact O-N 3.07Å; D521-R524 PolarHBondContact OD2-N 2.89Å | ||
| 522 | P | 36 | Very low | 29.7 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -10.5 | 178.5 | -18.7 | 33.5 | 0 | 0 | 0 | 114.4 | Y520 | Y520-P522 WeakPolarHBondContact O-CD 3.37Š|
| 523 | N | 35.4 | Very low | 29.7 | Very low | 76 Ų | 76 | 151.1 Ų | 151.1 | 41% | 0.406 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.7 | -3.3 | -174.4 | -56.4 | -88 | 0 | 0 | 0 | 113.7 | D521 Y525 R526 | D521-N523 PolarHBondContact O-N 2.86Å; D521-N523 VanDerWaalsContact O-N 3.14Å; D521-N523 WeakPolarHBondContact OD1-CB 3.35Å; D521-N523 PolarHBondContact OD1-N 3.04Å; D521-N523 PolarHBondContact OD1-ND2 2.93Å; N523-Y525 PolarHBondContact O-N 3.3Å; N523-R526 WeakPolarHBondContact O-CB 3.38Å; N523-R526 PolarHBondContact O-N 3.13Å; N523-R526 VanDerWaalsContact O-N 3.08Å; N523-R526 PolarHBondContact OD1-NH1 3.3Å |
| 524 | R | 34.4 | Very low | 29.7 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -15 | -168.6 | -140.4 | 179.1 | -163.7 | -154.8 | 3.6 | 115.6 | D521 | D521-R524 PolarHBondContact O-N 3.07Å; D521-R524 PolarHBondContact OD2-N 2.89Å |
| 525 | Y | 32.2 | Very low | 29.5 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 79% | 0.788 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 17.3 | 179.9 | -61.1 | -73.6 | 0 | 0 | 0 | 114.4 | N523 N527 | N523-Y525 PolarHBondContact O-N 3.3Å; Y525-N527 VanDerWaalsContact C-N 3.31Å; Y525-N527 PolarHBondContact O-N 2.85Å |
| 526 | R | 30.8 | Very low | 29.5 | Very low | 198 Ų | 198 | 144.8 Ų | 144.8 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | trans | -78.2 | 10.2 | -171.8 | -104.9 | -179.6 | 168.4 | -178.4 | -8.7 | 117.7 | N523 | N523-R526 WeakPolarHBondContact O-CB 3.38Å; N523-R526 PolarHBondContact O-N 3.13Å; N523-R526 VanDerWaalsContact O-N 3.08Å; N523-R526 PolarHBondContact OD1-NH1 3.3Å | ||
| 527 | N | 30 | Very low | 29.2 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | -119.9 | 144.6 | -172.2 | -72.8 | -38.5 | 0 | 0 | 0 | 113.6 | Y525 | Y525-N527 VanDerWaalsContact C-N 3.31Å; Y525-N527 PolarHBondContact O-N 2.85Å | ||
| 528 | F | 27.9 | Very low | 29.2 | Very low | 200 Ų | 200 | 145 Ų | 145 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 74.9 | 131.8 | -179.1 | -54.8 | -76.9 | 0 | 0 | 0 | 116.6 | ||
| 529 | P | 29.7 | Very low | 29 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | -126.2 | 147.9 | -58.7 | 27.2 | -11.2 | 0 | 0 | 0 | 113.2 | |||||
| 530 | N | 25.5 | Very low | 29.2 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -72 | 144.2 | -176 | -67.9 | -52 | 0 | 0 | 0 | 114.4 | ||||
| 531 | L | 27 | Very low | 29.2 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | trans | -150.5 | 56.9 | 157.2 | -123.4 | 161.6 | 0 | 0 | 0 | 114.6 | ||||
| 532 | I | 26.3 | Very low | 28.5 | Very low | 138 Ų | 138 | 139 Ų | 139 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | 40 | 102.1 | 137 | -56 | -178.9 | 0 | 0 | 0 | 118.4 | ||||
| 533 | T | 24.4 | Very low | 28 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | 17.1 | 135.1 | 138.3 | 63 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 534 | S | 26.2 | Very low | 27.7 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | -174.4 | 141.9 | 102.2 | -169.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 535 | S | 24.2 | Very low | 27.5 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -73.5 | 154.3 | 167.9 | 46.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 536 | A | 26.1 | Very low | 27.2 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | -175.8 | 153 | 120.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 537 | S | 24.3 | Very low | 27.2 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -81.2 | 162.2 | 175.1 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 538 | V | 28.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | -179.3 | 142.3 | 123.3 | 146.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 539 | L | 25.1 | Very low | 27.1 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | -109.2 | 180 | 174.1 | -82.5 | 163.8 | 0 | 0 | 0 | 108.8 | ||||
| 540 | P | 32.2 | Very low | 26.8 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | cis | -130.1 | -148.2 | -26.4 | 23 | 2.3 | 0 | 0 | 0 | 110.8 | ||||
| 541 | V | 27.3 | Very low | 26.7 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | 111.2 | 108.9 | 144.6 | 176.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 542 | N | 25.4 | Very low | 26.5 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | trans | 65.7 | 116.8 | 143.7 | -79.4 | -26.6 | 0 | 0 | 0 | 123.5 | ||||
| 543 | R | 26.1 | Very low | 26.4 | Very low | 206 Ų | 206 | 128 Ų | 128 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | 104.6 | 129.9 | 111.9 | -81.8 | 175.1 | -170.7 | -164.2 | -0.2 | 121 | |||||
| 544 | T | 28 | Very low | 26.4 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 80.3 | 127.4 | 138.9 | 46 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 545 | S | 29.8 | Very low | 26.4 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | 70.8 | 90.3 | 139.7 | 58.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 546 | T | 27.2 | Very low | 26.5 | Very low | 139 Ų | 139 | 128 Ų | 128 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | 76.4 | 147.7 | 126.9 | 45.8 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 547 | P | 30.3 | Very low | 26.6 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -109.2 | 167.8 | -161.8 | 41.6 | -32.7 | 0 | 0 | 0 | 113.5 | ||||
| 548 | D | 27.3 | Very low | 26.7 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | -152.8 | 172.9 | 124.4 | -135.5 | -38.9 | 0 | 0 | 0 | 112.2 | |||||
| 549 | T | 27.5 | Very low | 26.6 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -56.2 | 156.8 | -177.3 | 54.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 550 | G | 24.8 | Very low | 26.6 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 149 | 58.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 551 | Y | 22.8 | Very low | 26.2 | Very low | 212 Ų | 212 | 132.4 Ų | 132.4 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | 35.4 | 114.7 | 150.1 | -77.3 | -96.8 | 0 | 0 | 0 | 122.5 | ||||
| 552 | T | 23 | Very low | 26 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | 68.6 | 151.2 | 140.3 | 66.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 553 | V | 24.2 | Very low | 26 | Very low | 110 Ų | 110 | 130 Ų | 130 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | cis | -153.1 | 138.3 | 33.7 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 554 | N | 24 | Very low | 25.9 | Very low | 152 Ų | 152 | 127 Ų | 127 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 61.3 | 163.5 | 165.6 | -66 | -27.1 | 0 | 0 | 0 | 116.7 | ||||
| 555 | V | 26.8 | Very low | 25.8 | Very low | 139 Ų | 139 | 131 Ų | 131 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | cis | -140 | 137.9 | 21.3 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 556 | G | 25.6 | Very low | 25.5 | Very low | 64 Ų | 64 | 130.3 Ų | 130.3 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | trans | 73.3 | 136 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 557 | S | 28.2 | Very low | 25.3 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | cis | -130.6 | 134.3 | 7.7 | -67 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 558 | K | 26.6 | Very low | 25.1 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | 52.9 | 127.4 | 73.8 | -65.4 | -174.8 | 176.7 | -178.2 | 0 | 111.9 | |||||
| 559 | A | 25.6 | Very low | 24.9 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | cis | -141 | 141.6 | 18.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 560 | V | 25.1 | Very low | 24.9 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | 67.7 | 119.3 | 101.5 | -179.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 561 | F | 24.4 | Very low | 24.9 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | cis | -123.7 | 169.6 | 40.9 | -85.9 | -88.9 | 0 | 0 | 0 | 116.4 | ||||
| 562 | P | 24.2 | Very low | 25.1 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -111.1 | 159.9 | -174.6 | 40.4 | -30.4 | 0 | 0 | 0 | 115.5 | ||||
| 563 | G | 23.9 | Very low | 25.3 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | 74.2 | 88.5 | 137.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 564 | I | 24.7 | Very low | 25.5 | Very low | 143 Ų | 143 | 130 Ų | 130 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -126.2 | 96.9 | 149.1 | -58.8 | -177.4 | 0 | 0 | 0 | 108.9 | S566 | I564-S566 WeakPolarHBondContact CG2-O 3.4Š| ||
| 565 | H | 25.5 | Very low | 25.8 | Very low | 209 Ų | 209 | 128.3 Ų | 128.3 | 97% | 0.968 | 72% | 0.722 | S | S | * | * | trans | -105.6 | 66.5 | 164 | -114 | -40.6 | 0 | 0 | 0 | 108.3 | ||||
| 566 | S | 23.9 | Very low | 26.1 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -162.7 | 130.7 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | I564 | I564-S566 WeakPolarHBondContact CG2-O 3.4Š|
| 567 | R | 22.9 | Very low | 26.5 | Very low | 223 Ų | 223 | 131.1 Ų | 131.1 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | trans | 33.3 | 101.2 | 158.9 | -64.3 | -178.5 | 178.4 | 175 | -6.2 | 117.1 | ||||
| 568 | C | 25.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 78% | 0.784 | 70% | 0.703 | S | S | * | * | trans | -99.9 | 84.3 | 154.7 | -65.8 | 0 | 0 | 0 | 0 | 108.5 | I570 | C568-I570 PolarHBondContact O-N 3.48Š| ||
| 569 | D | 23.9 | Very low | 27.1 | Very low | 124 Ų | 124 | 127 Ų | 127 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | trans | -71.8 | 108.7 | 166 | -57.1 | -56.8 | 0 | 0 | 0 | 107.1 | I571 | D569-I571 PolarHBondContact O-N 2.85Š| ||
| 570 | I | 27.9 | Very low | 27.9 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 71% | 0.713 | 68% | 0.679 | S | S | * | * | trans | -85.5 | 95.9 | -172.8 | -57.3 | -178.8 | 0 | 0 | 0 | 109.7 | C568 I573 | C568-I570 PolarHBondContact O-N 3.48Å; I570-I573 HydrophobicContact CG2-CD1 4.3Å; I570-I573 HydrophobicContact CG2-CG1 4.32Å | ||
| 571 | I | 25.2 | Very low | 28.7 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 54% | 0.538 | 67% | 0.665 | S | S | . | * | trans | -107.7 | 143.7 | 167.9 | -67.4 | 171 | 0 | 0 | 0 | 108 | L455 D569 | L455-I571 HydrophobicContact CD1-CD1 4.43Å; L455-I571 HydrophobicContact CD1-CG1 4.3Å; L455-I571 HydrophobicContact CD1-CG2 3.79Å; L455-I571 HydrophobicContact CD2-CG2 3.98Å; D569-I571 PolarHBondContact O-N 2.85Å | ||
| 572 | D | 25.6 | Very low | 29.5 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 66% | 0.658 | 65% | 0.652 | S | S | * | * | trans | 48.3 | 90.9 | 171.1 | -59.5 | -27.7 | 0 | 0 | 0 | 118.7 | T574 | D572-T574 VanDerWaalsContact C-N 3.32Å; D572-T574 PolarHBondContact O-N 2.71Å | ||
| 573 | I | 27.3 | Very low | 30.2 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | trans | -88 | 70.8 | 163 | -50.1 | -176.9 | 0 | 0 | 0 | 110 | L278 I570 M575 | L278-I573 HydrophobicContact CD2-CD1 3.94Å; I570-I573 HydrophobicContact CG2-CD1 4.3Å; I570-I573 HydrophobicContact CG2-CG1 4.32Å; I573-M575 PolarHBondContact O-N 3.08Å | ||
| 574 | T | 28.2 | Very low | 31.2 | Very low | 96 Ų | 96 | 122 Ų | 122 | 59% | 0.589 | 63% | 0.631 | S | S | * | * | trans | -74.4 | 116.7 | 158.2 | -66.6 | 0 | 0 | 0 | 0 | 108 | D572 H576 | D572-T574 VanDerWaalsContact C-N 3.32Å; D572-T574 PolarHBondContact O-N 2.71Å; T574-H576 VanDerWaalsContact C-N 3.32Å; T574-H576 PolarHBondContact O-CD2 2.84Å; T574-H576 PolarHBondContact O-N 3.09Å | ||
| 575 | M | 31.1 | Very low | 32.7 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 57% | 0.571 | 62% | 0.62 | S | S | * | * | trans | -71.2 | 86.7 | 177.7 | -73.9 | -155.1 | -60.1 | 0 | 0 | 111.3 | I573 F577 | I573-M575 PolarHBondContact O-N 3.08Å; M575-F577 PolarHBondContact O-N 3.49Å; M575-F577 VanDerWaalsContact O-N 3.14Å | ||
| 576 | H | 33.3 | Very low | 33.9 | Very low | 137 Ų | 137 | 114.9 Ų | 114.9 | 63% | 0.634 | 60% | 0.604 | S | S | * | * | trans | -61.9 | 114.1 | 170.8 | -64.1 | -83.2 | 0 | 0 | 0 | 110.1 | T574 H578 P579 | T574-H576 VanDerWaalsContact C-N 3.32Å; T574-H576 PolarHBondContact O-CD2 2.84Å; T574-H576 PolarHBondContact O-N 3.09Å; H576-H578 HydrophobicContact CB-CB 4.45Å; H576-H578 PolarHBondContact O-N 3.21Å; H576-H578 VanDerWaalsContact O-N 3.15Å; H576-P579 WeakPolarHBondContact O-CD 3.43Å | ||
| 577 | F | 33 | Very low | 35.2 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 55% | 0.553 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -63.9 | -13 | 169.4 | -78.2 | -92.5 | 0 | 0 | 0 | 113.1 | M575 I580 L581 | M575-F577 PolarHBondContact O-N 3.49Å; M575-F577 VanDerWaalsContact O-N 3.14Å; F577-I580 PolarHBondContact O-N 3.5Å; F577-I580 VanDerWaalsContact O-N 3.11Å; F577-L581 HydrophobicContact CB-CD1 4.04Å; F577-L581 HydrophobicContact CB-CG 4.42Å; F577-L581 WeakPolarHBondContact O-CG 3.37Å; F577-L581 PolarHBondContact O-N 3.43Å |
| 578 | H | 34.2 | Very low | 36.3 | Very low | 152 Ų | 152 | 108.7 Ų | 108.7 | 70% | 0.704 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -55.1 | -48.2 | -171.3 | -149.8 | 53.4 | 0 | 0 | 0 | 114.1 | H576 I580 L581 S582 | H576-H578 HydrophobicContact CB-CB 4.45Å; H576-H578 PolarHBondContact O-N 3.21Å; H576-H578 VanDerWaalsContact O-N 3.15Å; H578-I580 VanDerWaalsContact C-N 3.28Å; H578-I580 PolarHBondContact O-N 3.4Å; H578-L581 PolarHBondContact O-N 2.96Å; H578-S582 WeakPolarHBondContact O-CB 3.39Å; H578-S582 PolarHBondContact O-N 3.14Å; H578-S582 PolarHBondContact O-OG 3.22Å |
| 579 | P | 34.1 | Very low | 37.6 | Very low | 74 Ų | 74 | 106.2 Ų | 106.2 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.3 | -21.3 | 179.4 | -16.7 | 33.2 | 0 | 0 | 0 | 113.7 | H576 S582 N583 | H576-P579 WeakPolarHBondContact O-CD 3.43Å; P579-S582 WeakPolarHBondContact CA-OG 3.12Å; P579-S582 PolarHBondContact O-OG 2.93Å; P579-S582 VanDerWaalsContact O-OG 3.14Å; P579-N583 PolarHBondContact O-ND2 2.8Å; P579-N583 VanDerWaalsContact O-ND2 3.12Å; P579-N583 PolarHBondContact O-OD1 2.81Å |
| 580 | I | 41.4 | Very low | 39 | Very low | 116 Ų | 116 | 105 Ų | 105 | 60% | 0.595 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -79.7 | -43.7 | 177.4 | -59.6 | 173.1 | 0 | 0 | 0 | 109.1 | F577 H578 N583 | F577-I580 PolarHBondContact O-N 3.5Å; F577-I580 VanDerWaalsContact O-N 3.11Å; H578-I580 VanDerWaalsContact C-N 3.28Å; H578-I580 PolarHBondContact O-N 3.4Å; I580-N583 PolarHBondContact O-N 2.85Å |
| 581 | L | 41.7 | Very low | 40.1 | Very low | 75 Ų | 75 | 105.6 Ų | 105.6 | 39% | 0.393 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.7 | -34.2 | 177.8 | -65.5 | 173.6 | 0 | 0 | 0 | 112.6 | F577 H578 N583 L584 L592 | F577-L581 HydrophobicContact CB-CD1 4.04Å; F577-L581 HydrophobicContact CB-CG 4.42Å; F577-L581 WeakPolarHBondContact O-CG 3.37Å; F577-L581 PolarHBondContact O-N 3.43Å; H578-L581 PolarHBondContact O-N 2.96Å; L581-N583 PolarHBondContact O-N 3.38Å; L581-L584 HydrophobicContact CD2-CD1 4.09Å; L581-L584 PolarHBondContact O-N 3.39Å; L581-L592 HydrophobicContact CD2-CD2 4.34Å |
| 582 | S | 41.4 | Very low | 41.7 | Very low | 84 Ų | 84 | 104.1 Ų | 104.1 | 59% | 0.587 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -21 | 176.3 | 64.7 | 0 | 0 | 0 | 0 | 114.1 | H578 P579 | H578-S582 WeakPolarHBondContact O-CB 3.39Å; H578-S582 PolarHBondContact O-N 3.14Å; H578-S582 PolarHBondContact O-OG 3.22Å; P579-S582 WeakPolarHBondContact CA-OG 3.12Å; P579-S582 PolarHBondContact O-OG 2.93Å; P579-S582 VanDerWaalsContact O-OG 3.14Å |
| 583 | N | 40.3 | Very low | 43.1 | Very low | 132 Ų | 132 | 104.4 Ų | 104.4 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -5.1 | -178 | -68.3 | -5.3 | 0 | 0 | 0 | 113 | P579 I580 L581 | P579-N583 PolarHBondContact O-ND2 2.8Å; P579-N583 VanDerWaalsContact O-ND2 3.12Å; P579-N583 PolarHBondContact O-OD1 2.81Å; I580-N583 PolarHBondContact O-N 2.85Å; L581-N583 PolarHBondContact O-N 3.38Å |
| 584 | L | 44.7 | Very low | 44.5 | Very low | 69 Ų | 69 | 104.6 Ų | 104.6 | 36% | 0.361 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -79.7 | 129.2 | 175.1 | -72.5 | 172.6 | 0 | 0 | 0 | 110.4 | L581 Q588 L589 | L581-L584 HydrophobicContact CD2-CD1 4.09Å; L581-L584 PolarHBondContact O-N 3.39Å; L584-Q588 HydrophobicContact CB-CB 4.42Å; L584-Q588 HydrophobicContact CD2-CB 4.3Å; L584-L589 HydrophobicContact CB-CD1 3.7Å; L584-L589 HydrophobicContact CD1-CD1 4.09Å |
| 585 | P | 55.8 | Low | 46 | Very low | 77 Ų | 77 | 104.2 Ų | 104.2 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | trans | -64.2 | 148.9 | 172.9 | 26.8 | -33 | 0 | 0 | 0 | 110.5 | N587 Q588 L589 | P585-N587 PolarHBondContact O-N 2.96Å; P585-N587 PolarHBondContact O-OD1 3.45Å; P585-Q588 HydrophobicContact CG-CG 3.9Å; P585-Q588 WeakPolarHBondContact O-CB 3.38Å; P585-Q588 PolarHBondContact O-N 2.94Å; P585-L589 PolarHBondContact O-N 3.17Å | ||
| 586 | M | 50.6 | Low | 46.9 | Very low | 126 Ų | 126 | 102.4 Ų | 102.4 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -52.9 | -36.1 | -167.9 | -165.2 | 67.2 | -176.6 | 0 | 0 | 114.1 | Q588 L589 E590 | M586-Q588 VanDerWaalsContact C-N 3.27Å; M586-Q588 PolarHBondContact O-N 2.85Å; M586-L589 WeakPolarHBondContact O-CA 3.43Å; M586-L589 WeakPolarHBondContact O-CB 3.45Å; M586-L589 PolarHBondContact O-N 3.04Å; M586-L589 HydrophobicContact SD-CB 4.47Å; M586-L589 HydrophobicContact SD-CD2 4.41Å; M586-E590 HydrophobicContact CG-CG 4.45Å; M586-E590 WeakPolarHBondContact O-CG 3.36Å; M586-E590 PolarHBondContact O-N 3.48Å |
| 587 | N | 50.3 | Low | 47.6 | Very low | 101 Ų | 101 | 98.6 Ų | 98.6 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -23.2 | 177.3 | 64.4 | -15 | 0 | 0 | 0 | 114.2 | P585 R591 | P585-N587 PolarHBondContact O-N 2.96Å; P585-N587 PolarHBondContact O-OD1 3.45Å; N587-R591 WeakPolarHBondContact O-CB 2.98Å; N587-R591 PolarHBondContact O-N 3.31Å |
| 588 | Q | 47.3 | Very low | 48.5 | Very low | 74 Ų | 74 | 96.7 Ų | 96.7 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -82.1 | -32.4 | 170.3 | -60.1 | -71.9 | 14.7 | 0 | 0 | 111.1 | L584 P585 M586 L592 | L584-Q588 HydrophobicContact CB-CB 4.42Å; L584-Q588 HydrophobicContact CD2-CB 4.3Å; P585-Q588 HydrophobicContact CG-CG 3.9Å; P585-Q588 WeakPolarHBondContact O-CB 3.38Å; P585-Q588 PolarHBondContact O-N 2.94Å; M586-Q588 VanDerWaalsContact C-N 3.27Å; M586-Q588 PolarHBondContact O-N 2.85Å; Q588-L592 VanDerWaalsContact O-CB 3.28Å; Q588-L592 WeakPolarHBondContact O-CB 3.28Å; Q588-L592 PolarHBondContact O-N 3.23Å |
| 589 | L | 52.5 | Low | 48.7 | Very low | 63 Ų | 63 | 95.1 Ų | 95.1 | 33% | 0.33 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -52.8 | 172.4 | -120.9 | 75.1 | 0 | 0 | 0 | 111.2 | L584 P585 M586 R591 L592 E593 | L584-L589 HydrophobicContact CB-CD1 3.7Å; L584-L589 HydrophobicContact CD1-CD1 4.09Å; P585-L589 PolarHBondContact O-N 3.17Å; M586-L589 WeakPolarHBondContact O-CA 3.43Å; M586-L589 WeakPolarHBondContact O-CB 3.45Å; M586-L589 PolarHBondContact O-N 3.04Å; M586-L589 HydrophobicContact SD-CB 4.47Å; M586-L589 HydrophobicContact SD-CD2 4.41Å; L589-R591 VanDerWaalsContact C-N 3.26Å; L589-R591 PolarHBondContact O-N 3.23Å; L589-L592 WeakPolarHBondContact O-CB 3.21Å; L589-L592 PolarHBondContact O-N 3.12Å; L589-L592 VanDerWaalsContact O-N 3.13Å; L589-E593 WeakPolarHBondContact O-CB 3.44Å; L589-E593 PolarHBondContact O-N 3.38Å |
| 590 | E | 52.9 | Low | 49 | Very low | 98 Ų | 98 | 97.1 Ų | 97.1 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.4 | -40.1 | 175.1 | -70.1 | 173.4 | 165.4 | 0 | 0 | 111.7 | M586 E593 Q594 | M586-E590 HydrophobicContact CG-CG 4.45Å; M586-E590 WeakPolarHBondContact O-CG 3.36Å; M586-E590 PolarHBondContact O-N 3.48Å; E590-E593 PolarHBondContact O-N 3.13Å; E590-Q594 WeakPolarHBondContact O-CB 3.4Å; E590-Q594 VanDerWaalsContact O-CG 3.32Å; E590-Q594 WeakPolarHBondContact O-CG 3.4Å; E590-Q594 PolarHBondContact O-N 3.45Å |
| 591 | R | 52.1 | Low | 49 | Very low | 153 Ų | 153 | 100 Ų | 100 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.6 | -38.5 | 177.9 | -174.5 | 177.8 | -176.9 | -175 | 1.9 | 112.2 | N587 L589 I595 | N587-R591 WeakPolarHBondContact O-CB 2.98Å; N587-R591 PolarHBondContact O-N 3.31Å; L589-R591 VanDerWaalsContact C-N 3.26Å; L589-R591 PolarHBondContact O-N 3.23Å; R591-I595 HydrophobicContact CG-CD1 4.26Å; R591-I595 WeakPolarHBondContact O-CB 3.46Å; R591-I595 WeakPolarHBondContact O-CD1 3.43Å; R591-I595 WeakPolarHBondContact O-CG1 3.47Å; R591-I595 PolarHBondContact O-N 2.94Å |
| 592 | L | 58.1 | Low | 48.9 | Very low | 74 Ų | 74 | 105 Ų | 105 | 39% | 0.387 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 173.6 | -176.7 | 65 | 0 | 0 | 0 | 110.9 | L581 Q588 L589 I595 I596 | L581-L592 HydrophobicContact CD2-CD2 4.34Å; Q588-L592 VanDerWaalsContact O-CB 3.28Å; Q588-L592 WeakPolarHBondContact O-CB 3.28Å; Q588-L592 PolarHBondContact O-N 3.23Å; L589-L592 WeakPolarHBondContact O-CB 3.21Å; L589-L592 PolarHBondContact O-N 3.12Å; L589-L592 VanDerWaalsContact O-N 3.13Å; L592-I595 PolarHBondContact O-N 2.84Å; L592-I596 HydrophobicContact CD1-CD1 4.41Å; L592-I596 HydrophobicContact CG-CD1 4.09Å; L592-I596 WeakPolarHBondContact O-CG1 3.49Å; L592-I596 PolarHBondContact O-N 3.33Å |
| 593 | E | 54.6 | Low | 48.8 | Very low | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 174.8 | -174.1 | -178.9 | -175.2 | 0 | 0 | 111.8 | L589 E590 I596 T597 | L589-E593 WeakPolarHBondContact O-CB 3.44Å; L589-E593 PolarHBondContact O-N 3.38Å; E590-E593 PolarHBondContact O-N 3.13Å; E593-I596 PolarHBondContact O-N 2.86Å; E593-T597 WeakPolarHBondContact O-CB 3.39Å; E593-T597 PolarHBondContact O-N 2.96Å; E593-T597 PolarHBondContact O-OG1 3.42Å |
| 594 | Q | 58.1 | Low | 48.5 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -38.6 | 173.6 | -77.9 | -175.6 | 11.2 | 0 | 0 | 112.4 | E590 N598 | E590-Q594 WeakPolarHBondContact O-CB 3.4Å; E590-Q594 VanDerWaalsContact O-CG 3.32Å; E590-Q594 WeakPolarHBondContact O-CG 3.4Å; E590-Q594 PolarHBondContact O-N 3.45Å; Q594-N598 WeakPolarHBondContact O-CB 3.46Å; Q594-N598 PolarHBondContact O-N 2.95Å; Q594-N598 PolarHBondContact O-ND2 2.83Å |
| 595 | I | 57.8 | Low | 48 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 45% | 0.451 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -49.7 | 175.1 | -73.5 | 162.7 | 0 | 0 | 0 | 110.1 | R591 L592 T597 N598 M599 | R591-I595 HydrophobicContact CG-CD1 4.26Å; R591-I595 WeakPolarHBondContact O-CB 3.46Å; R591-I595 WeakPolarHBondContact O-CD1 3.43Å; R591-I595 WeakPolarHBondContact O-CG1 3.47Å; R591-I595 PolarHBondContact O-N 2.94Å; L592-I595 PolarHBondContact O-N 2.84Å; I595-T597 PolarHBondContact O-N 2.79Å; I595-N598 PolarHBondContact O-N 3.14Å; I595-M599 HydrophobicContact CG2-CE 4.14Å; I595-M599 WeakPolarHBondContact O-CG 3.22Å; I595-M599 PolarHBondContact O-N 3Å |
| 596 | I | 51.5 | Low | 46.9 | Very low | 79 Ų | 79 | 116.3 Ų | 116.3 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.9 | -48.3 | 177.4 | -67.2 | 164.9 | 0 | 0 | 0 | 110.8 | L592 E593 N598 M599 L600 | L592-I596 HydrophobicContact CD1-CD1 4.41Å; L592-I596 HydrophobicContact CG-CD1 4.09Å; L592-I596 WeakPolarHBondContact O-CG1 3.49Å; L592-I596 PolarHBondContact O-N 3.33Å; E593-I596 PolarHBondContact O-N 2.86Å; I596-N598 VanDerWaalsContact C-N 3.33Å; I596-N598 PolarHBondContact O-N 3.01Å; I596-M599 HydrophobicContact CG1-CE 4.36Å; I596-M599 PolarHBondContact O-N 3.11Å; I596-L600 HydrophobicContact CG2-CD1 3.84Å; I596-L600 HydrophobicContact CG2-CG 4.5Å; I596-L600 WeakPolarHBondContact O-CG 3.19Å; I596-L600 PolarHBondContact O-N 2.86Å |
| 597 | T | 47.8 | Very low | 45.8 | Very low | 57 Ų | 57 | 116.1 Ų | 116.1 | 35% | 0.35 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.4 | -38.9 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | E593 I595 L600 R601 | E593-T597 WeakPolarHBondContact O-CB 3.39Å; E593-T597 PolarHBondContact O-N 2.96Å; E593-T597 PolarHBondContact O-OG1 3.42Å; I595-T597 PolarHBondContact O-N 2.79Å; T597-L600 PolarHBondContact O-N 3.01Å; T597-R601 WeakPolarHBondContact O-CB 3.29Å; T597-R601 PolarHBondContact O-N 3.2Å |
| 598 | N | 52.3 | Low | 44.7 | Very low | 85 Ų | 85 | 119.9 Ų | 119.9 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -71.8 | -36.2 | 176.8 | -77.3 | -42.1 | 0 | 0 | 0 | 112.6 | Q594 I595 I596 K602 | Q594-N598 WeakPolarHBondContact O-CB 3.46Å; Q594-N598 PolarHBondContact O-N 2.95Å; Q594-N598 PolarHBondContact O-ND2 2.83Å; I595-N598 PolarHBondContact O-N 3.14Å; I596-N598 VanDerWaalsContact C-N 3.33Å; I596-N598 PolarHBondContact O-N 3.01Å; N598-K602 WeakPolarHBondContact O-CG 3.34Å; N598-K602 PolarHBondContact O-N 3.35Å; N598-K602 VanDerWaalsContact O-N 3.14Å |
| 599 | M | 37.3 | Very low | 43.8 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 59% | 0.591 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.2 | -43 | 171.2 | -70 | -169.3 | -60.3 | 0 | 0 | 111.4 | I595 I596 | I595-M599 HydrophobicContact CG2-CE 4.14Å; I595-M599 WeakPolarHBondContact O-CG 3.22Å; I595-M599 PolarHBondContact O-N 3Å; I596-M599 HydrophobicContact CG1-CE 4.36Å; I596-M599 PolarHBondContact O-N 3.11Å |
| 600 | L | 39.9 | Very low | 42.7 | Very low | 116 Ų | 116 | 124 Ų | 124 | 61% | 0.607 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.7 | -42.1 | 178.6 | -68 | 170.7 | 0 | 0 | 0 | 112.5 | I596 T597 K602 K603 | I596-L600 HydrophobicContact CG2-CD1 3.84Å; I596-L600 HydrophobicContact CG2-CG 4.5Å; I596-L600 WeakPolarHBondContact O-CG 3.19Å; I596-L600 PolarHBondContact O-N 2.86Å; T597-L600 PolarHBondContact O-N 3.01Å; L600-K602 PolarHBondContact O-N 2.99Å; L600-K603 WeakPolarHBondContact O-CB 3.21Å; L600-K603 PolarHBondContact O-N 3.07Å; L600-K603 VanDerWaalsContact O-N 3.13Å |
| 601 | R | 41.1 | Very low | 41.5 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 66% | 0.66 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.6 | -41.5 | 175.3 | -87.1 | -176.2 | 169.1 | 168.1 | -1.8 | 112.5 | T597 K603 K604 | T597-R601 WeakPolarHBondContact O-CB 3.29Å; T597-R601 PolarHBondContact O-N 3.2Å; R601-K603 PolarHBondContact O-N 2.8Å; R601-K603 VanDerWaalsContact O-N 3.12Å; R601-K604 PolarHBondContact O-N 2.78Å; R601-K604 VanDerWaalsContact O-N 3.09Å |
| 602 | K | 41 | Very low | 40.4 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -60.8 | -20.3 | 176.8 | -78.8 | -178.4 | 176.1 | -176.2 | 0 | 113.5 | N598 L600 | N598-K602 WeakPolarHBondContact O-CG 3.34Å; N598-K602 PolarHBondContact O-N 3.35Å; N598-K602 VanDerWaalsContact O-N 3.14Å; L600-K602 PolarHBondContact O-N 2.99Å |
| 603 | K | 38.6 | Very low | 39 | Very low | 188 Ų | 188 | 126.8 Ų | 126.8 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -4.5 | 178 | -151.6 | 171.6 | -176 | 178.6 | 0 | 114.1 | L600 R601 | L600-K603 WeakPolarHBondContact O-CB 3.21Å; L600-K603 PolarHBondContact O-N 3.07Å; L600-K603 VanDerWaalsContact O-N 3.13Å; R601-K603 PolarHBondContact O-N 2.8Å; R601-K603 VanDerWaalsContact O-N 3.12Å |
| 604 | K | 35.3 | Very low | 37.8 | Very low | 187 Ų | 187 | 129.4 Ų | 129.4 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 12.4 | -168.9 | -139.6 | 175.4 | -174.3 | 178.7 | 0 | 115.9 | R601 | R601-K604 PolarHBondContact O-N 2.78Å; R601-K604 VanDerWaalsContact O-N 3.09Å |
| 605 | I | 34 | Very low | 36.4 | Very low | 154 Ų | 154 | 130 Ų | 130 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -117.1 | 27 | -175.2 | -44.3 | 179.9 | 0 | 0 | 0 | 111.1 | ||
| 606 | G | 31.3 | Very low | 35.1 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -112.3 | -21.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 607 | C | 27.4 | Very low | 33.8 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | trans | -146.5 | 79.4 | -164.9 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 608 | L | 27.5 | Very low | 33.1 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 94% | 0.937 | 76% | 0.763 | S | S | * | * | trans | -149.2 | 85.7 | 171.1 | -79.6 | -178.2 | 0 | 0 | 0 | 112.5 | ||||
| 609 | A | 29.8 | Very low | 31.9 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -173.2 | 122.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 610 | P | 28.5 | Very low | 31.5 | Very low | 128 Ų | 128 | 150.2 Ų | 150.2 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -91.3 | 164.8 | 176.4 | 35.9 | -34.1 | 0 | 0 | 0 | 113.3 | ||||
| 611 | D | 27.6 | Very low | 30.8 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -55.9 | 153.6 | 179.5 | -77.4 | -72.2 | 0 | 0 | 0 | 115.8 | ||||
| 612 | T | 28.4 | Very low | 30.1 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | trans | -157.2 | 123.6 | 132.6 | -2.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 613 | S | 29.2 | Very low | 29.4 | Very low | 93 Ų | 93 | 148.6 Ų | 148.6 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | trans | 82.2 | 110.7 | 142.8 | 71.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 614 | K | 29.7 | Very low | 28.8 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 80% | 0.796 | 80% | 0.796 | S | S | * | * | 52.3 | 114.3 | 122.7 | -57.7 | 172.8 | -177.8 | 175.8 | 0 | 117.9 | |||||
| 615 | N | 29.4 | Very low | 28.3 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | 175 | 150.8 | 74.2 | -97 | -48.3 | 0 | 0 | 0 | 113.1 | |||||
| 616 | R | 28.7 | Very low | 27.9 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | 59.6 | 120.7 | 158.6 | -61.1 | 172.4 | -176.2 | -167.3 | -0.9 | 117.2 | ||||
| 617 | L | 25.8 | Very low | 27.8 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | cis | 74.6 | 101 | 39.2 | -165.6 | 150.5 | 0 | 0 | 0 | 114.6 | ||||
| 618 | V | 32.1 | Very low | 27.9 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -159.4 | 146.9 | 141.6 | 159.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 619 | H | 27.3 | Very low | 28 | Very low | 161 Ų | 161 | 152.5 Ų | 152.5 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -70.9 | 151.5 | 175.4 | -75.6 | -104.5 | 0 | 0 | 0 | 114 | ||||
| 620 | L | 28.9 | Very low | 27.8 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | -167.8 | 162.6 | 102.9 | -135 | 66.4 | 0 | 0 | 0 | 111.7 | |||||
| 621 | D | 25.5 | Very low | 27.7 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | trans | -77.5 | 140.7 | -174.7 | -46.1 | -89.6 | 0 | 0 | 0 | 113.3 | ||||
| 622 | N | 25.4 | Very low | 27.7 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 168.3 | 155.7 | 132.8 | -94.6 | -64.7 | 0 | 0 | 0 | 113 | ||||
| 623 | Q | 27 | Very low | 27.5 | Very low | 166 Ų | 166 | 158.3 Ų | 158.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 63.3 | 108.3 | 154.6 | -72 | 167.6 | -9.9 | 0 | 0 | 120.7 | ||||
| 624 | D | 26.1 | Very low | 27.4 | Very low | 144 Ų | 144 | 157.6 Ų | 157.6 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | 46.3 | 106.4 | 123.2 | -58.7 | -51.8 | 0 | 0 | 0 | 121.5 | |||||
| 625 | C | 24.6 | Very low | 27.1 | Very low | 104 Ų | 104 | 156.3 Ų | 156.3 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | 52.6 | 117.3 | 115.6 | -78.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 626 | F | 25.8 | Very low | 27 | Very low | 184 Ų | 184 | 155.3 Ų | 155.3 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | trans | 61.3 | 119 | 150.7 | -70.1 | -84.2 | 0 | 0 | 0 | 120.2 | ||||
| 627 | H | 29.8 | Very low | 26.7 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | -153.2 | 144.3 | 111.3 | -101 | -61.7 | 0 | 0 | 0 | 110.7 | |||||
| 628 | K | 28.6 | Very low | 26.8 | Very low | 198 Ų | 198 | 146.9 Ų | 146.9 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -130.5 | 127.4 | -176.7 | -166.3 | 176.7 | -175 | 178.6 | 0 | 109.3 | ||||
| 629 | H | 29.1 | Very low | 26.4 | Very low | 162 Ų | 162 | 145.9 Ų | 145.9 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | -91.3 | 140.7 | -171.8 | -100.4 | -95.2 | 0 | 0 | 0 | 114.2 | ||||
| 630 | D | 26.8 | Very low | 26.4 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | trans | 58.6 | 111.4 | 144.1 | -58.2 | -33.6 | 0 | 0 | 0 | 123.8 | ||||
| 631 | I | 25.4 | Very low | 26.3 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | 54.3 | 116.7 | 120.3 | -55 | 161.7 | 0 | 0 | 0 | 118.5 | |||||
| 632 | K | 28.4 | Very low | 26.4 | Very low | 209 Ų | 209 | 138.9 Ų | 138.9 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -155.2 | 121.9 | 138.6 | -110.5 | 152.2 | -169.1 | 164.9 | 0 | 111.7 | ||||
| 633 | Q | 23.8 | Very low | 26.4 | Very low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | -69.5 | 134.8 | 173.3 | -68.8 | 166.4 | -34.4 | 0 | 0 | 110.6 | ||||
| 634 | G | 26.4 | Very low | 26.5 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -113.7 | 116.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 635 | I | 23.9 | Very low | 26.5 | Very low | 157 Ų | 157 | 135.4 Ų | 135.4 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | trans | -85.2 | 119.8 | 175.4 | -59.9 | 174.4 | 0 | 0 | 0 | 108.7 | I637 | I635-I637 HydrophobicContact CG2-CG1 4.33Š| ||
| 636 | S | 26.8 | Very low | 26.7 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -90.1 | 122.4 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 637 | I | 24.1 | Very low | 26.7 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -116 | 92.4 | 169.1 | -57.9 | 178.9 | 0 | 0 | 0 | 107.5 | I635 V639 | I635-I637 HydrophobicContact CG2-CG1 4.33Å; I637-V639 PolarHBondContact O-N 2.89Å | ||
| 638 | G | 26.2 | Very low | 26.6 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -75.4 | 105.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | N640 | G638-N640 PolarHBondContact O-N 3.03Š| ||
| 639 | V | 25.2 | Very low | 26.5 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | -77.3 | 102.8 | 172.3 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | I637 T641 | I637-V639 PolarHBondContact O-N 2.89Å; V639-T641 HydrophobicContact CG1-CG2 4.25Å; V639-T641 PolarHBondContact O-N 2.83Å | ||
| 640 | N | 27.1 | Very low | 26.6 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | -82.7 | 106.3 | -178.3 | -170.7 | 15.9 | 0 | 0 | 0 | 110.9 | G638 T642 | G638-N640 PolarHBondContact O-N 3.03Å; N640-T642 PolarHBondContact OD1-OG1 2.86Å | ||
| 641 | T | 25.7 | Very low | 26.6 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 53% | 0.528 | 75% | 0.751 | S | S | . | * | trans | -93.9 | -2.8 | -172.4 | 47.4 | 0 | 0 | 0 | 0 | 115 | V639 F643 | V639-T641 HydrophobicContact CG1-CG2 4.25Å; V639-T641 PolarHBondContact O-N 2.83Å; T641-F643 PolarHBondContact O-N 2.92Å | ||
| 642 | T | 27.5 | Very low | 26.8 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 64% | 0.638 | 75% | 0.75 | S | S | * | * | trans | -87.7 | 81 | 175.3 | 37.3 | 0 | 0 | 0 | 0 | 112 | N640 | N640-T642 PolarHBondContact OD1-OG1 2.86Š| ||
| 643 | F | 25.3 | Very low | 26.7 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 64% | 0.64 | 75% | 0.752 | S | S | * | * | trans | -133.9 | 94.2 | 169.6 | -112.3 | -64.7 | 0 | 0 | 0 | 112.6 | T641 | T641-F643 PolarHBondContact O-N 2.92Š| ||
| 644 | V | 30.1 | Very low | 26.8 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -129.7 | 103.7 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 645 | S | 26.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | 27.7 | 105.3 | 149 | -57.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 646 | S | 28.1 | Very low | 27.1 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -154.1 | 70 | 134.9 | 65.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 647 | R | 25.3 | Very low | 27 | Very low | 247 Ų | 247 | 138.6 Ų | 138.6 | 93% | 0.932 | 74% | 0.743 | S | S | * | * | trans | -145.7 | 61.2 | 170.5 | -151.3 | -178.3 | -159.1 | -162.7 | 7.4 | 113 | ||||
| 648 | T | 28.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | trans | -134.8 | 106.5 | 179.7 | 43.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 649 | N | 27 | Very low | 27.1 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | trans | 64.8 | 152.2 | 168.5 | -56.1 | -31.3 | 0 | 0 | 0 | 116 | ||||
| 650 | L | 29.6 | Very low | 27.2 | Very low | 147 Ų | 147 | 143.1 Ų | 143.1 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | cis | -114.1 | 122.2 | 10.7 | -65.3 | 83.9 | 0 | 0 | 0 | 113 | N652 | L650-N652 WeakPolarHBondContact CD2-O 3.4Š| ||
| 651 | K | 26.8 | Very low | 27.1 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | -75.1 | 143.1 | 123 | -76.7 | -172.1 | 175.6 | -174.8 | 0 | 106.1 | |||||
| 652 | N | 29.8 | Very low | 27.1 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 103.7 | 80.4 | -167.2 | -59.2 | 0.4 | 0 | 0 | 0 | 112.2 | L650 | L650-N652 WeakPolarHBondContact CD2-O 3.4Š| ||
| 653 | K | 26.9 | Very low | 27.1 | Very low | 218 Ų | 218 | 145.1 Ų | 145.1 | 95% | 0.948 | 77% | 0.766 | S | S | * | * | trans | -112.5 | 43.3 | 164 | -157.4 | -178.8 | -176.2 | -177.7 | 0 | 109.9 | ||||
| 654 | E | 27 | Very low | 27.1 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -147.3 | 154.1 | -178.2 | -100.3 | -179.5 | -169.8 | 0 | 0 | 109.6 | ||||
| 655 | Q | 27.2 | Very low | 27.1 | Very low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | 75.6 | 117.9 | 176.2 | -58.1 | -166.6 | 2.5 | 0 | 0 | 118.7 | ||||
| 656 | L | 27.4 | Very low | 27.2 | Very low | 141 Ų | 141 | 147 Ų | 147 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 52.7 | 120.8 | 148.2 | -72.8 | 89.7 | 0 | 0 | 0 | 118 | ||||
| 657 | S | 24.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | 57.9 | 126.2 | 21.9 | 81.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 658 | N | 26.6 | Very low | 27.4 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 71.1 | 150.2 | -167.1 | -52.3 | -28.8 | 0 | 0 | 0 | 113.6 | ||||
| 659 | T | 26.6 | Very low | 27.2 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | cis | -150.6 | 153.8 | 17.7 | -28.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 660 | Q | 27.5 | Very low | 27.3 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | 68.2 | 112.9 | 147.2 | -92.6 | 150.3 | -7.5 | 0 | 0 | 122.2 | ||||
| 661 | S | 24.7 | Very low | 27.1 | Very low | 84 Ų | 84 | 150.1 Ų | 150.1 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | -50.5 | 152.9 | 139.4 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | D663 | S661-D663 PolarHBondContact OG-OD1 2.99Å; S661-D663 VanDerWaalsContact OG-OD1 3.08Å | ||
| 662 | C | 26.6 | Very low | 27.2 | Very low | 128 Ų | 128 | 146.4 Ų | 146.4 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -115.6 | 113.5 | 154.5 | -75.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 663 | D | 25.7 | Very low | 27.2 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -78.8 | -178.4 | -175.2 | -60.5 | -49.8 | 0 | 0 | 0 | 113.4 | S661 | S661-D663 PolarHBondContact OG-OD1 2.99Å; S661-D663 VanDerWaalsContact OG-OD1 3.08Å | ||
| 664 | S | 27.3 | Very low | 27 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 89.3 | 146.6 | 161.4 | 88.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 665 | M | 29.8 | Very low | 27.1 | Very low | 174 Ų | 174 | 139.7 Ų | 139.7 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | cis | -122.5 | 150.8 | 4.5 | -82.4 | -166.2 | 75.2 | 0 | 0 | 114.2 | ||||
| 666 | N | 27.2 | Very low | 27.1 | Very low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -81.8 | 146.7 | 171.1 | 179.4 | 22.2 | 0 | 0 | 0 | 111.3 | ||||
| 667 | N | 27.6 | Very low | 27.1 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | 171.9 | 150.7 | 126.4 | -91.9 | -33.2 | 0 | 0 | 0 | 116.7 | |||||
| 668 | Q | 30.5 | Very low | 27.4 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 71.8 | 105.3 | 146.8 | -74 | 167.7 | -5.1 | 0 | 0 | 121.3 | ||||
| 669 | D | 24.8 | Very low | 27.5 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | 27.4 | 129.2 | 121.1 | -64.4 | -63.9 | 0 | 0 | 0 | 120.2 | |||||
| 670 | M | 29.3 | Very low | 27.7 | Very low | 174 Ų | 174 | 146.9 Ų | 146.9 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | -168.2 | 146.2 | 104.9 | -104.5 | -68.7 | -127.4 | 0 | 0 | 115.1 | |||||
| 671 | R | 24.5 | Very low | 27.5 | Very low | 233 Ų | 233 | 149.6 Ų | 149.6 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -62.2 | 147 | -177.4 | -57 | 157 | 175.1 | 173.4 | -3.2 | 113.8 | ||||
| 672 | S | 30.5 | Very low | 28 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -149.7 | 168.8 | 148 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 673 | L | 28.7 | Very low | 28.1 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -69.5 | 150.9 | -159.6 | -75 | 60.7 | 0 | 0 | 0 | 113.5 | ||||
| 674 | V | 23.8 | Very low | 28.3 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | 77.5 | 91.4 | 39.7 | -177.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 675 | S | 27.9 | Very low | 28.4 | Very low | 101 Ų | 101 | 148.8 Ų | 148.8 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 174.7 | 117.7 | 135.1 | -83.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 676 | K | 27.4 | Very low | 28.2 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | 67.3 | 114.9 | 79.4 | -70.1 | 175.7 | 177 | 175.4 | 0 | 115.2 | |||||
| 677 | R | 28.1 | Very low | 28.4 | Very low | 222 Ų | 222 | 147 Ų | 147 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | 172.7 | 126.8 | 107.4 | -95.9 | 167.9 | 177.1 | 172.3 | 1.2 | 114.7 | |||||
| 678 | K | 29.8 | Very low | 28.5 | Very low | 190 Ų | 190 | 148.7 Ų | 148.7 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | 62.1 | 154.4 | 148 | -60 | -178.6 | 176.4 | -170.7 | 0 | 117.3 | ||||
| 679 | S | 30.1 | Very low | 28.4 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | -170.5 | 147.7 | -20.6 | 46.3 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 680 | S | 29.2 | Very low | 28.5 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -160.8 | 177.3 | 36.8 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 681 | Y | 24.6 | Very low | 28.6 | Very low | 227 Ų | 227 | 148.2 Ų | 148.2 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | trans | -132 | -179.5 | -179.8 | -101.6 | -65.4 | 0 | 0 | 0 | 107.6 | ||||
| 682 | P | 35.1 | Very low | 28.9 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 59% | 0.591 | 77% | 0.765 | S | S | * | * | cis | -137.7 | -154 | -23.1 | 36.8 | -15 | 0 | 0 | 0 | 112.2 | ||||
| 683 | N | 28 | Very low | 28.9 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | 71.6 | 157.7 | 150 | -76.2 | 31.3 | 0 | 0 | 0 | 118.9 | ||||
| 684 | D | 30 | Very low | 28.9 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | cis | -155.5 | 166.8 | 2.9 | -126.1 | -32.6 | 0 | 0 | 0 | 114.8 | ||||
| 685 | S | 29.8 | Very low | 29.2 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 66 | 143.1 | 159.2 | 67.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 686 | L | 26.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | cis | 93.7 | 105.2 | 22 | -85.4 | 151.7 | 0 | 0 | 0 | 118.1 | ||||
| 687 | S | 31.1 | Very low | 29.1 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -176.4 | 120.6 | 142.1 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 688 | I | 28.6 | Very low | 29.1 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | 70.2 | 128.9 | 86.8 | -61.3 | 157 | 0 | 0 | 0 | 111.2 | |||||
| 689 | V | 29.6 | Very low | 29 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | cis | -142.1 | 162.6 | 39.8 | -169.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 690 | Q | 25.2 | Very low | 28.7 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | -109 | 146 | 169.3 | -54.2 | 161.1 | -74.4 | 0 | 0 | 112.8 | ||||
| 691 | H | 31.8 | Very low | 28.8 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -152.9 | 146.6 | 146.4 | -79 | -77.1 | 0 | 0 | 0 | 108.1 | ||||
| 692 | H | 30.2 | Very low | 29 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 68% | 0.676 | 73% | 0.733 | S | S | * | * | cis | 148.2 | 140.1 | -14 | -125.3 | -68.7 | 0 | 0 | 0 | 106.4 | ||||
| 693 | N | 31.7 | Very low | 28.8 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 64% | 0.642 | 74% | 0.735 | S | S | * | * | trans | 79.1 | 96.7 | 157 | -61.2 | -11.5 | 0 | 0 | 0 | 121.2 | ||||
| 694 | N | 29.5 | Very low | 28.9 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | 60.7 | 131.3 | 107 | -59 | -1.6 | 0 | 0 | 0 | 122.3 | |||||
| 695 | N | 28.4 | Very low | 29 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 88.7 | 133.1 | 132.5 | -82.3 | 0.8 | 0 | 0 | 0 | 122.3 | ||||
| 696 | V | 29.2 | Very low | 29.2 | Very low | 117 Ų | 117 | 145 Ų | 145 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | 77.1 | 112.8 | 142.6 | 172.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 697 | T | 24.5 | Very low | 29.4 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -16.2 | 144.7 | 148.9 | 33.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 698 | Y | 27.6 | Very low | 29.5 | Very low | 206 Ų | 206 | 143.2 Ų | 143.2 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | -170.8 | 127.6 | 114.7 | -113.4 | -86.8 | 0 | 0 | 0 | 113.6 | |||||
| 699 | T | 28.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | 48.3 | 118.9 | 147.3 | 49 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 700 | R | 24.4 | Very low | 29.7 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | 58.1 | 119.4 | 107.7 | -169.4 | -167.4 | -165 | 167.7 | 7.6 | 119.9 | |||||
| 701 | R | 29.8 | Very low | 29.9 | Very low | 216 Ų | 216 | 141.6 Ų | 141.6 | 82% | 0.815 | 73% | 0.728 | S | S | * | * | -167.7 | 125.1 | 120.4 | -79.9 | -152.8 | -177.2 | 73.5 | -1.5 | 107.9 | |||||
| 702 | D | 30.1 | Very low | 29.5 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | 69.8 | 132.8 | 90.8 | -45.2 | -26.4 | 0 | 0 | 0 | 112 | |||||
| 703 | A | 30.4 | Very low | 29.4 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | cis | -157.5 | 176.8 | -4.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 704 | F | 30.1 | Very low | 29.2 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | cis | -151.6 | 133 | 33.3 | -94.7 | -85.9 | 0 | 0 | 0 | 112.7 | ||||
| 705 | T | 32.2 | Very low | 29 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | 34 | 136.3 | 129.4 | 61.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 706 | N | 33.2 | Very low | 29.1 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | cis | -167.5 | -178.8 | 27.4 | -114.4 | 9.1 | 0 | 0 | 0 | 108.8 | ||||
| 707 | S | 32.2 | Very low | 28.8 | Very low | 89 Ų | 89 | 140.2 Ų | 140.2 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | cis | -174.7 | 165.4 | -14.3 | 45.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 708 | D | 32.9 | Very low | 29.3 | Very low | 141 Ų | 141 | 140.2 Ų | 140.2 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | cis | -156.5 | 164.1 | -22.7 | -97 | -33.6 | 0 | 0 | 0 | 108.9 | ||||
| 709 | P | 36.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | trans | -139.4 | -159.8 | -142.4 | 38 | -15.9 | 0 | 0 | 0 | 116.8 | ||||
| 710 | I | 26.7 | Very low | 29.3 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | trans | 80.8 | 124.7 | 155.4 | -67.6 | 163.1 | 0 | 0 | 0 | 119.2 | ||||
| 711 | L | 28.4 | Very low | 29.4 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 88% | 0.88 | 73% | 0.732 | S | S | * | * | -159.3 | 150.2 | 116.6 | -103.4 | 172.2 | 0 | 0 | 0 | 111.5 | |||||
| 712 | Q | 24.3 | Very low | 29.4 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -132.8 | 159.9 | -177.3 | -68.6 | -174.5 | -4.6 | 0 | 0 | 111.5 | ||||
| 713 | L | 28 | Very low | 29.3 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | 179 | 118.5 | 143.2 | -91.3 | 154.8 | 0 | 0 | 0 | 106.2 | ||||
| 714 | K | 26.1 | Very low | 29.4 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | 53.8 | 133.3 | 78.7 | -67.5 | -175.2 | 177.8 | 178.6 | 0 | 114.3 | |||||
| 715 | S | 26.5 | Very low | 29.5 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | cis | -170.6 | 177.5 | -5.8 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 716 | S | 29.8 | Very low | 29.4 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 70.5 | 103.5 | 150 | 45.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 717 | S | 23.7 | Very low | 29.3 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -54.2 | -169.7 | 151 | -19.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 718 | P | 35 | Very low | 29.3 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | cis | -137.2 | -161.8 | -32.8 | 26.8 | -2 | 0 | 0 | 0 | 114.1 | ||||
| 719 | V | 27.3 | Very low | 29.2 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | trans | 101.9 | 123.6 | 148.8 | -172.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 720 | H | 28.7 | Very low | 28.8 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 82% | 0.819 | 77% | 0.765 | S | S | * | * | trans | 61.5 | 157.6 | 157.4 | -69.3 | -20.4 | 0 | 0 | 0 | 120.4 | ||||
| 721 | S | 26.8 | Very low | 29 | Very low | 87 Ų | 87 | 142.1 Ų | 142.1 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | cis | -171.6 | 158.4 | -25.5 | 63.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 722 | K | 28.3 | Very low | 29.1 | Very low | 211 Ų | 211 | 139.7 Ų | 139.7 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | trans | 69.6 | 134.1 | 156 | -68.6 | 174 | 175.7 | 176.9 | 0 | 121.4 | ||||
| 723 | G | 29.1 | Very low | 29.2 | Very low | 63 Ų | 63 | 139.2 Ų | 139.2 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | 161.8 | 112.7 | 162 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 724 | I | 31.7 | Very low | 29.4 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | 67.3 | 115.9 | 74.6 | -65.1 | 170.4 | 0 | 0 | 0 | 109.9 | |||||
| 725 | K | 33.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 136.9 Ų | 136.9 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | cis | -153.8 | 146.2 | 12.8 | -107.3 | 171.8 | 174.6 | -177.7 | 0 | 110.9 | ||||
| 726 | E | 28.2 | Very low | 29.7 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | 48.8 | 107.6 | 93 | -57.1 | -175.9 | 123.5 | 0 | 0 | 117.4 | |||||
| 727 | A | 32.7 | Very low | 29.7 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | trans | -170.7 | 130.2 | 138.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 728 | N | 32.5 | Very low | 29.9 | Very low | 145 Ų | 145 | 150 Ų | 150 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 24.3 | 122.8 | 158.8 | -53.2 | -16.7 | 0 | 0 | 0 | 120.5 | ||||
| 729 | I | 29.3 | Very low | 29.7 | Very low | 138 Ų | 138 | 148.4 Ų | 148.4 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | cis | 75.2 | 107.6 | 41.5 | -52.1 | 172.4 | 0 | 0 | 0 | 114 | ||||
| 730 | Q | 27.3 | Very low | 29.7 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | 54.1 | 103.8 | 151.1 | -63.2 | 163.1 | -14.3 | 0 | 0 | 120.5 | ||||
| 731 | Q | 31.4 | Very low | 29.8 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | -146.3 | 120.8 | 126.2 | -103.1 | 175.4 | -6.8 | 0 | 0 | 107.7 | |||||
| 732 | V | 30.1 | Very low | 29.8 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | 68.3 | 98.2 | 89.2 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 733 | L | 28.2 | Very low | 29.9 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | 55.5 | 128 | 87.3 | -84 | 168.2 | 0 | 0 | 0 | 114.5 | |||||
| 734 | N | 30.9 | Very low | 30 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 92.4 | 130.2 | 166.7 | -53.6 | -38.8 | 0 | 0 | 0 | 119.4 | ||||
| 735 | N | 31.4 | Very low | 29.7 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | 78.8 | 97.3 | 143.1 | -60.3 | -17.2 | 0 | 0 | 0 | 122.5 | ||||
| 736 | R | 26.9 | Very low | 29.6 | Very low | 232 Ų | 232 | 132.4 Ų | 132.4 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | 43 | 114.5 | 110.8 | -100.8 | -178.5 | 174.3 | 170.9 | -1.9 | 119 | |||||
| 737 | M | 30.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | 147.5 | 112.6 | 113.6 | -75.5 | -113.3 | -71.3 | 0 | 0 | 116.4 | |||||
| 738 | R | 29.4 | Very low | 29.6 | Very low | 205 Ų | 205 | 133.6 Ų | 133.6 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | trans | 61.8 | 150.8 | 130.2 | -120.2 | -179.8 | -175.3 | 175.8 | 0.9 | 123.4 | ||||
| 739 | C | 29.6 | Very low | 29.5 | Very low | 81 Ų | 81 | 133.5 Ų | 133.5 | 55% | 0.547 | 73% | 0.733 | S | S | . | * | trans | 91.7 | 71 | 151.8 | -64.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 740 | D | 28.6 | Very low | 29.5 | Very low | 43 Ų | 43 | 131.2 Ų | 131.2 | 23% | 0.23 | 73% | 0.73 | C | S | . | * | 34.7 | 143.8 | 115.5 | -27.5 | -57.8 | 0 | 0 | 0 | 123.9 | T1046 L1047 T1048 | D740-T1046 VanDerWaalsContact CB-CB 3.46Å; D740-T1046 HydrophobicContact CB-CG2 4.08Å; D740-L1047 WeakPolarHBondContact OD1-CA 3.21Å; D740-T1048 HydrophobicContact CB-CG2 3.93Å; D740-T1048 PolarHBondContact OD1-N 3.27Å; D740-T1048 PolarHBondContact OD1-OG1 3.13Å | |||
| 741 | S | 29.2 | Very low | 29.6 | Very low | 57 Ų | 57 | 129.4 Ų | 129.4 | 40% | 0.399 | 73% | 0.726 | S | S | . | * | 153.6 | 135.6 | 110.6 | -159.7 | 0 | 0 | 0 | 0 | 116.8 | Q1044 T1046 | S741-Q1044 PolarHBondContact OG-OE1 2.8Å; S741-T1046 WeakPolarHBondContact CB-OG1 3.4Å; S741-T1046 PolarHBondContact OG-OG1 2.89Å; S741-T1046 VanDerWaalsContact OG-OG1 3.13Å | |||
| 742 | A | 27 | Very low | 29.4 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | 40.3 | 125 | 153 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 743 | A | 31.6 | Very low | 29.4 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 73% | 0.725 | S | S | * | * | trans | -167.4 | 126.4 | 132 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 744 | S | 30.4 | Very low | 29.5 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | 27.8 | 130.8 | 148.2 | -51.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 745 | A | 25.8 | Very low | 29.3 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | trans | -83.8 | 168.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 746 | P | 30.9 | Very low | 29.1 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | -146.1 | 154.1 | 100 | 38.8 | -24.2 | 0 | 0 | 0 | 116.7 | |||||
| 747 | H | 27.8 | Very low | 29.1 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | trans | -80.7 | 155.3 | 160.3 | -99.2 | -53.6 | 0 | 0 | 0 | 110.2 | ||||
| 748 | P | 33 | Very low | 29 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | -156.5 | 172.9 | 82.6 | 42.7 | -23.1 | 0 | 0 | 0 | 118.8 | |||||
| 749 | N | 30.7 | Very low | 28.9 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | 71 | 104.7 | 144.3 | -74.5 | 11.2 | 0 | 0 | 0 | 123.1 | ||||
| 750 | S | 28.4 | Very low | 28.9 | Very low | 90 Ų | 90 | 128.8 Ų | 128.8 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | 72 | 120.4 | 116 | 70.5 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 751 | D | 29.5 | Very low | 28.7 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | 88.9 | 132.1 | 137.1 | -56.6 | -10.2 | 0 | 0 | 0 | 121.8 | ||||
| 752 | N | 29 | Very low | 28.7 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 82.4 | 146.4 | 159.1 | -66.6 | -54.8 | 0 | 0 | 0 | 121.3 | ||||
| 753 | I | 30.1 | Very low | 28.6 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | 86.5 | 82 | 161.5 | -57 | 139.8 | 0 | 0 | 0 | 118.3 | ||||
| 754 | T | 29.2 | Very low | 28.4 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | 50.6 | 107.6 | 107.7 | -46.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 755 | K | 27.3 | Very low | 28.2 | Very low | 182 Ų | 182 | 145 Ų | 145 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 69.9 | 145.2 | 141.4 | -71.7 | -179.5 | 176.3 | 179.7 | 0 | 122.5 | ||||
| 756 | N | 26.8 | Very low | 28.3 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | trans | 82.9 | 145 | 153.8 | -63.1 | -10.5 | 0 | 0 | 0 | 118.9 | ||||
| 757 | F | 26.7 | Very low | 28.1 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | trans | 65.6 | 136.3 | -174.8 | -47.2 | -81.3 | 0 | 0 | 0 | 112.8 | ||||
| 758 | F | 29 | Very low | 28 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | cis | -120.6 | 136.7 | 22.7 | -92.4 | -120.6 | 0 | 0 | 0 | 114.5 | Q760 | F758-Q760 HydrophobicContact CD1-CB 4.17Å; F758-Q760 HydrophobicContact CD1-CG 3.83Å; F758-Q760 HydrophobicContact CE1-CG 4.17Å | ||
| 759 | N | 26.3 | Very low | 27.5 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -103.6 | 115.2 | 141.4 | -95.8 | -19.3 | 0 | 0 | 0 | 106.4 | ||||
| 760 | Q | 29.3 | Very low | 27.2 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -141 | 138.6 | 160.6 | -83.5 | -166.3 | -21.6 | 0 | 0 | 110.4 | F758 | F758-Q760 HydrophobicContact CD1-CB 4.17Å; F758-Q760 HydrophobicContact CD1-CG 3.83Å; F758-Q760 HydrophobicContact CE1-CG 4.17Å | ||
| 761 | E | 25.7 | Very low | 26.9 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 64% | 0.64 | 76% | 0.76 | S | S | * | * | trans | -72 | 138.2 | 177.9 | -57.7 | 170.1 | 84.9 | 0 | 0 | 111 | R763 | E761-R763 VanDerWaalsContact OE1-CD 3.27Å; E761-R763 WeakPolarHBondContact OE1-CD 3.42Å; E761-R763 IonicContact OE1-CZ 2.81Å; E761-R763 VanDerWaalsContact OE1-CZ 3.23Å; E761-R763 IonicContact OE1-NE 3.25Å; E761-R763 PolarHBondContact OE1-NE 2.74Å; E761-R763 IonicContact OE1-NH1 2.63Å; E761-R763 PolarHBondContact OE1-NH1 3.27Å; E761-R763 IonicContact OE2-NH1 2.65Å | ||
| 762 | L | 28.4 | Very low | 26.8 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 96% | 0.963 | 76% | 0.763 | S | S | * | * | trans | -103.8 | 84 | 154 | -79.7 | 174.3 | 0 | 0 | 0 | 109.4 | ||||
| 763 | R | 24.4 | Very low | 26.6 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | trans | -90.3 | 108.8 | 169.7 | -92.5 | -180 | 159.7 | 147.7 | -13.4 | 110.8 | E761 | E761-R763 VanDerWaalsContact OE1-CD 3.27Å; E761-R763 WeakPolarHBondContact OE1-CD 3.42Å; E761-R763 IonicContact OE1-CZ 2.81Å; E761-R763 VanDerWaalsContact OE1-CZ 3.23Å; E761-R763 IonicContact OE1-NE 3.25Å; E761-R763 PolarHBondContact OE1-NE 2.74Å; E761-R763 IonicContact OE1-NH1 2.63Å; E761-R763 PolarHBondContact OE1-NH1 3.27Å; E761-R763 IonicContact OE2-NH1 2.65Å | ||
| 764 | T | 28.7 | Very low | 26.4 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | -142 | 97.1 | 154.2 | 47.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 765 | S | 25.9 | Very low | 26.3 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | 71.9 | 132.2 | 83.3 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 766 | S | 26.8 | Very low | 26.3 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | cis | -162.4 | 152.6 | 24.3 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 767 | S | 26.8 | Very low | 26.3 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 66.8 | 153.7 | 151.7 | 74.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 768 | I | 25.4 | Very low | 26.2 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | cis | -130.9 | 143.2 | 7 | -63.9 | 170.3 | 0 | 0 | 0 | 108.7 | ||||
| 769 | P | 23.1 | Very low | 26.2 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -81.2 | 144.2 | 173 | 33.5 | -34.7 | 0 | 0 | 0 | 112.6 | ||||
| 770 | I | 24.1 | Very low | 26.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -129.2 | 117.5 | 162.2 | -56.5 | -179.5 | 0 | 0 | 0 | 108.7 | F772 | I770-F772 HydrophobicContact CG2-CD2 3.68Å; I770-F772 HydrophobicContact CG2-CE2 3.46Å; I770-F772 VanDerWaalsContact CG2-CE2 3.46Å; I770-F772 HydrophobicContact CG2-CG 4.43Å; I770-F772 HydrophobicContact CG2-CZ 4.05Å | ||
| 771 | V | 21.9 | Very low | 26 | Very low | 120 Ų | 120 | 145 Ų | 145 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -91.2 | 129.8 | 164 | 175.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 772 | F | 27.1 | Very low | 25.9 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -110.7 | 138.5 | 161.3 | -84.2 | -66.1 | 0 | 0 | 0 | 109.5 | I770 | I770-F772 HydrophobicContact CG2-CD2 3.68Å; I770-F772 HydrophobicContact CG2-CE2 3.46Å; I770-F772 VanDerWaalsContact CG2-CE2 3.46Å; I770-F772 HydrophobicContact CG2-CG 4.43Å; I770-F772 HydrophobicContact CG2-CZ 4.05Å | ||
| 773 | H | 26.2 | Very low | 25.8 | Very low | 173 Ų | 173 | 145 Ų | 145 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | -76.7 | 153.6 | -174.5 | -89.4 | -94.4 | 0 | 0 | 0 | 112.4 | ||||
| 774 | E | 25.6 | Very low | 25.9 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -54.2 | 138.8 | 157.7 | -55.2 | 165.6 | 115.5 | 0 | 0 | 110.2 | ||||
| 775 | K | 26.5 | Very low | 25.8 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | -176.7 | 141.9 | 116.8 | -105.3 | -178.6 | 171.3 | -156.1 | 0 | 114.2 | |||||
| 776 | D | 26.8 | Very low | 25.9 | Very low | 122 Ų | 122 | 142 Ų | 142 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | trans | 59.3 | 139.9 | 151.2 | -46.3 | -28.4 | 0 | 0 | 0 | 116.8 | ||||
| 777 | D | 28.1 | Very low | 26.1 | Very low | 165 Ų | 165 | 146.1 Ų | 146.1 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | cis | -111.6 | 153.9 | 13.7 | -79.1 | -55.4 | 0 | 0 | 0 | 114.9 | ||||
| 778 | C | 25 | Very low | 26.2 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | trans | -101.5 | 134.2 | 171.6 | -55.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 779 | I | 28.4 | Very low | 26.2 | Very low | 160 Ų | 160 | 147 Ų | 147 | 82% | 0.821 | 75% | 0.753 | S | S | * | * | trans | -116.4 | 115.5 | 150.9 | -63.9 | -178.1 | 0 | 0 | 0 | 108 | ||||
| 780 | N | 25.6 | Very low | 26.4 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 65% | 0.652 | 75% | 0.754 | S | S | * | * | trans | -82.6 | 131.5 | 179.7 | -77.1 | -100.2 | 0 | 0 | 0 | 110.2 | ||||
| 781 | Y | 25.3 | Very low | 26.7 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 70% | 0.698 | 76% | 0.762 | S | S | * | * | trans | -107.8 | 109.8 | 144 | -95.4 | -84.3 | 0 | 0 | 0 | 109.4 | I858 | Y781-I858 HydrophobicContact CD1-CD1 4.44Å; Y781-I858 HydrophobicContact CE1-CD1 3.71Å; Y781-I858 HydrophobicContact CE1-CG1 4.38Å; Y781-I858 HydrophobicContact CE2-CD1 4.01Å; Y781-I858 VanDerWaalsContact CZ-CD1 3.47Å; Y781-I858 WeakPolarHBondContact OH-CD1 3.23Å; Y781-I858 WeakPolarHBondContact OH-CG2 3.37Å | ||
| 782 | R | 24.9 | Very low | 26.9 | Very low | 211 Ų | 211 | 154 Ų | 154 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | -80.6 | 137.3 | 177.3 | -88.7 | -179.2 | 168.6 | 174.6 | -4.1 | 110.5 | ||||
| 783 | V | 25 | Very low | 26.9 | Very low | 110 Ų | 110 | 151.8 Ų | 151.8 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | 34.5 | 118.6 | 128.8 | -171.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 784 | D | 26.4 | Very low | 27 | Very low | 133 Ų | 133 | 154.6 Ų | 154.6 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -132 | 56 | 133.5 | -156.3 | 12.9 | 0 | 0 | 0 | 111.5 | N786 | D784-N786 VanDerWaalsContact C-N 3.26Å; D784-N786 PolarHBondContact O-N 2.93Å | ||
| 785 | S | 26.7 | Very low | 27.1 | Very low | 99 Ų | 99 | 157.7 Ų | 157.7 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -79.5 | 61.3 | 177.3 | -51.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 786 | N | 28.1 | Very low | 27.2 | Very low | 143 Ų | 143 | 155.1 Ų | 155.1 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -167.7 | 73.2 | 170.8 | -104.4 | -27.8 | 0 | 0 | 0 | 116.2 | D784 | D784-N786 VanDerWaalsContact C-N 3.26Å; D784-N786 PolarHBondContact O-N 2.93Å | ||
| 787 | K | 31.2 | Very low | 27.1 | Very low | 184 Ų | 184 | 154.8 Ų | 154.8 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -139 | 129.5 | 155.5 | -70 | -172.4 | 179.1 | 151.4 | 0 | 112.4 | ||
| 788 | N | 28.3 | Very low | 27.3 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 53.8 | 84.2 | 176.3 | -78.7 | 14.8 | 0 | 0 | 0 | 119.2 | E790 | N788-E790 VanDerWaalsContact C-N 3.25Å; N788-E790 PolarHBondContact O-N 2.88Å | ||
| 789 | P | 26.7 | Very low | 27.6 | Very low | 127 Ų | 127 | 158.9 Ų | 158.9 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 62.3 | 155.6 | 36.7 | -34.5 | 0 | 0 | 0 | 111.5 | ||||
| 790 | E | 27.6 | Very low | 27.6 | Very low | 171 Ų | 171 | 158 Ų | 158 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -160.7 | 90.2 | 172.5 | -127.3 | 173.6 | -137.2 | 0 | 0 | 113 | N788 | N788-E790 VanDerWaalsContact C-N 3.25Å; N788-E790 PolarHBondContact O-N 2.88Å | ||
| 791 | N | 29.6 | Very low | 27.7 | Very low | 157 Ų | 157 | 159.7 Ų | 159.7 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -165.2 | 39.5 | 155.3 | -111.1 | -67.5 | 0 | 0 | 0 | 112.8 | ||||
| 792 | F | 26.4 | Very low | 28 | Very low | 192 Ų | 192 | 156.4 Ų | 156.4 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -88 | 122.1 | 165.7 | -157.5 | -109 | 0 | 0 | 0 | 107.7 | ||
| 793 | I | 27.4 | Very low | 28.4 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 67.9 | 83.4 | 175.8 | -44.7 | 163 | 0 | 0 | 0 | 116.1 | ||
| 794 | R | 27 | Very low | 29 | Very low | 232 Ų | 232 | 153.3 Ų | 153.3 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -177.5 | 99.8 | 134.2 | -108.3 | 174.2 | 171.5 | 178.5 | -1.6 | 115.1 | ||||
| 795 | R | 28.5 | Very low | 29.4 | Very low | 246 Ų | 246 | 153 Ų | 153 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 179.6 | 121.4 | 147.8 | -99.8 | -178.6 | -158.7 | -171.4 | 7.5 | 108.1 | ||
| 796 | V | 28 | Very low | 29.8 | Very low | 119 Ų | 119 | 156.4 Ų | 156.4 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | -139.5 | 130.7 | -17 | 175.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 797 | S | 25.9 | Very low | 30 | Very low | 116 Ų | 116 | 159 Ų | 159 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -105.2 | 125 | 167.7 | -51.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 798 | N | 30.7 | Very low | 30.1 | Very low | 134 Ų | 134 | 153.3 Ų | 153.3 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 176.8 | 130.1 | 172.8 | -98.4 | -37.6 | 0 | 0 | 0 | 106.3 | ||||
| 799 | R | 31.1 | Very low | 30.5 | Very low | 218 Ų | 218 | 153.4 Ų | 153.4 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | cis | -136.9 | 146.8 | 9 | -79.2 | 169.5 | -179.8 | 165.5 | -1.8 | 107.6 | ||||
| 800 | L | 29.5 | Very low | 30.8 | Very low | 140 Ų | 140 | 155.1 Ų | 155.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | 48.3 | 128.9 | 80 | -54.4 | 173.3 | 0 | 0 | 0 | 112.6 | |||||
| 801 | Q | 28 | Very low | 31.2 | Very low | 159 Ų | 159 | 152.5 Ų | 152.5 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | -173.5 | 155.8 | -3.1 | -139.4 | 168.6 | -18.3 | 0 | 0 | 108.9 | ||||
| 802 | S | 31.4 | Very low | 31.2 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 56.6 | 150.5 | 158.1 | 53.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 803 | D | 32.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 145.3 Ų | 145.3 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | cis | -155.6 | 170.3 | -21.3 | -130 | 20.8 | 0 | 0 | 0 | 108.3 | ||||
| 804 | P | 37.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 144 Ų | 144 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -98.6 | 174.5 | -163.1 | 38.9 | -37.6 | 0 | 0 | 0 | 114.8 | ||||
| 805 | N | 36 | Very low | 31.6 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | trans | -170.4 | 132.7 | 131 | -109 | -85.1 | 0 | 0 | 0 | 115 | ||||
| 806 | K | 34 | Very low | 31.6 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | trans | 61.2 | 117.6 | 142.9 | -72.2 | 164.1 | -174.5 | 151 | 0 | 123.1 | ||||
| 807 | K | 33 | Very low | 31.7 | Very low | 198 Ų | 198 | 133.4 Ų | 133.4 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 67.4 | 138.2 | 135.6 | -61.9 | -171.3 | 172.2 | -161 | 0 | 119 | ||||
| 808 | G | 33.1 | Very low | 32 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | cis | 174.3 | 179.5 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 809 | D | 36.2 | Very low | 31.9 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | trans | 63.4 | 78.1 | 150.7 | -49.2 | -28.1 | 0 | 0 | 0 | 120.5 | ||||
| 810 | N | 33.6 | Very low | 31.9 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | 65.5 | 162.4 | 127 | -86.2 | -4.1 | 0 | 0 | 0 | 122.5 | |||||
| 811 | P | 35.9 | Very low | 31.9 | Very low | 116 Ų | 116 | 127 Ų | 127 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | -117.2 | 162.7 | -154.1 | 41.9 | -32.6 | 0 | 0 | 0 | 115.9 | ||||
| 812 | S | 30.4 | Very low | 32.1 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -156.6 | 156.1 | 156.8 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 813 | S | 32.5 | Very low | 32 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | 52.8 | 90.3 | 145.2 | 60.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 814 | S | 28.2 | Very low | 31.9 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | 41.3 | 148.5 | 108 | 67.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 815 | A | 28.5 | Very low | 31.6 | Very low | 84 Ų | 84 | 128.3 Ų | 128.3 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | trans | 96.5 | 102 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 816 | T | 28 | Very low | 31.4 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | 55.5 | 122.4 | 120.1 | -41 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 817 | M | 28.7 | Very low | 31.2 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | 178.6 | 148.3 | 115.2 | -97.7 | -58.8 | -114.4 | 0 | 0 | 115.7 | |||||
| 818 | V | 32.8 | Very low | 31.1 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | trans | 74.9 | 132.7 | 147.2 | 169.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 819 | N | 28.5 | Very low | 30.9 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -75.6 | 155.4 | 172.6 | -54.9 | -32.1 | 0 | 0 | 0 | 112.3 | ||||
| 820 | G | 32.3 | Very low | 30.6 | Very low | 79 Ų | 79 | 133.7 Ų | 133.7 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | -144.8 | 125.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 821 | T | 29.5 | Very low | 30.3 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -100.4 | 159.1 | -171.3 | -1.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 822 | E | 31.1 | Very low | 30 | Very low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | 68.9 | 157 | 151.1 | -66 | 164.5 | -143.8 | 0 | 0 | 117.2 | ||||
| 823 | L | 29.7 | Very low | 30 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | cis | -158.1 | 160.5 | -15.3 | -111.3 | 163.7 | 0 | 0 | 0 | 110.1 | ||||
| 824 | T | 31.3 | Very low | 29.9 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | trans | 50.9 | 120 | 154.8 | 47.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 825 | D | 29.6 | Very low | 29.9 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | 44 | 120.2 | 124.3 | -54 | -26.6 | 0 | 0 | 0 | 122.3 | |||||
| 826 | S | 32.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | -175.6 | 160.9 | 107.2 | 42.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 827 | N | 30.4 | Very low | 30 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -92.4 | 136 | -171.5 | -72.8 | -79.4 | 0 | 0 | 0 | 113.8 | ||||
| 828 | C | 30 | Very low | 29.9 | Very low | 106 Ų | 106 | 137 Ų | 137 | 72% | 0.716 | 78% | 0.775 | S | S | * | * | 178.2 | 119 | 115.3 | -95 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 829 | K | 30.4 | Very low | 29.7 | Very low | 183 Ų | 183 | 137 Ų | 137 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | 58.2 | 123.5 | 131.3 | -63.7 | 174.7 | 178.3 | 170.3 | 0 | 122.7 | ||||
| 830 | R | 28.8 | Very low | 29.7 | Very low | 249 Ų | 249 | 133.3 Ų | 133.3 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | trans | 65.7 | 142.9 | 151.7 | -73.5 | -179 | 170.4 | 171.8 | -4.3 | 116.9 | ||||
| 831 | A | 28.6 | Very low | 29.6 | Very low | 80 Ų | 80 | 138.7 Ų | 138.7 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | cis | -155.4 | 174.9 | -16 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 832 | D | 29.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | cis | -163.7 | 168.3 | 23.5 | -138 | -37 | 0 | 0 | 0 | 111.2 | ||||
| 833 | T | 30.2 | Very low | 29.4 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 51.7 | 123.4 | 162.1 | 58.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 834 | G | 29.3 | Very low | 29.4 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 171.5 | 39.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 835 | T | 28.8 | Very low | 29.2 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -78.2 | 125.5 | -162 | -37.2 | 0 | 0 | 0 | 0 | 115.3 | V837 | T835-V837 HydrophobicContact CG2-CG2 3.86Š| ||
| 836 | Y | 27.7 | Very low | 29.2 | Very low | 230 Ų | 230 | 143.6 Ų | 143.6 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -125.6 | 139.6 | 151.9 | -156.2 | -95.2 | 0 | 0 | 0 | 107.6 | ||||
| 837 | V | 30.4 | Very low | 28.9 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -106.2 | 122.1 | -162.8 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | T835 | T835-V837 HydrophobicContact CG2-CG2 3.86Š| ||
| 838 | D | 27.3 | Very low | 28.7 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -104 | 123.1 | 165.9 | 175.9 | 5.5 | 0 | 0 | 0 | 109.4 | S840 | D838-S840 PolarHBondContact OD1-OG 3.34Š| ||
| 839 | P | 27.6 | Very low | 28.5 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -111.3 | 62.7 | -174.9 | 40.9 | -32.8 | 0 | 0 | 0 | 113.8 | ||||
| 840 | S | 28.1 | Very low | 28.4 | Very low | 82 Ų | 82 | 144.9 Ų | 144.9 | 57% | 0.573 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -131.1 | 1.6 | 179.4 | 61.3 | 0 | 0 | 0 | 0 | 118 | D838 | D838-S840 PolarHBondContact OD1-OG 3.34Š|
| 841 | H | 30.8 | Very low | 28.3 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 89% | 0.889 | 79% | 0.79 | S | S | * | * | trans | -141.1 | 112.9 | 167.2 | -79.3 | -60.4 | 0 | 0 | 0 | 113.8 | ||||
| 842 | S | 29.6 | Very low | 28.2 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -151.3 | 105.1 | 155.8 | 65.2 | 0 | 0 | 0 | 0 | 111.4 | N844 | S842-N844 PolarHBondContact O-N 2.99Š| ||
| 843 | T | 26.7 | Very low | 28.1 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -69.2 | 122.8 | 162.4 | 29.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 844 | N | 31 | Very low | 27.9 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -136.2 | 119.6 | 165.2 | -96.7 | -45.9 | 0 | 0 | 0 | 109.9 | S842 | S842-N844 PolarHBondContact O-N 2.99Š| ||
| 845 | Q | 27.1 | Very low | 27.9 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -74.3 | 130.3 | 161.8 | -57.5 | 170.8 | 6.4 | 0 | 0 | 107.3 | ||||
| 846 | L | 29.3 | Very low | 27.8 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 95% | 0.948 | 80% | 0.804 | S | S | * | * | trans | -162.1 | 159.6 | 145.4 | -110 | 163.2 | 0 | 0 | 0 | 110.7 | ||||
| 847 | N | 26.1 | Very low | 27.8 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -121.2 | 162 | -151.6 | -170.3 | 16.1 | 0 | 0 | 0 | 111 | ||||
| 848 | V | 25.8 | Very low | 27.8 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 62% | 0.618 | 79% | 0.789 | S | S | * | * | trans | 71.5 | 114.1 | 164.6 | -165.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 849 | N | 25.2 | Very low | 27.6 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | 41.3 | 110.1 | 146.1 | -48 | -4.2 | 0 | 0 | 0 | 120.3 | ||||
| 850 | Q | 29.1 | Very low | 27.7 | Very low | 206 Ų | 206 | 146 Ų | 146 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | trans | -147.7 | 140.6 | 133.5 | -116 | 166.5 | 22.7 | 0 | 0 | 110.9 | ||||
| 851 | E | 25.3 | Very low | 27.6 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -116.7 | 120.8 | -171.3 | 179.6 | 178.7 | -142.3 | 0 | 0 | 108.6 | ||||
| 852 | L | 27.6 | Very low | 27.5 | Very low | 173 Ų | 173 | 148 Ų | 148 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | 170.4 | 139.5 | 174.2 | -93.8 | 144.3 | 0 | 0 | 0 | 107.6 | ||||
| 853 | A | 26.5 | Very low | 27.2 | Very low | 87 Ų | 87 | 148.9 Ų | 148.9 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | cis | -156.2 | 149.3 | -29.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 854 | V | 27.3 | Very low | 27.2 | Very low | 136 Ų | 136 | 148.4 Ų | 148.4 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -104.6 | 134.5 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | E856 | V854-E856 PolarHBondContact O-N 2.97Š| ||
| 855 | P | 29.3 | Very low | 26.8 | Very low | 119 Ų | 119 | 150 Ų | 150 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 127 | 177.5 | -18.4 | 32.1 | 0 | 0 | 0 | 112.9 | ||||
| 856 | E | 25.1 | Very low | 26.8 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -86 | 107.6 | 173.8 | -69.5 | -172.6 | 120.8 | 0 | 0 | 112.2 | V854 | V854-E856 PolarHBondContact O-N 2.97Š| ||
| 857 | S | 29.3 | Very low | 26.7 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | -167.9 | 138.8 | 153.7 | 62.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 858 | I | 28.7 | Very low | 26.6 | Very low | 103 Ų | 103 | 151.3 Ų | 151.3 | 53% | 0.528 | 79% | 0.791 | S | S | . | * | cis | -129 | 139.4 | 13.2 | -65.9 | 156.1 | 0 | 0 | 0 | 109.2 | Y781 | Y781-I858 HydrophobicContact CD1-CD1 4.44Å; Y781-I858 HydrophobicContact CE1-CD1 3.71Å; Y781-I858 HydrophobicContact CE1-CG1 4.38Å; Y781-I858 HydrophobicContact CE2-CD1 4.01Å; Y781-I858 VanDerWaalsContact CZ-CD1 3.47Å; Y781-I858 WeakPolarHBondContact OH-CD1 3.23Å; Y781-I858 WeakPolarHBondContact OH-CG2 3.37Å | ||
| 859 | Q | 25 | Very low | 26.6 | Very low | 172 Ų | 172 | 157.9 Ų | 157.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -110.1 | 170.9 | 158.7 | -70.8 | -176.8 | 4.6 | 0 | 0 | 108.9 | ||||
| 860 | D | 27.7 | Very low | 26.5 | Very low | 151 Ų | 151 | 156.9 Ų | 156.9 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | trans | 66.8 | 143.4 | -165.9 | -55.9 | -37 | 0 | 0 | 0 | 112.8 | ||||
| 861 | I | 27.2 | Very low | 26.4 | Very low | 145 Ų | 145 | 155.9 Ų | 155.9 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | cis | -149.4 | 158.1 | 10.1 | -144.9 | 164 | 0 | 0 | 0 | 107.6 | ||||
| 862 | H | 27.9 | Very low | 26.4 | Very low | 171 Ų | 171 | 153.7 Ų | 153.7 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -144.6 | -154.4 | 12.3 | -162.2 | 34.8 | 0 | 0 | 0 | 111.2 | ||||
| 863 | L | 24.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 155.3 Ų | 155.3 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -134.6 | 125.1 | 179.7 | -171.8 | 88.7 | 0 | 0 | 0 | 111.3 | K865 | L863-K865 HydrophobicContact CD2-CG 4.17Š| ||
| 864 | V | 25.5 | Very low | 26.3 | Very low | 134 Ų | 134 | 157.7 Ų | 157.7 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -112 | 108.9 | 174.6 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 865 | K | 24.6 | Very low | 26.2 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -85.5 | 119.2 | 175.3 | -72.6 | 178.1 | 176.7 | 174 | 0 | 111.2 | L863 | L863-K865 HydrophobicContact CD2-CG 4.17Š| ||
| 866 | V | 26.3 | Very low | 26 | Very low | 135 Ų | 135 | 158.9 Ų | 158.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -104.3 | 136.6 | 160.6 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 867 | K | 26.8 | Very low | 25.9 | Very low | 201 Ų | 201 | 152.6 Ų | 152.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -72.1 | 137.4 | -170.4 | -80.7 | 176.9 | 172 | 173.9 | 0 | 112.7 | ||||
| 868 | K | 23.6 | Very low | 25.7 | Very low | 200 Ų | 200 | 153.5 Ų | 153.5 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -57.4 | 140.4 | 152.1 | -76.2 | -171.5 | 175.4 | -175.8 | 0 | 109.5 | ||||
| 869 | R | 25.5 | Very low | 25.5 | Very low | 239 Ų | 239 | 155.3 Ų | 155.3 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -140.9 | 103.6 | 164.4 | -157.4 | 173.9 | -163.3 | 155.5 | 2.8 | 108.1 | ||||
| 870 | N | 24.3 | Very low | 25.6 | Very low | 129 Ų | 129 | 150.1 Ų | 150.1 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 149.9 | 164.6 | -60.2 | -1.5 | 0 | 0 | 0 | 107.8 | ||||
| 871 | E | 27.3 | Very low | 25.5 | Very low | 185 Ų | 185 | 150 Ų | 150 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | -176.4 | 141.3 | 125.5 | -100.3 | 154.4 | -147.5 | 0 | 0 | 112.7 | |||||
| 872 | N | 24.9 | Very low | 25.8 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -76.8 | 135.9 | -165.2 | -44.5 | -50.5 | 0 | 0 | 0 | 113.7 | ||||
| 873 | F | 26.5 | Very low | 26.2 | Very low | 207 Ų | 207 | 145.8 Ų | 145.8 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | trans | -153.5 | 90.3 | 151.1 | -83.5 | -74.4 | 0 | 0 | 0 | 108.4 | ||||
| 874 | L | 26 | Very low | 26.5 | Very low | 136 Ų | 136 | 146.8 Ų | 146.8 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | 61.4 | 99.6 | 78 | -79.9 | 168.9 | 0 | 0 | 0 | 116.6 | |||||
| 875 | N | 24.1 | Very low | 26.8 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 55.8 | 96.8 | 138.6 | -60.4 | 3.1 | 0 | 0 | 0 | 121.3 | ||||
| 876 | S | 25.5 | Very low | 27.3 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -178.2 | 142.9 | 135.8 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 877 | G | 24 | Very low | 27.7 | Very low | 61 Ų | 61 | 141.1 Ų | 141.1 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | cis | 157.1 | 145.5 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 878 | C | 24.4 | Very low | 28 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 86% | 0.858 | 73% | 0.733 | S | S | * | * | trans | 66.1 | 118.3 | -170.9 | -57.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 879 | V | 24.9 | Very low | 28.7 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | cis | 68.2 | 113.6 | 45.3 | -172 | 0 | 0 | 0 | 0 | 112 | ||||
| 880 | G | 26.8 | Very low | 29.1 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 69% | 0.693 | S | S | * | * | trans | 179.4 | 36 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T882 | G880-T882 PolarHBondContact O-N 3.08Š| ||
| 881 | D | 25.6 | Very low | 29.8 | Very low | 150 Ų | 150 | 118.6 Ų | 118.6 | 80% | 0.802 | 67% | 0.674 | S | S | * | * | trans | -64.2 | 95.4 | 175.7 | -58.5 | -74 | 0 | 0 | 0 | 110.5 | ||||
| 882 | T | 32.2 | Very low | 30.4 | Very low | 103 Ų | 103 | 113.5 Ų | 113.5 | 63% | 0.632 | 66% | 0.656 | S | S | * | * | trans | -84.6 | 122.6 | 178 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | G880 Q884 | G880-T882 PolarHBondContact O-N 3.08Å; T882-Q884 PolarHBondContact O-N 3.14Å | ||
| 883 | D | 37.8 | Very low | 31 | Very low | 123 Ų | 123 | 112.2 Ų | 112.2 | 66% | 0.658 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | -5.8 | -172 | -62 | -75 | 0 | 0 | 0 | 117.4 | S885 I886 Y887 | D883-S885 PolarHBondContact O-N 3.12Å; D883-I886 CarbonylContact O-C 3.56Å; D883-I886 PolarHBondContact O-N 3.09Å; D883-Y887 WeakPolarHBondContact O-CA 3.08Å; D883-Y887 WeakPolarHBondContact O-CB 3.45Å; D883-Y887 PolarHBondContact O-N 2.88Å |
| 884 | Q | 30.5 | Very low | 31.4 | Very low | 148 Ų | 148 | 109.9 Ų | 109.9 | 69% | 0.692 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.1 | -32.5 | -174.8 | -66.9 | -174.2 | -6.9 | 0 | 0 | 113.8 | T882 L888 | T882-Q884 PolarHBondContact O-N 3.14Å; Q884-L888 WeakPolarHBondContact O-CB 3.36Å; Q884-L888 VanDerWaalsContact O-CG 3.3Å; Q884-L888 WeakPolarHBondContact O-CG 3.24Å; Q884-L888 PolarHBondContact O-N 3.38Å |
| 885 | S | 32.1 | Very low | 31.8 | Very low | 81 Ų | 81 | 111.9 Ų | 111.9 | 57% | 0.566 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.4 | -46 | 171.8 | 53.1 | 0 | 0 | 0 | 0 | 111 | D883 Y887 L888 S889 | D883-S885 PolarHBondContact O-N 3.12Å; S885-Y887 VanDerWaalsContact C-N 3.33Å; S885-Y887 PolarHBondContact O-N 2.93Å; S885-L888 PolarHBondContact O-N 2.86Å; S885-S889 WeakPolarHBondContact O-CB 3.26Å; S885-S889 PolarHBondContact O-N 2.74Å; S885-S889 PolarHBondContact O-OG 2.98Å |
| 886 | I | 34.9 | Very low | 32.4 | Very low | 102 Ų | 102 | 111.7 Ų | 111.7 | 52% | 0.523 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.4 | -38.6 | 175.6 | -59.1 | 176.5 | 0 | 0 | 0 | 110.8 | D883 S890 | D883-I886 CarbonylContact O-C 3.56Å; D883-I886 PolarHBondContact O-N 3.09Å; I886-S890 WeakPolarHBondContact O-CA 3.28Å; I886-S890 WeakPolarHBondContact O-CB 3.3Å; I886-S890 PolarHBondContact O-N 3.14Å; I886-S890 PolarHBondContact O-OG 2.78Å |
| 887 | Y | 33.1 | Very low | 32.6 | Very low | 151 Ų | 151 | 107.1 Ų | 107.1 | 59% | 0.592 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.3 | -41.9 | 177.1 | -176.7 | -94.8 | 0 | 0 | 0 | 111.3 | D883 S885 S890 L891 | D883-Y887 WeakPolarHBondContact O-CA 3.08Å; D883-Y887 WeakPolarHBondContact O-CB 3.45Å; D883-Y887 PolarHBondContact O-N 2.88Å; S885-Y887 VanDerWaalsContact C-N 3.33Å; S885-Y887 PolarHBondContact O-N 2.93Å; Y887-S890 CarbonylContact O-C 3.58Å; Y887-S890 PolarHBondContact O-N 3.02Å; Y887-L891 HydrophobicContact CE1-CD1 3.87Å; Y887-L891 HydrophobicContact CE1-CD2 4.42Å; Y887-L891 WeakPolarHBondContact O-CB 3.4Å; Y887-L891 PolarHBondContact O-N 2.79Å |
| 888 | L | 34.8 | Very low | 32.8 | Very low | 107 Ų | 107 | 111.8 Ų | 111.8 | 56% | 0.56 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.8 | -43.7 | 175.6 | -77 | 168.3 | 0 | 0 | 0 | 111.9 | Q884 S885 S890 L891 V892 | Q884-L888 WeakPolarHBondContact O-CB 3.36Å; Q884-L888 VanDerWaalsContact O-CG 3.3Å; Q884-L888 WeakPolarHBondContact O-CG 3.24Å; Q884-L888 PolarHBondContact O-N 3.38Å; S885-L888 PolarHBondContact O-N 2.86Å; L888-S890 VanDerWaalsContact C-N 3.29Å; L888-S890 PolarHBondContact O-N 3.33Å; L888-L891 WeakPolarHBondContact O-CB 3.21Å; L888-L891 PolarHBondContact O-N 2.81Å; L888-V892 WeakPolarHBondContact O-CB 3.45Å; L888-V892 WeakPolarHBondContact O-CG2 3.23Å; L888-V892 PolarHBondContact O-N 2.88Å |
| 889 | S | 36.6 | Very low | 32.9 | Very low | 72 Ų | 72 | 115.4 Ų | 115.4 | 50% | 0.503 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.5 | -38 | 170.8 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | S885 N893 | S885-S889 WeakPolarHBondContact O-CB 3.26Å; S885-S889 PolarHBondContact O-N 2.74Å; S885-S889 PolarHBondContact O-OG 2.98Å; S889-N893 VanDerWaalsContact O-CB 3.28Å; S889-N893 WeakPolarHBondContact O-CB 3.39Å; S889-N893 PolarHBondContact O-N 2.74Å; S889-N893 PolarHBondContact O-ND2 3.17Å |
| 890 | S | 35.3 | Very low | 32.9 | Very low | 61 Ų | 61 | 113.2 Ų | 113.2 | 43% | 0.427 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -69.1 | -30 | 171.4 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | I886 Y887 L888 K894 | I886-S890 WeakPolarHBondContact O-CA 3.28Å; I886-S890 WeakPolarHBondContact O-CB 3.3Å; I886-S890 PolarHBondContact O-N 3.14Å; I886-S890 PolarHBondContact O-OG 2.78Å; Y887-S890 CarbonylContact O-C 3.58Å; Y887-S890 PolarHBondContact O-N 3.02Å; L888-S890 VanDerWaalsContact C-N 3.29Å; L888-S890 PolarHBondContact O-N 3.33Å; S890-K894 WeakPolarHBondContact O-CA 3.24Å; S890-K894 WeakPolarHBondContact O-CB 3.45Å; S890-K894 PolarHBondContact O-N 2.73Å |
| 891 | L | 39 | Very low | 33 | Very low | 55 Ų | 55 | 116 Ų | 116 | 29% | 0.288 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -72.8 | -45.6 | 176.7 | -140.4 | 73 | 0 | 0 | 0 | 110 | Y887 L888 K894 Y895 | Y887-L891 HydrophobicContact CE1-CD1 3.87Å; Y887-L891 HydrophobicContact CE1-CD2 4.42Å; Y887-L891 WeakPolarHBondContact O-CB 3.4Å; Y887-L891 PolarHBondContact O-N 2.79Å; L888-L891 WeakPolarHBondContact O-CB 3.21Å; L888-L891 PolarHBondContact O-N 2.81Å; L891-K894 PolarHBondContact O-N 3.4Å; L891-Y895 HydrophobicContact CD1-CE2 4.1Å; L891-Y895 HydrophobicContact CG-CD2 3.97Å; L891-Y895 HydrophobicContact CG-CE2 3.9Å; L891-Y895 VanDerWaalsContact O-CD2 3.27Å; L891-Y895 WeakPolarHBondContact O-CD2 3.44Å; L891-Y895 PolarHBondContact O-N 3.23Å |
| 892 | V | 38.4 | Very low | 33 | Very low | 78 Ų | 78 | 116 Ų | 116 | 47% | 0.473 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -55 | -54.3 | 170.3 | 168.1 | 0 | 0 | 0 | 0 | 109.2 | L888 K894 Y895 L896 | L888-V892 WeakPolarHBondContact O-CB 3.45Å; L888-V892 WeakPolarHBondContact O-CG2 3.23Å; L888-V892 PolarHBondContact O-N 2.88Å; V892-K894 VanDerWaalsContact C-N 3.3Å; V892-K894 PolarHBondContact O-N 2.95Å; V892-Y895 PolarHBondContact O-N 2.86Å; V892-L896 HydrophobicContact CG1-CD1 4.01Å; V892-L896 VanDerWaalsContact O-CB 3.3Å; V892-L896 WeakPolarHBondContact O-CB 3.04Å; V892-L896 PolarHBondContact O-N 2.97Å |
| 893 | N | 38.1 | Very low | 32.6 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 59% | 0.588 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.2 | -25.6 | 178.4 | -69.8 | -16.3 | 0 | 0 | 0 | 113.8 | S889 G897 | S889-N893 VanDerWaalsContact O-CB 3.28Å; S889-N893 WeakPolarHBondContact O-CB 3.39Å; S889-N893 PolarHBondContact O-N 2.74Å; S889-N893 PolarHBondContact O-ND2 3.17Å; N893-G897 WeakPolarHBondContact O-CA 3.29Å; N893-G897 PolarHBondContact O-N 2.99Å |
| 894 | K | 36.1 | Very low | 32 | Very low | 158 Ų | 158 | 115 Ų | 115 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -83.2 | -20.7 | 177.1 | -177.2 | 174.2 | -177 | 176.6 | 0 | 113.8 | S890 L891 V892 | S890-K894 WeakPolarHBondContact O-CA 3.24Å; S890-K894 WeakPolarHBondContact O-CB 3.45Å; S890-K894 PolarHBondContact O-N 2.73Å; L891-K894 PolarHBondContact O-N 3.4Å; V892-K894 VanDerWaalsContact C-N 3.3Å; V892-K894 PolarHBondContact O-N 2.95Å |
| 895 | Y | 33.9 | Very low | 31.7 | Very low | 178 Ų | 178 | 114.7 Ų | 114.7 | 70% | 0.698 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -110.6 | -11 | 177.6 | -70.7 | -67.2 | 0 | 0 | 0 | 114.4 | L891 V892 | L891-Y895 HydrophobicContact CD1-CE2 4.1Å; L891-Y895 HydrophobicContact CG-CD2 3.97Å; L891-Y895 HydrophobicContact CG-CE2 3.9Å; L891-Y895 VanDerWaalsContact O-CD2 3.27Å; L891-Y895 WeakPolarHBondContact O-CD2 3.44Å; L891-Y895 PolarHBondContact O-N 3.23Å; V892-Y895 PolarHBondContact O-N 2.86Å |
| 896 | L | 35.6 | Very low | 31.5 | Very low | 147 Ų | 147 | 117.3 Ų | 117.3 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -123.9 | -11.6 | 175.6 | -68.7 | 154.7 | 0 | 0 | 0 | 113.8 | V892 | V892-L896 HydrophobicContact CG1-CD1 4.01Å; V892-L896 VanDerWaalsContact O-CB 3.3Å; V892-L896 WeakPolarHBondContact O-CB 3.04Å; V892-L896 PolarHBondContact O-N 2.97Å |
| 897 | G | 30.4 | Very low | 31 | Very low | 34 Ų | 34 | 119.4 Ų | 119.4 | 35% | 0.351 | 67% | 0.674 | S | S | . | * | trans | -94.1 | 137.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.9 | N893 | N893-G897 WeakPolarHBondContact O-CA 3.29Å; N893-G897 PolarHBondContact O-N 2.99Å | ||
| 898 | N | 29.1 | Very low | 30.8 | Very low | 159 Ų | 159 | 118.5 Ų | 118.5 | 85% | 0.85 | 68% | 0.684 | S | S | * | * | trans | 54.6 | 93.2 | 143.5 | -56.8 | -4.2 | 0 | 0 | 0 | 118.7 | ||||
| 899 | K | 26.2 | Very low | 30.4 | Very low | 203 Ų | 203 | 120.6 Ų | 120.6 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | -83.3 | 115.9 | 123.9 | -86.3 | -165.8 | 171.7 | -168.9 | 0 | 108.2 | |||||
| 900 | A | 24.2 | Very low | 29.9 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | trans | -72.2 | 138.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 901 | V | 28.6 | Very low | 29.6 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | -140.8 | 103.2 | 166.2 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 902 | D | 25.2 | Very low | 29.3 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | trans | 17.2 | 146.6 | 156.2 | -51.3 | -33.5 | 0 | 0 | 0 | 122.3 | G904 | D902-G904 PolarHBondContact O-N 3.04Š| ||
| 903 | S | 23.8 | Very low | 29 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 89% | 0.888 | 74% | 0.742 | S | S | * | * | trans | -52 | 124.8 | 171.9 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 904 | G | 26.7 | Very low | 29.2 | Very low | 76 Ų | 76 | 124.5 Ų | 124.5 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | trans | -153.7 | 112.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | D902 | D902-G904 PolarHBondContact O-N 3.04Š| ||
| 905 | T | 24 | Very low | 29.7 | Very low | 142 Ų | 142 | 123.6 Ų | 123.6 | 87% | 0.871 | 73% | 0.731 | S | S | * | * | trans | -65.5 | 140.4 | 178.2 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 906 | V | 27 | Very low | 30.5 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | 178.6 | 144.3 | 134.6 | 143.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 907 | D | 25.1 | Very low | 31.4 | Very low | 147 Ų | 147 | 111.4 Ų | 111.4 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | -64.6 | 147 | -175.7 | -50 | -94.7 | 0 | 0 | 0 | 114.9 | ||||
| 908 | T | 27.9 | Very low | 32.4 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | trans | -168 | 132.5 | 139.2 | 3.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 909 | D | 26.9 | Very low | 33.3 | Very low | 151 Ų | 151 | 112.5 Ų | 112.5 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | trans | 14.2 | 120.6 | 164.4 | -58.8 | -20.2 | 0 | 0 | 0 | 121 | S911 | D909-S911 PolarHBondContact O-N 3.45Š| ||
| 910 | S | 26.2 | Very low | 34.4 | Very low | 125 Ų | 125 | 103 Ų | 103 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | trans | -69.3 | 88.9 | 175.8 | 45.8 | 0 | 0 | 0 | 0 | 114 | T912 | S910-T912 PolarHBondContact O-N 3.07Š| ||
| 911 | S | 29.8 | Very low | 35.8 | Very low | 69 Ų | 69 | 100.9 Ų | 100.9 | 48% | 0.483 | 62% | 0.62 | S | S | . | * | trans | -70.6 | 114.8 | 154.4 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | D909 V913 | D909-S911 PolarHBondContact O-N 3.45Å; S911-V913 PolarHBondContact O-N 2.81Å | ||
| 912 | T | 32.3 | Very low | 37.2 | Very low | 95 Ų | 95 | 98.7 Ų | 98.7 | 58% | 0.583 | 60% | 0.604 | S | S | * | * | trans | -54.5 | 123.2 | 165.3 | 44.5 | 0 | 0 | 0 | 0 | 109.2 | S910 V914 | S910-T912 PolarHBondContact O-N 3.07Å; T912-V914 PolarHBondContact O-N 3.38Å | ||
| 913 | V | 32 | Very low | 38.7 | Very low | 118 Ų | 118 | 93.9 Ų | 93.9 | 72% | 0.715 | 58% | 0.575 | S | S | * | * | trans | -66.4 | 119.2 | -178.9 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | S911 D915 | S911-V913 PolarHBondContact O-N 2.81Å; V913-D915 WeakPolarHBondContact CG1-OD1 3.31Å | ||
| 914 | V | 42.7 | Very low | 40.5 | Very low | 50 Ų | 50 | 87.8 Ų | 87.8 | 30% | 0.303 | 53% | 0.533 | S | S | . | . | trans | -103.6 | 108.8 | 167.6 | 177.8 | 0 | 0 | 0 | 0 | 105.6 | V185 T912 Y916 | V185-V914 HydrophobicContact CG1-CG2 3.69Å; T912-V914 PolarHBondContact O-N 3.38Å; V914-Y916 VanDerWaalsContact C-N 3.32Å; V914-Y916 WeakPolarHBondContact O-CD2 3.24Å; V914-Y916 PolarHBondContact O-N 3.14Å | ||
| 915 | D | 47 | Very low | 42.2 | Very low | 140 Ų | 140 | 89.3 Ų | 89.3 | 75% | 0.749 | 52% | 0.518 | S | S | * | . | trans | -71.4 | 87.8 | -177.5 | -75.3 | -44.6 | 0 | 0 | 0 | 111.3 | V913 | V913-D915 WeakPolarHBondContact CG1-OD1 3.31Š| ||
| 916 | Y | 50.1 | Low | 43.9 | Very low | 29 Ų | 29 | 89.7 Ų | 89.7 | 11% | 0.114 | 50% | 0.503 | C | S | . | . | trans | -66.6 | 130.3 | 168.4 | -69.9 | -65.4 | 0 | 0 | 0 | 110.5 | S187 L188 L189 V914 T920 L921 | S187-Y916 WeakPolarHBondContact CB-OH 3.36Å; S187-Y916 PolarHBondContact OG-OH 3.01Å; L188-Y916 HydrophobicContact CB-CE2 3.78Å; L188-Y916 HydrophobicContact CD1-CD2 4.32Å; L188-Y916 HydrophobicContact CD1-CE2 4.15Å; L188-Y916 HydrophobicContact CG-CE2 4.18Å; L188-Y916 PolarHBondContact N-OH 3.1Å; L189-Y916 WeakPolarHBondContact CB-OH 3.27Å; L189-Y916 PolarHBondContact N-OH 2.94Å; V914-Y916 VanDerWaalsContact C-N 3.32Å; V914-Y916 WeakPolarHBondContact O-CD2 3.24Å; V914-Y916 PolarHBondContact O-N 3.14Å; Y916-T920 HydrophobicContact CD1-CG2 3.46Å; Y916-T920 VanDerWaalsContact CD1-CG2 3.46Å; Y916-T920 HydrophobicContact CE1-CG2 4.16Å; Y916-T920 HydrophobicContact CG-CG2 4.1Å; Y916-L921 HydrophobicContact CD2-CD2 4.26Å; Y916-L921 HydrophobicContact CG-CD2 4.39Å | ||
| 917 | S | 53.5 | Low | 45.3 | Very low | 40 Ų | 40 | 86.3 Ų | 86.3 | 28% | 0.28 | 48% | 0.478 | S | S | . | . | trans | -54.3 | 151.5 | 171.7 | 84.8 | 0 | 0 | 0 | 0 | 111.4 | A919 T920 L921 | S917-A919 PolarHBondContact O-N 2.87Å; S917-A919 VanDerWaalsContact O-N 3.13Å; S917-A919 PolarHBondContact OG-N 2.84Å; S917-T920 WeakPolarHBondContact O-CA 3.16Å; S917-T920 WeakPolarHBondContact O-CB 3.27Å; S917-T920 PolarHBondContact O-N 2.88Å; S917-T920 PolarHBondContact OG-N 3.16Å; S917-T920 PolarHBondContact OG-OG1 3.05Å; S917-L921 PolarHBondContact O-N 3.09Å | ||
| 918 | L | 52.7 | Low | 46.5 | Very low | 153 Ų | 153 | 80.7 Ų | 80.7 | 80% | 0.801 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -55 | -31.8 | 174.3 | -80 | 164 | 0 | 0 | 0 | 112.6 | D922 | L918-D922 WeakPolarHBondContact O-CB 3.48Å; L918-D922 PolarHBondContact O-N 3.2Å |
| 919 | A | 46.6 | Very low | 47.8 | Very low | 63 Ų | 63 | 74.9 Ų | 74.9 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70.2 | -36.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S917 Y923 | S917-A919 PolarHBondContact O-N 2.87Å; S917-A919 VanDerWaalsContact O-N 3.13Å; S917-A919 PolarHBondContact OG-N 2.84Å; A919-Y923 VanDerWaalsContact O-CB 3.3Å; A919-Y923 WeakPolarHBondContact O-CB 3.36Å; A919-Y923 PolarHBondContact O-N 2.88Å |
| 920 | T | 50.2 | Low | 49.2 | Very low | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.4 | -46.6 | 174.4 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | L233 Y916 S917 Y923 M924 | L233-T920 HydrophobicContact CD1-CG2 3.84Å; L233-T920 HydrophobicContact CG-CG2 4.32Å; Y916-T920 HydrophobicContact CD1-CG2 3.46Å; Y916-T920 VanDerWaalsContact CD1-CG2 3.46Å; Y916-T920 HydrophobicContact CE1-CG2 4.16Å; Y916-T920 HydrophobicContact CG-CG2 4.1Å; S917-T920 WeakPolarHBondContact O-CA 3.16Å; S917-T920 WeakPolarHBondContact O-CB 3.27Å; S917-T920 PolarHBondContact O-N 2.88Å; S917-T920 PolarHBondContact OG-N 3.16Å; S917-T920 PolarHBondContact OG-OG1 3.05Å; T920-Y923 PolarHBondContact O-N 3.08Å; T920-M924 HydrophobicContact CG2-SD 4.12Å; T920-M924 WeakPolarHBondContact O-CB 3.5Å; T920-M924 VanDerWaalsContact O-CG 3.24Å; T920-M924 WeakPolarHBondContact O-CG 3.38Å; T920-M924 PolarHBondContact O-N 2.91Å |
| 921 | L | 54 | Low | 50.3 | Low | 52 Ų | 52 | 66.5 Ų | 66.5 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.2 | -68.5 | 172.7 | 0 | 0 | 0 | 112.2 | Y916 S917 M924 K925 I930 | Y916-L921 HydrophobicContact CD2-CD2 4.26Å; Y916-L921 HydrophobicContact CG-CD2 4.39Å; S917-L921 PolarHBondContact O-N 3.09Å; L921-M924 PolarHBondContact O-N 3.07Å; L921-K925 WeakPolarHBondContact O-CB 3.47Å; L921-K925 PolarHBondContact O-N 3.21Å; L921-I930 HydrophobicContact CD2-CD1 3.98Å |
| 922 | D | 57.3 | Low | 51.4 | Low | 76 Ų | 76 | 65.4 Ų | 65.4 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 176.3 | 179.2 | 72.8 | 0 | 0 | 0 | 112.5 | L918 K925 R926 | L918-D922 WeakPolarHBondContact O-CB 3.48Å; L918-D922 PolarHBondContact O-N 3.2Å; D922-K925 PolarHBondContact O-N 3.23Å; D922-R926 WeakPolarHBondContact O-CB 3.29Å; D922-R926 WeakPolarHBondContact O-CG 3.31Å; D922-R926 PolarHBondContact O-N 2.88Å; D922-R926 IonicContact OD2-CZ 3.84Å; D922-R926 IonicContact OD2-NE 3.18Å; D922-R926 PolarHBondContact OD2-NE 2.69Å; D922-R926 IonicContact OD2-NH2 2.73Å; D922-R926 PolarHBondContact OD2-NH2 3.25Å |
| 923 | Y | 56.4 | Low | 52.1 | Low | 48 Ų | 48 | 63.5 Ų | 63.5 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -49.6 | 170 | 177.8 | -81.6 | 0 | 0 | 0 | 111.3 | L233 A919 T920 K925 R926 H927 I929 | L233-Y923 HydrophobicContact CD1-CD1 3.31Å; L233-Y923 HydrophobicContact CD1-CE1 3.75Å; L233-Y923 HydrophobicContact CD1-CG 3.94Å; L233-Y923 HydrophobicContact CD2-CE1 4.26Å; A919-Y923 VanDerWaalsContact O-CB 3.3Å; A919-Y923 WeakPolarHBondContact O-CB 3.36Å; A919-Y923 PolarHBondContact O-N 2.88Å; T920-Y923 PolarHBondContact O-N 3.08Å; Y923-K925 PolarHBondContact O-N 2.88Å; Y923-R926 PolarHBondContact O-N 2.72Å; Y923-R926 VanDerWaalsContact O-N 3.12Å; Y923-H927 AromaticContact CD1-CD2 3.97Å; Y923-H927 AromaticContact CD2-CD2 3.65Å; Y923-H927 AromaticContact CD2-NE2 3.83Å; Y923-H927 HydrophobicContact CE1-CB 4.41Å; Y923-H927 AromaticContact CE1-CD2 3.76Å; Y923-H927 AromaticContact CE2-CD2 3.42Å; Y923-H927 VanDerWaalsContact CE2-CD2 3.42Å; Y923-H927 WeakPolarHBondContact CE2-CD2 3.47Å; Y923-H927 AromaticContact CE2-NE2 3.33Å; Y923-H927 VanDerWaalsContact CE2-NE2 3.33Å; Y923-H927 WeakPolarHBondContact CE2-NE2 3.24Å; Y923-H927 AromaticContact CG-CD2 3.93Å; Y923-H927 AromaticContact CZ-CD2 3.47Å; Y923-H927 VanDerWaalsContact CZ-CD2 3.47Å; Y923-H927 AromaticContact CZ-CG 3.99Å; Y923-H927 AromaticContact CZ-NE2 3.69Å; Y923-H927 PolarHBondContact O-CD2 2.93Å; Y923-H927 PolarHBondContact O-N 3.44Å; Y923-I929 HydrophobicContact CE1-CD1 4.39Å |
| 924 | M | 62.5 | Low | 52.5 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.5 | -40 | 178.7 | -71 | 173.9 | 86.3 | 0 | 0 | 111.2 | L188 L189 L233 T920 L921 G928 I929 I930 | L188-M924 HydrophobicContact CB-CE 3.73Å; L189-M924 HydrophobicContact CB-CE 4.22Å; L233-M924 HydrophobicContact CD1-CG 4.49Å; T920-M924 HydrophobicContact CG2-SD 4.12Å; T920-M924 WeakPolarHBondContact O-CB 3.5Å; T920-M924 VanDerWaalsContact O-CG 3.24Å; T920-M924 WeakPolarHBondContact O-CG 3.38Å; T920-M924 PolarHBondContact O-N 2.91Å; L921-M924 PolarHBondContact O-N 3.07Å; M924-G928 PolarHBondContact O-N 2.91Å; M924-I929 HydrophobicContact CB-CB 3.95Å; M924-I929 HydrophobicContact CB-CD1 4.45Å; M924-I929 HydrophobicContact CB-CG2 4.24Å; M924-I929 HydrophobicContact CE-CG2 3.64Å; M924-I929 HydrophobicContact CG-CB 4.36Å; M924-I929 HydrophobicContact CG-CD1 4.2Å; M924-I929 HydrophobicContact CG-CG2 4.24Å; M924-I929 WeakPolarHBondContact O-CA 3.21Å; M924-I929 VanDerWaalsContact O-CB 3.26Å; M924-I929 WeakPolarHBondContact O-CB 3.27Å; M924-I929 PolarHBondContact O-N 3.36Å; M924-I930 HydrophobicContact CB-CD1 3.86Å; M924-I930 HydrophobicContact CB-CG1 3.85Å; M924-I930 HydrophobicContact CB-CG2 4.48Å; M924-I930 HydrophobicContact CE-CG2 4.18Å; M924-I930 PolarHBondContact O-N 3.34Å |
| 925 | K | 62.2 | Low | 52.3 | Low | 108 Ų | 108 | 65.5 Ų | 65.5 | 47% | 0.47 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 174.6 | -170.8 | 174.3 | -167.9 | 155.4 | 0 | 113 | L921 D922 Y923 H927 G928 I930 C932 | L921-K925 WeakPolarHBondContact O-CB 3.47Å; L921-K925 PolarHBondContact O-N 3.21Å; D922-K925 PolarHBondContact O-N 3.23Å; Y923-K925 PolarHBondContact O-N 2.88Å; K925-H927 VanDerWaalsContact C-N 3.34Å; K925-H927 PolarHBondContact O-N 3.46Å; K925-G928 PolarHBondContact O-N 3.35Å; K925-I930 HydrophobicContact CB-CG1 4.26Å; K925-C932 PolarHBondContact NZ-SG 2.92Å; K925-C932 VanDerWaalsContact NZ-SG 3.38Å |
| 926 | R | 60 | Low | 51.9 | Low | 149 Ų | 149 | 66.4 Ų | 66.4 | 56% | 0.562 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.9 | -32.1 | 177.1 | -82.4 | -172.8 | -82.7 | 129.8 | -6.7 | 113.5 | D922 Y923 | D922-R926 WeakPolarHBondContact O-CB 3.29Å; D922-R926 WeakPolarHBondContact O-CG 3.31Å; D922-R926 PolarHBondContact O-N 2.88Å; D922-R926 IonicContact OD2-CZ 3.84Å; D922-R926 IonicContact OD2-NE 3.18Å; D922-R926 PolarHBondContact OD2-NE 2.69Å; D922-R926 IonicContact OD2-NH2 2.73Å; D922-R926 PolarHBondContact OD2-NH2 3.25Å; Y923-R926 PolarHBondContact O-N 2.72Å; Y923-R926 VanDerWaalsContact O-N 3.12Å |
| 927 | H | 55.3 | Low | 51.5 | Low | 65 Ų | 65 | 72.6 Ų | 72.6 | 30% | 0.301 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 18.8 | -179.2 | -72.9 | -88 | 0 | 0 | 0 | 114.2 | R217 Y923 K925 I929 | R217-H927 PolarHBondContact NH2-O 2.96Å; Y923-H927 AromaticContact CD1-CD2 3.97Å; Y923-H927 AromaticContact CD2-CD2 3.65Å; Y923-H927 AromaticContact CD2-NE2 3.83Å; Y923-H927 HydrophobicContact CE1-CB 4.41Å; Y923-H927 AromaticContact CE1-CD2 3.76Å; Y923-H927 AromaticContact CE2-CD2 3.42Å; Y923-H927 VanDerWaalsContact CE2-CD2 3.42Å; Y923-H927 WeakPolarHBondContact CE2-CD2 3.47Å; Y923-H927 AromaticContact CE2-NE2 3.33Å; Y923-H927 VanDerWaalsContact CE2-NE2 3.33Å; Y923-H927 WeakPolarHBondContact CE2-NE2 3.24Å; Y923-H927 AromaticContact CG-CD2 3.93Å; Y923-H927 AromaticContact CZ-CD2 3.47Å; Y923-H927 VanDerWaalsContact CZ-CD2 3.47Å; Y923-H927 AromaticContact CZ-CG 3.99Å; Y923-H927 AromaticContact CZ-NE2 3.69Å; Y923-H927 PolarHBondContact O-CD2 2.93Å; Y923-H927 PolarHBondContact O-N 3.44Å; K925-H927 VanDerWaalsContact C-N 3.34Å; K925-H927 PolarHBondContact O-N 3.46Å; H927-I929 HydrophobicContact CB-CD1 4.25Å; H927-I929 HydrophobicContact CB-CG1 4.12Å; H927-I929 PolarHBondContact O-N 3.44Å |
| 928 | G | 51.7 | Low | 51.2 | Low | 30 Ų | 30 | 73 Ų | 73 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 8.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | M924 K925 | M924-G928 PolarHBondContact O-N 2.91Å; K925-G928 PolarHBondContact O-N 3.35Å |
| 929 | I | 54.5 | Low | 50.9 | Low | 10 Ų | 10 | 71.9 Ų | 71.9 | 5% | 0.051 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -72.2 | -36.1 | -174.7 | -53 | -175 | 0 | 0 | 0 | 110.8 | S192 Y923 M924 H927 | S192-I929 WeakPolarHBondContact OG-CG2 3.47Å; Y923-I929 HydrophobicContact CE1-CD1 4.39Å; M924-I929 HydrophobicContact CB-CB 3.95Å; M924-I929 HydrophobicContact CB-CD1 4.45Å; M924-I929 HydrophobicContact CB-CG2 4.24Å; M924-I929 HydrophobicContact CE-CG2 3.64Å; M924-I929 HydrophobicContact CG-CB 4.36Å; M924-I929 HydrophobicContact CG-CD1 4.2Å; M924-I929 HydrophobicContact CG-CG2 4.24Å; M924-I929 WeakPolarHBondContact O-CA 3.21Å; M924-I929 VanDerWaalsContact O-CB 3.26Å; M924-I929 WeakPolarHBondContact O-CB 3.27Å; M924-I929 PolarHBondContact O-N 3.36Å; H927-I929 HydrophobicContact CB-CD1 4.25Å; H927-I929 HydrophobicContact CB-CG1 4.12Å; H927-I929 PolarHBondContact O-N 3.44Å |
| 930 | I | 56.4 | Low | 50.7 | Low | 8 Ų | 8 | 72.8 Ų | 72.8 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147 | 177.9 | 64.3 | 180 | 0 | 0 | 0 | 111.8 | L921 M924 K925 C938 K939 | L921-I930 HydrophobicContact CD2-CD1 3.98Å; M924-I930 HydrophobicContact CB-CD1 3.86Å; M924-I930 HydrophobicContact CB-CG1 3.85Å; M924-I930 HydrophobicContact CB-CG2 4.48Å; M924-I930 HydrophobicContact CE-CG2 4.18Å; M924-I930 PolarHBondContact O-N 3.34Å; K925-I930 HydrophobicContact CB-CG1 4.26Å; I930-C938 HydrophobicContact CD1-CB 4.41Å; I930-K939 WeakPolarHBondContact CA-O 3.49Å |
| 931 | E | 49.8 | Very low | 50.2 | Low | 92 Ų | 92 | 74 Ų | 74 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 111.8 | 176 | -167.6 | 167.9 | 169.6 | 0 | 0 | 109.5 | C933 K939 S941 | E931-C933 PolarHBondContact O-N 3.05Å; E931-K939 PolarHBondContact N-O 3.36Å; E931-K939 PolarHBondContact O-N 3.14Å; E931-S941 WeakPolarHBondContact OE2-CB 3.43Å; E931-S941 PolarHBondContact OE2-OG 3.19Å |
| 932 | C | 52.9 | Low | 49.4 | Very low | 45 Ų | 45 | 77.6 Ų | 77.6 | 30% | 0.304 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 100.6 | 177.7 | -35.7 | 0 | 0 | 0 | 0 | 109.4 | K925 C938 | K925-C932 PolarHBondContact NZ-SG 2.92Å; K925-C932 VanDerWaalsContact NZ-SG 3.38Å; C932-C938 VanDerWaalsContact SG-SG 3.65Å |
| 933 | C | 46.8 | Very low | 48.2 | Very low | 56 Ų | 56 | 76.3 Ų | 76.3 | 38% | 0.378 | 42% | 0.416 | S | S | . | . | trans | -61.3 | 163.6 | 157.4 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | E931 D935 | E931-C933 PolarHBondContact O-N 3.05Å; C933-D935 PolarHBondContact O-N 2.95Å | ||
| 934 | G | 39.6 | Very low | 46.9 | Very low | 78 Ų | 78 | 79.7 Ų | 79.7 | 80% | 0.804 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -63.8 | -10.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 935 | D | 38.5 | Very low | 45.7 | Very low | 132 Ų | 132 | 84 Ų | 84 | 71% | 0.706 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -104.8 | 37.5 | -166.2 | -42.8 | -58.7 | 0 | 0 | 0 | 112.9 | C933 K937 | C933-D935 PolarHBondContact O-N 2.95Å; D935-K937 PolarHBondContact O-N 2.64Å |
| 936 | N | 39.8 | Very low | 44 | Very low | 159 Ų | 159 | 82.4 Ų | 82.4 | 85% | 0.85 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 56.2 | -11.5 | -177 | -69.9 | -14.7 | 0 | 0 | 0 | 117.4 | C938 | N936-C938 PolarHBondContact O-N 3.08Å; N936-C938 VanDerWaalsContact O-N 3.1Å |
| 937 | K | 41.3 | Very low | 42.5 | Very low | 159 Ų | 159 | 80.8 Ų | 80.8 | 69% | 0.691 | 49% | 0.489 | S | S | * | . | trans | -76.9 | 95.6 | 177 | -68.2 | 177.9 | -178.3 | -178.5 | 0 | 110.1 | D935 K939 | D935-K937 PolarHBondContact O-N 2.64Å; K937-K939 PolarHBondContact O-N 2.68Å; K937-K939 VanDerWaalsContact O-N 3.15Å | ||
| 938 | C | 47.2 | Very low | 41.1 | Very low | 48 Ų | 48 | 82.4 Ų | 82.4 | 32% | 0.324 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 110.2 | 166.6 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | I930 C932 N936 | I930-C938 HydrophobicContact CD1-CB 4.41Å; C932-C938 VanDerWaalsContact SG-SG 3.65Å; N936-C938 PolarHBondContact O-N 3.08Å; N936-C938 VanDerWaalsContact O-N 3.1Å |
| 939 | K | 45.6 | Very low | 39.9 | Very low | 129 Ų | 129 | 86.5 Ų | 86.5 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 157.3 | 171.8 | -69.1 | -179.2 | 178.9 | 177.1 | 0 | 109.2 | I930 E931 K937 | I930-K939 WeakPolarHBondContact CA-O 3.49Å; E931-K939 PolarHBondContact N-O 3.36Å; E931-K939 PolarHBondContact O-N 3.14Å; K937-K939 PolarHBondContact O-N 2.68Å; K937-K939 VanDerWaalsContact O-N 3.15Å |
| 940 | Q | 43.7 | Very low | 38.5 | Very low | 83 Ų | 83 | 92.2 Ų | 92.2 | 39% | 0.388 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.7 | 162.5 | -172.6 | 157.1 | 36.5 | 0 | 0 | 108.2 | K191 T195 T942 | K191-Q940 PolarHBondContact O-NE2 2.85Å; T195-Q940 PolarHBondContact OG1-NE2 3.29Å; Q940-T942 PolarHBondContact O-N 2.65Å |
| 941 | S | 39.7 | Very low | 37.1 | Very low | 26 Ų | 26 | 97.6 Ų | 97.6 | 18% | 0.182 | 60% | 0.598 | C | S | . | * | P | Polyproline II helix | trans | -69.8 | 133 | 178.8 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | E931 A943 | E931-S941 WeakPolarHBondContact OE2-CB 3.43Å; E931-S941 PolarHBondContact OE2-OG 3.19Å; S941-A943 PolarHBondContact OG-N 3.41Å |
| 942 | T | 37.1 | Very low | 36 | Very low | 129 Ų | 129 | 97.7 Ų | 97.7 | 79% | 0.791 | 61% | 0.614 | S | S | * | * | trans | -96.6 | 1.8 | 172.4 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | Q940 | Q940-T942 PolarHBondContact O-N 2.65Š| ||
| 943 | A | 30.8 | Very low | 34.8 | Very low | 49 Ų | 49 | 101.6 Ų | 101.6 | 41% | 0.405 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -75.8 | 149.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S941 V945 | S941-A943 PolarHBondContact OG-N 3.41Å; A943-V945 PolarHBondContact O-N 2.95Å |
| 944 | P | 30 | Very low | 34 | Very low | 119 Ų | 119 | 103.5 Ų | 103.5 | 77% | 0.773 | 64% | 0.635 | S | S | * | * | trans | -59.1 | 137.3 | 163.6 | 27.4 | -33.8 | 0 | 0 | 0 | 109.1 | A946 | P944-A946 PolarHBondContact O-N 2.9Š| ||
| 945 | V | 37.3 | Very low | 33.3 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | trans | -69.1 | 94.3 | -175.1 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | A943 S947 | A943-V945 PolarHBondContact O-N 2.95Å; V945-S947 PolarHBondContact O-N 3.13Å; V945-S947 VanDerWaalsContact O-N 3.07Å | ||
| 946 | A | 27 | Very low | 32.7 | Very low | 75 Ų | 75 | 111.4 Ų | 111.4 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | trans | -63.1 | 110.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P944 S948 | P944-A946 PolarHBondContact O-N 2.9Å; A946-S948 WeakPolarHBondContact O-CB 3.11Å; A946-S948 PolarHBondContact O-N 2.92Å; A946-S948 PolarHBondContact O-OG 3.45Å | ||
| 947 | S | 26.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 108.4 Ų | 108.4 | 80% | 0.804 | 64% | 0.641 | S | S | * | * | trans | -57.5 | 106.3 | 176.3 | 42.7 | 0 | 0 | 0 | 0 | 110.2 | V945 | V945-S947 PolarHBondContact O-N 3.13Å; V945-S947 VanDerWaalsContact O-N 3.07Å | ||
| 948 | S | 25.8 | Very low | 31.5 | Very low | 99 Ų | 99 | 109.1 Ų | 109.1 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | trans | -127.5 | 26.3 | -167.1 | 39 | 0 | 0 | 0 | 0 | 113.6 | A946 | A946-S948 WeakPolarHBondContact O-CB 3.11Å; A946-S948 PolarHBondContact O-N 2.92Å; A946-S948 PolarHBondContact O-OG 3.45Å | ||
| 949 | T | 27.8 | Very low | 30.6 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -64.8 | 132.2 | 145 | 33.5 | 0 | 0 | 0 | 0 | 109.2 | T951 | T949-T951 PolarHBondContact O-N 3.1Š|
| 950 | P | 24.5 | Very low | 29.6 | Very low | 131 Ų | 131 | 114.4 Ų | 114.4 | 85% | 0.851 | 68% | 0.677 | S | S | * | * | trans | -76.5 | 91 | -173.2 | 30.4 | -35.4 | 0 | 0 | 0 | 111.9 | A952 | P950-A952 PolarHBondContact O-N 2.96Š| ||
| 951 | T | 27.7 | Very low | 28.8 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -66 | 120.8 | 161.7 | 37 | 0 | 0 | 0 | 0 | 109.4 | T949 N953 | T949-T951 PolarHBondContact O-N 3.1Å; T951-N953 PolarHBondContact O-N 2.77Å |
| 952 | A | 27.2 | Very low | 28.3 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 124.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P950 | P950-A952 PolarHBondContact O-N 2.96Š|
| 953 | N | 26.8 | Very low | 27.7 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 68% | 0.684 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.4 | -173.3 | -71.7 | -10.6 | 0 | 0 | 0 | 113.3 | T951 | T951-N953 PolarHBondContact O-N 2.77Š|
| 954 | H | 29 | Very low | 27.6 | Very low | 96 Ų | 96 | 133 Ų | 133 | 44% | 0.444 | 75% | 0.752 | S | S | . | * | trans | -145.3 | 54 | 148.2 | -100.8 | -65.8 | 0 | 0 | 0 | 112.1 | K956 Q1014 T1016 | H954-K956 PolarHBondContact O-N 2.71Å; H954-Q1014 VanDerWaalsContact CG-CD 3.4Å; H954-T1016 PolarHBondContact CD2-OG1 3.23Å; H954-T1016 PolarHBondContact NE2-OG1 3.36Å | ||
| 955 | E | 26.2 | Very low | 27.6 | Very low | 175 Ų | 175 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -65.1 | 111.5 | 161.5 | -68.5 | -173 | 139.1 | 0 | 0 | 110.4 | ||||
| 956 | K | 26.4 | Very low | 27.2 | Very low | 200 Ų | 200 | 137.2 Ų | 137.2 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | trans | 179.7 | 135.8 | 132 | -99.3 | 157.6 | -174 | 176.4 | 0 | 111.9 | H954 | H954-K956 PolarHBondContact O-N 2.71Š| ||
| 957 | A | 26.4 | Very low | 27.5 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | 67.2 | 140.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 958 | L | 28.5 | Very low | 27.6 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | cis | -101.3 | 159.6 | 1.3 | -112.1 | 82.2 | 0 | 0 | 0 | 113.7 | ||||
| 959 | H | 27.6 | Very low | 27.9 | Very low | 166 Ų | 166 | 146 Ų | 146 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -100.7 | 161.5 | 173.4 | -122 | -83 | 0 | 0 | 0 | 111 | ||||
| 960 | N | 25.5 | Very low | 27.9 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | trans | 72.3 | 110.8 | 161.3 | -52.8 | -15 | 0 | 0 | 0 | 118 | ||||
| 961 | Y | 27.6 | Very low | 28.2 | Very low | 238 Ų | 238 | 146.6 Ų | 146.6 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | -142.2 | 133.1 | 98 | -101.6 | -79.2 | 0 | 0 | 0 | 109.5 | |||||
| 962 | T | 28.7 | Very low | 28.2 | Very low | 119 Ų | 119 | 147 Ų | 147 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | -93.7 | 146.9 | -176 | 27.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 963 | C | 23.4 | Very low | 28.3 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -72.9 | 147 | 170.9 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 964 | F | 28.7 | Very low | 28.4 | Very low | 203 Ų | 203 | 149 Ų | 149 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -141.1 | 145.8 | 154.6 | -94.8 | -80.1 | 0 | 0 | 0 | 109.5 | ||||
| 965 | N | 29.9 | Very low | 28.7 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -98.3 | 166.6 | -177.9 | -72.5 | -43.6 | 0 | 0 | 0 | 112.1 | ||||
| 966 | D | 29.2 | Very low | 28.7 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -41.9 | 158.3 | 163.2 | -118 | -17.4 | 0 | 0 | 0 | 113.4 | ||||
| 967 | P | 33.4 | Very low | 29.1 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -139.3 | 159.9 | 42.3 | 39.9 | -21.7 | 0 | 0 | 0 | 118.9 | ||||
| 968 | R | 28.5 | Very low | 29.2 | Very low | 206 Ų | 206 | 145.6 Ų | 145.6 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | trans | 8.4 | 129.8 | 142.5 | -42.1 | 176.8 | -171 | 171.9 | 1.9 | 119.1 | ||||
| 969 | D | 32.6 | Very low | 29.6 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | -173.4 | 173.4 | 97.2 | -97.1 | -8.6 | 0 | 0 | 0 | 111 | |||||
| 970 | D | 28.4 | Very low | 29.6 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -63.8 | 141.6 | -173.7 | -62 | -65.2 | 0 | 0 | 0 | 113.6 | ||||
| 971 | S | 31.2 | Very low | 29.8 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | 177.7 | 139.1 | 81 | 39.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 972 | V | 27.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 7.4 | 116 | 148 | -170.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 973 | C | 29.3 | Very low | 29.5 | Very low | 127 Ų | 127 | 138 Ų | 138 | 86% | 0.858 | 80% | 0.798 | S | S | * | * | -166.3 | 146.9 | 121.3 | -112.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 974 | T | 28.8 | Very low | 29.8 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -95.3 | 172.7 | -162.3 | 28.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 975 | P | 34.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -112.9 | 175.3 | -151.8 | 43.1 | -37.8 | 0 | 0 | 0 | 117.4 | ||||
| 976 | S | 27.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -160.7 | 155.8 | 161.4 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 977 | S | 34.6 | Very low | 29.8 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | cis | -163 | 132.7 | -13 | 45 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 978 | D | 28.7 | Very low | 29.5 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | 63.8 | 153.7 | 146.7 | -62.6 | -38.6 | 0 | 0 | 0 | 125.1 | ||||
| 979 | P | 36.1 | Very low | 29.6 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -122 | 165.2 | -172.3 | 43.1 | -29.6 | 0 | 0 | 0 | 115.8 | ||||
| 980 | S | 27.2 | Very low | 29.6 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 170.8 | 168.4 | 150.6 | 57.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 981 | S | 29.2 | Very low | 29.7 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | cis | -148.6 | 178.6 | 8.9 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 982 | F | 25 | Very low | 29.5 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -78.7 | 156.1 | -178.9 | -76.2 | -117.2 | 0 | 0 | 0 | 113.8 | ||||
| 983 | T | 26.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | -179.1 | 138.6 | 113.4 | 24.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 984 | P | 27.9 | Very low | 29.7 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | trans | -97.8 | 161 | 163.4 | 37.7 | -32.2 | 0 | 0 | 0 | 111.9 | ||||
| 985 | F | 29.7 | Very low | 29.6 | Very low | 196 Ų | 196 | 138.2 Ų | 138.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -131.7 | 141.3 | 174.3 | -103.9 | -85.5 | 0 | 0 | 0 | 113.7 | ||||
| 986 | V | 27.5 | Very low | 29.2 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -137 | 133.1 | 178.7 | 174 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 987 | S | 30.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -151 | 120.9 | 164.3 | -171.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 988 | K | 28.7 | Very low | 28.8 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | 52.6 | 126.3 | 73.5 | -67 | -166.9 | 178.4 | -174.3 | 0 | 112 | |||||
| 989 | D | 30.7 | Very low | 28.6 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | cis | -146.2 | 174.5 | 28 | -107.1 | -18.4 | 0 | 0 | 0 | 114.7 | ||||
| 990 | P | 32.2 | Very low | 28.1 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | trans | -99.2 | 151.4 | -171.2 | 37.5 | -34.4 | 0 | 0 | 0 | 115.6 | ||||
| 991 | K | 30.4 | Very low | 28.2 | Very low | 217 Ų | 217 | 141.5 Ų | 141.5 | 94% | 0.943 | 80% | 0.801 | S | S | * | * | trans | -136.7 | 152.7 | 155.6 | -74 | -168.2 | 177.4 | 178.7 | 0 | 112.1 | ||||
| 992 | S | 27.5 | Very low | 28.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -96.8 | 174 | -167.2 | 57 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 993 | P | 33 | Very low | 28.5 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -90.7 | 164.2 | -148.9 | 36.7 | -38.4 | 0 | 0 | 0 | 114.9 | ||||
| 994 | D | 26.4 | Very low | 28.9 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -123 | 150.3 | 157 | -133.6 | -34.5 | 0 | 0 | 0 | 109.5 | ||||
| 995 | L | 27.3 | Very low | 29.1 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -139 | 84.4 | -159.3 | -133.7 | 178.2 | 0 | 0 | 0 | 112.4 | ||||
| 996 | T | 26.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -139.5 | 134.1 | 177.9 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 997 | T | 27.6 | Very low | 29.5 | Very low | 142 Ų | 142 | 130.4 Ų | 130.4 | 87% | 0.871 | 73% | 0.733 | S | S | * | * | trans | 58.5 | 138 | 153.8 | 57.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 998 | G | 25.4 | Very low | 29.7 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | trans | 116.7 | 83.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | S1000 | G998-S1000 PolarHBondContact O-N 2.88Š| ||
| 999 | E | 25 | Very low | 29.6 | Very low | 198 Ų | 198 | 122.2 Ų | 122.2 | 93% | 0.925 | 71% | 0.706 | S | S | * | * | trans | -33.5 | 116.9 | 164.6 | -59.5 | 167.9 | 144.7 | 0 | 0 | 115.7 | ||||
| 1000 | S | 26.4 | Very low | 29.8 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | trans | -168.4 | 147.1 | 143.3 | 45 | 0 | 0 | 0 | 0 | 111.4 | G998 | G998-S1000 PolarHBondContact O-N 2.88Š| ||
| 1001 | L | 29.1 | Very low | 29.8 | Very low | 166 Ų | 166 | 121.8 Ų | 121.8 | 87% | 0.869 | 70% | 0.697 | S | S | * | * | trans | -73.7 | 122 | 171 | -89.5 | 159.7 | 0 | 0 | 0 | 109.3 | N1003 | L1001-N1003 PolarHBondContact O-N 3.4Š| ||
| 1002 | P | 28.1 | Very low | 29.7 | Very low | 95 Ų | 95 | 119 Ų | 119 | 62% | 0.617 | 69% | 0.685 | S | S | * | * | trans | -64.8 | 129 | 174.9 | 27 | -33.4 | 0 | 0 | 0 | 109.3 | I1004 | P1002-I1004 WeakPolarHBondContact O-CG1 3.34Å; P1002-I1004 PolarHBondContact O-N 2.95Å; P1002-I1004 VanDerWaalsContact O-CG1 3.3Å | ||
| 1003 | N | 31.4 | Very low | 29.8 | Very low | 103 Ų | 103 | 121 Ų | 121 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | trans | -75.8 | 87.8 | -167.4 | -161.8 | -12.8 | 0 | 0 | 0 | 111.4 | L1001 M1005 N1006 | L1001-N1003 PolarHBondContact O-N 3.4Å; N1003-M1005 PolarHBondContact O-N 3.47Å; N1003-N1006 PolarHBondContact O-N 3.45Å | ||
| 1004 | I | 34.6 | Very low | 29.5 | Very low | 64 Ų | 64 | 120.3 Ų | 120.3 | 33% | 0.328 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -52.7 | -28.3 | -164.4 | -55.8 | -176.1 | 0 | 0 | 0 | 113.6 | L37 P1002 N1006 E1007 | L37-I1004 HydrophobicContact CD1-CG2 4.22Å; P1002-I1004 WeakPolarHBondContact O-CG1 3.34Å; P1002-I1004 PolarHBondContact O-N 2.95Å; P1002-I1004 VanDerWaalsContact O-CG1 3.3Å; I1004-N1006 VanDerWaalsContact C-N 3.27Å; I1004-N1006 PolarHBondContact O-N 2.91Å; I1004-E1007 PolarHBondContact O-N 3.06Å |
| 1005 | M | 33.2 | Very low | 29.4 | Very low | 139 Ų | 139 | 121.6 Ų | 121.6 | 69% | 0.685 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -64.6 | -26.9 | 179.9 | -58.5 | -169.8 | -61.6 | 0 | 0 | 113.8 | N1003 E1007 | N1003-M1005 PolarHBondContact O-N 3.47Å; M1005-E1007 VanDerWaalsContact C-N 3.33Å; M1005-E1007 PolarHBondContact O-N 3.12Å |
| 1006 | N | 31.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 55% | 0.551 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -76 | -15.3 | -176.7 | -74.1 | -25.4 | 0 | 0 | 0 | 113.9 | N1003 I1004 K1012 | N1003-N1006 PolarHBondContact O-N 3.45Å; I1004-N1006 VanDerWaalsContact C-N 3.27Å; I1004-N1006 PolarHBondContact O-N 2.91Å; N1006-K1012 PolarHBondContact OD1-NZ 2.82Å |
| 1007 | E | 33.2 | Very low | 29.3 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -88.3 | -4.3 | -178.4 | -68.8 | -170.2 | 148.1 | 0 | 0 | 114.6 | I1004 M1005 | I1004-E1007 PolarHBondContact O-N 3.06Å; M1005-E1007 VanDerWaalsContact C-N 3.33Å; M1005-E1007 PolarHBondContact O-N 3.12Å |
| 1008 | L | 34.1 | Very low | 29.3 | Very low | 38 Ų | 38 | 121.2 Ų | 121.2 | 20% | 0.199 | 66% | 0.657 | C | S | . | * | S | Bend | trans | -113.7 | -1.6 | -166.7 | -81.3 | 171.3 | 0 | 0 | 0 | 116 | L37 L1010 | L37-L1008 HydrophobicContact CB-CD1 4.13Å; L37-L1008 HydrophobicContact CD1-CD1 3.87Å; L37-L1008 HydrophobicContact CD2-CD1 4.1Å; L37-L1008 HydrophobicContact CG-CD1 4.25Å; L1008-L1010 HydrophobicContact CB-CD1 4.46Å; L1008-L1010 VanDerWaalsContact O-N 3.07Å; L1008-L1010 PolarHBondContact O-N 3.36Å; L1008-L1010 HydrophobicContact CB-CG 4.25Å |
| 1009 | G | 28.6 | Very low | 29.3 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 65% | 0.651 | S | S | * | * | trans | 61.4 | 18 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | D1011 | G1009-D1011 PolarHBondContact O-N 3.07Š| ||
| 1010 | L | 34.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 47% | 0.471 | 65% | 0.646 | S | S | . | * | trans | -66.7 | 126.2 | 174 | -64 | 172.4 | 0 | 0 | 0 | 108.9 | L1008 K1012 | L1008-L1010 HydrophobicContact CB-CD1 4.46Å; L1008-L1010 VanDerWaalsContact O-N 3.07Å; L1008-L1010 PolarHBondContact O-N 3.36Å; L1008-L1010 HydrophobicContact CB-CG 4.25Å; L1010-K1012 PolarHBondContact O-N 3.43Å | ||
| 1011 | D | 31.4 | Very low | 29.5 | Very low | 156 Ų | 156 | 122.2 Ų | 122.2 | 83% | 0.834 | 65% | 0.646 | S | S | * | * | trans | -58 | 121.2 | -174.2 | -84.3 | -53 | 0 | 0 | 0 | 112.3 | G1009 L1013 | G1009-D1011 PolarHBondContact O-N 3.07Å; D1011-L1013 PolarHBondContact O-N 2.67Å | ||
| 1012 | K | 28.9 | Very low | 29.2 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 69% | 0.691 | 64% | 0.641 | S | S | * | * | trans | -77.1 | 78.3 | 167.5 | -70 | 179.4 | -178.4 | 170.6 | 0 | 108.8 | N1006 L1010 Q1014 | N1006-K1012 PolarHBondContact OD1-NZ 2.82Å; L1010-K1012 PolarHBondContact O-N 3.43Å; K1012-Q1014 PolarHBondContact O-N 3.11Å | ||
| 1013 | L | 28.2 | Very low | 29.1 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 82% | 0.817 | 65% | 0.651 | S | S | * | * | trans | -47 | 126.4 | 157.9 | -80.2 | 169.6 | 0 | 0 | 0 | 107.8 | D1011 M1015 | D1011-L1013 PolarHBondContact O-N 2.67Å; L1013-M1015 PolarHBondContact O-N 3.2Å | ||
| 1014 | Q | 26.7 | Very low | 28.8 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 49% | 0.486 | 66% | 0.664 | S | S | . | * | trans | -67.4 | 135.9 | -146.9 | -66.5 | 89.3 | -17.8 | 0 | 0 | 113.3 | H954 K1012 T1016 | H954-Q1014 VanDerWaalsContact CG-CD 3.4Å; K1012-Q1014 PolarHBondContact O-N 3.11Å; Q1014-T1016 PolarHBondContact O-N 3.36Å | ||
| 1015 | M | 25.5 | Very low | 28.4 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 91% | 0.911 | 68% | 0.683 | S | S | * | * | trans | -68.8 | 84.9 | 150.1 | -76 | -174.7 | 69.6 | 0 | 0 | 108.7 | L1013 Q1017 | L1013-M1015 PolarHBondContact O-N 3.2Å; M1015-Q1017 PolarHBondContact O-N 3.1Å | ||
| 1016 | T | 26.8 | Very low | 28.3 | Very low | 77 Ų | 77 | 131.2 Ų | 131.2 | 47% | 0.472 | 69% | 0.69 | S | S | . | * | trans | -60.9 | 128.1 | 169.6 | -46 | 0 | 0 | 0 | 0 | 109.1 | H954 Q1014 H1018 | H954-T1016 PolarHBondContact CD2-OG1 3.23Å; H954-T1016 PolarHBondContact NE2-OG1 3.36Å; Q1014-T1016 PolarHBondContact O-N 3.36Å; T1016-H1018 VanDerWaalsContact O-N 3.1Å; T1016-H1018 PolarHBondContact O-N 2.97Å | ||
| 1017 | Q | 25 | Very low | 28 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | trans | -75.2 | 100.6 | -169.8 | -66.6 | 173.1 | -15.9 | 0 | 0 | 112 | M1015 A1019 | M1015-Q1017 PolarHBondContact O-N 3.1Å; Q1017-A1019 PolarHBondContact O-N 3.42Å; Q1017-A1019 VanDerWaalsContact O-N 3.11Å | ||
| 1018 | H | 26.5 | Very low | 27.8 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | trans | -81.5 | 73 | 158.1 | -96.2 | -83.6 | 0 | 0 | 0 | 110.4 | T1016 E1020 | T1016-H1018 VanDerWaalsContact O-N 3.1Å; T1016-H1018 PolarHBondContact O-N 2.97Å; H1018-E1020 PolarHBondContact O-N 3.07Å | ||
| 1019 | A | 25.9 | Very low | 27.5 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | trans | -89.4 | 79 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q1017 I1021 | Q1017-A1019 PolarHBondContact O-N 3.42Å; Q1017-A1019 VanDerWaalsContact O-N 3.11Å; A1019-I1021 VanDerWaalsContact C-N 3.29Å; A1019-I1021 PolarHBondContact O-N 3.18Å | ||
| 1020 | E | 29.6 | Very low | 27.4 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | -73.7 | 85.9 | 170.5 | -72.5 | -162.9 | 140.6 | 0 | 0 | 111.3 | H1018 | H1018-E1020 PolarHBondContact O-N 3.07Š| ||
| 1021 | I | 25.6 | Very low | 27 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 21.5 | 124.3 | 132.2 | -59.4 | 172.9 | 0 | 0 | 0 | 116.8 | A1019 | A1019-I1021 VanDerWaalsContact C-N 3.29Å; A1019-I1021 PolarHBondContact O-N 3.18Å | ||
| 1022 | C | 23.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 146.8 Ų | 146.8 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | trans | 69.1 | 129.3 | 168.9 | -70 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1023 | N | 27 | Very low | 26.8 | Very low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | cis | -136.7 | 161.9 | 34.1 | -127.7 | -14.6 | 0 | 0 | 0 | 115.3 | ||||
| 1024 | R | 24.9 | Very low | 26.8 | Very low | 215 Ų | 215 | 141.1 Ų | 141.1 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | trans | -82.4 | 163.9 | 169.7 | -107.6 | -174.3 | -179.1 | 127 | -1.2 | 111.2 | ||||
| 1025 | D | 25.6 | Very low | 26.8 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | 58.3 | 100.9 | 156.6 | -53.8 | -35.4 | 0 | 0 | 0 | 119 | ||||
| 1026 | T | 30.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | -161.9 | 138.8 | 119.2 | 8.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1027 | K | 25.5 | Very low | 26.8 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -101.2 | 122 | 171.9 | -68.8 | 175.7 | 178.8 | 175.1 | 0 | 110.2 | ||||
| 1028 | Y | 30 | Very low | 26.9 | Very low | 204 Ų | 204 | 138.1 Ų | 138.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -142 | 119.6 | 150.2 | -71.5 | -78 | 0 | 0 | 0 | 106.5 | ||||
| 1029 | L | 27.1 | Very low | 26.9 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | 66 | 130.5 | 59.1 | -57.9 | 171.4 | 0 | 0 | 0 | 111.1 | |||||
| 1030 | S | 26.2 | Very low | 26.9 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | cis | -166.9 | 162.4 | 5.8 | -119.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1031 | T | 26.3 | Very low | 26.7 | Very low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | 60.8 | 144.3 | 153 | 53.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1032 | L | 29.7 | Very low | 26.6 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | cis | -137.8 | 151.9 | 37.6 | -80.3 | 161.1 | 0 | 0 | 0 | 113.8 | ||||
| 1033 | S | 26.2 | Very low | 26.7 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -127.6 | 150 | 166 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1034 | G | 28 | Very low | 26.6 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | -174 | 124.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1035 | C | 28.6 | Very low | 26.6 | Very low | 123 Ų | 123 | 133 Ų | 133 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | 21.7 | 113.1 | 153.4 | -58 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1036 | S | 25.2 | Very low | 26.5 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | cis | 94.2 | 126.6 | 49.8 | 70.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1037 | S | 26.4 | Very low | 26.2 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | 68.3 | 149.8 | 154.4 | 59.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1038 | E | 27.7 | Very low | 26.2 | Very low | 147 Ų | 147 | 124 Ų | 124 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | 83.2 | 99.3 | 161.5 | -56.1 | -124.6 | 94.5 | 0 | 0 | 119.5 | ||||
| 1039 | K | 25.9 | Very low | 26 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | 56.9 | 123.6 | 123.4 | -70 | -179.9 | -172.3 | 133.5 | 0 | 121.9 | |||||
| 1040 | D | 24.6 | Very low | 25.9 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | 70.9 | 162 | 134 | -64.9 | -48 | 0 | 0 | 0 | 120.3 | ||||
| 1041 | T | 25.8 | Very low | 25.8 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 77% | 0.767 | 72% | 0.721 | S | S | * | * | trans | 60.2 | 96.7 | 172.8 | 48.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1042 | S | 23.6 | Very low | 25.8 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 47.7 | 123.8 | 131.5 | 61.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1043 | I | 26.5 | Very low | 25.5 | Very low | 157 Ų | 157 | 122.8 Ų | 122.8 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | -172.9 | 130.2 | 110.5 | -94.7 | 153.2 | 0 | 0 | 0 | 108.7 | |||||
| 1044 | Q | 24 | Very low | 25.4 | Very low | 141 Ų | 141 | 124.9 Ų | 124.9 | 66% | 0.659 | 71% | 0.707 | S | S | * | * | trans | -73.9 | 151.3 | 163.9 | -79.3 | -173.3 | -17.7 | 0 | 0 | 109.2 | S741 T1046 | S741-Q1044 PolarHBondContact OG-OE1 2.8Å; Q1044-T1046 PolarHBondContact OE1-OG1 2.65Å | ||
| 1045 | P | 24.4 | Very low | 25.2 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 70% | 0.695 | 70% | 0.704 | S | S | * | * | -120 | 145.7 | 106.3 | 34.1 | -34.2 | 0 | 0 | 0 | 112.2 | |||||
| 1046 | T | 24 | Very low | 25.2 | Very low | 50 Ų | 50 | 132.6 Ų | 132.6 | 31% | 0.307 | 71% | 0.711 | S | S | . | * | trans | -85.2 | -174.4 | 178.4 | -28.7 | 0 | 0 | 0 | 0 | 110 | D740 S741 Q1044 | D740-T1046 VanDerWaalsContact CB-CB 3.46Å; D740-T1046 HydrophobicContact CB-CG2 4.08Å; S741-T1046 WeakPolarHBondContact CB-OG1 3.4Å; S741-T1046 PolarHBondContact OG-OG1 2.89Å; S741-T1046 VanDerWaalsContact OG-OG1 3.13Å; Q1044-T1046 PolarHBondContact OE1-OG1 2.65Å | ||
| 1047 | L | 25.2 | Very low | 25.3 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 75% | 0.754 | 71% | 0.713 | S | S | * | * | trans | -144.3 | 130.4 | 142.2 | -109.3 | 168.1 | 0 | 0 | 0 | 108.4 | D740 | D740-L1047 WeakPolarHBondContact OD1-CA 3.21Š| ||
| 1048 | T | 25.2 | Very low | 25.2 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 49% | 0.485 | 72% | 0.72 | S | S | . | * | trans | -74.3 | 160.2 | -176.3 | 25.9 | 0 | 0 | 0 | 0 | 115 | D740 | D740-T1048 HydrophobicContact CB-CG2 3.93Å; D740-T1048 PolarHBondContact OD1-N 3.27Å; D740-T1048 PolarHBondContact OD1-OG1 3.13Å | ||
| 1049 | V | 25.3 | Very low | 25.4 | Very low | 135 Ų | 135 | 142.1 Ų | 142.1 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | -44.5 | 135.2 | 161.7 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1050 | S | 25.7 | Very low | 25.6 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | trans | -133.9 | 133.2 | 154.1 | 53.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1051 | E | 23.6 | Very low | 26 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -76.2 | 122.3 | 174.9 | -63.6 | 167.2 | 122.6 | 0 | 0 | 108.3 | ||||
| 1052 | Y | 25.7 | Very low | 26.1 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | -126.3 | 95.4 | 170.7 | -92.3 | -80.9 | 0 | 0 | 0 | 110.6 | ||||
| 1053 | S | 23.3 | Very low | 26.5 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | trans | -73 | 151.5 | 156.5 | 47.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1054 | H | 24.9 | Very low | 26.5 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 76.8 | 158.6 | 172 | -43.3 | -71.6 | 0 | 0 | 0 | 117.8 | ||
| 1055 | I | 24.7 | Very low | 26.6 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | 68.3 | 98.4 | 171.4 | -46.3 | 172.6 | 0 | 0 | 0 | 115.5 | D1057 | I1055-D1057 HydrophobicContact CG2-CB 4.06Å; I1055-D1057 WeakPolarHBondContact CG2-OD2 3.3Å | ||
| 1056 | F | 26.6 | Very low | 26.7 | Very low | 223 Ų | 223 | 142 Ų | 142 | 98% | 0.978 | 75% | 0.745 | S | S | * | * | trans | -116.9 | 75 | 151.8 | -96.2 | -74 | 0 | 0 | 0 | 108.6 | ||||
| 1057 | D | 27.7 | Very low | 27 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -76.6 | 163.8 | 169.3 | -90.9 | -53.7 | 0 | 0 | 0 | 111.5 | I1055 E1059 | I1055-D1057 HydrophobicContact CG2-CB 4.06Å; I1055-D1057 WeakPolarHBondContact CG2-OD2 3.3Å; D1057-E1059 PolarHBondContact O-N 3.44Å | ||
| 1058 | Y | 25.8 | Very low | 27.2 | Very low | 238 Ų | 238 | 146 Ų | 146 | 93% | 0.933 | 76% | 0.763 | S | S | * | * | trans | -70.9 | 114.2 | 176 | -101.8 | -112.9 | 0 | 0 | 0 | 112 | ||||
| 1059 | E | 30.9 | Very low | 27.9 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -138.8 | 137.2 | 150.1 | -79.4 | -150 | 137 | 0 | 0 | 112.2 | D1057 | D1057-E1059 PolarHBondContact O-N 3.44Š| ||
| 1060 | P | 30.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -87.5 | 110.3 | 178.5 | 33.3 | -31.6 | 0 | 0 | 0 | 111.6 | V1062 | P1060-V1062 PolarHBondContact O-N 3.11Š| ||
| 1061 | N | 32.3 | Very low | 29.1 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -67.1 | 124.3 | 176.7 | -98.1 | -51.4 | 0 | 0 | 0 | 112.2 | ||||
| 1062 | V | 28.6 | Very low | 29.8 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -80.4 | 123.3 | -176.9 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | P1060 | P1060-V1062 PolarHBondContact O-N 3.11Š| ||
| 1063 | I | 31.3 | Very low | 30.5 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | -117.4 | 123.7 | 165.3 | -62.7 | -178.5 | 0 | 0 | 0 | 108.5 | S1065 | I1063-S1065 PolarHBondContact O-N 3.35Å; I1063-S1065 VanDerWaalsContact O-N 3.13Å | ||
| 1064 | N | 26.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -71.4 | 105.6 | -167 | -66.9 | -46.1 | 0 | 0 | 0 | 113 | ||||
| 1065 | S | 26.5 | Very low | 32.1 | Very low | 75 Ų | 75 | 140.2 Ų | 140.2 | 52% | 0.524 | 71% | 0.706 | S | S | . | * | trans | -148.9 | 140.9 | 157.2 | 58.7 | 0 | 0 | 0 | 0 | 109.7 | I1063 I1067 | I1063-S1065 PolarHBondContact O-N 3.35Å; I1063-S1065 VanDerWaalsContact O-N 3.13Å; S1065-I1067 PolarHBondContact O-N 2.91Å | ||
| 1066 | P | 26.6 | Very low | 32.7 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 89% | 0.89 | 69% | 0.692 | S | S | * | * | trans | -83.1 | 51.8 | -172.4 | 35.5 | -37.5 | 0 | 0 | 0 | 112.2 | ||||
| 1067 | I | 29.6 | Very low | 33.2 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 72% | 0.723 | 68% | 0.678 | S | S | * | * | trans | -81.8 | 125.3 | 175.3 | -60.4 | 177.8 | 0 | 0 | 0 | 108.1 | S1065 D1069 | S1065-I1067 PolarHBondContact O-N 2.91Å; I1067-D1069 PolarHBondContact O-N 3.36Å | ||
| 1068 | L | 29.3 | Very low | 33.8 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | trans | -66.4 | 101.3 | -177.9 | -82.6 | 159.7 | 0 | 0 | 0 | 110.9 | L1070 L1073 | L1068-L1070 PolarHBondContact O-N 2.88Å; L1068-L1070 VanDerWaalsContact O-N 3.08Å; L1068-L1073 HydrophobicContact CB-CD1 4.1Å; L1068-L1073 HydrophobicContact CD2-CD1 4.38Å | ||
| 1069 | D | 40.1 | Very low | 34.3 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 40% | 0.396 | 66% | 0.658 | S | S | . | * | trans | -56.1 | 110.9 | 174 | 174.9 | -4.5 | 0 | 0 | 0 | 110.6 | I1067 E1071 R1072 L1073 | I1067-D1069 PolarHBondContact O-N 3.36Å; D1069-E1071 PolarHBondContact OD1-N 2.96Å; D1069-E1071 PolarHBondContact O-N 3.02Å; D1069-E1071 WeakPolarHBondContact OD1-CB 3.28Å; D1069-E1071 VanDerWaalsContact C-N 3.26Å; D1069-E1071 WeakPolarHBondContact OD1-CA 3.28Å; D1069-R1072 HydrophobicContact CB-CG 4.22Å; D1069-R1072 PolarHBondContact O-N 3.43Å; D1069-R1072 PolarHBondContact OD1-N 3.32Å; D1069-R1072 VanDerWaalsContact OD1-N 3.14Å; D1069-R1072 VanDerWaalsContact OD2-CD 3.22Å; D1069-R1072 WeakPolarHBondContact OD2-CD 3.32Å; D1069-R1072 WeakPolarHBondContact OD2-CG 3.44Å; D1069-R1072 IonicContact OD2-NE 3.21Å; D1069-R1072 HydrophobicContact CB-CB 3.99Å; D1069-L1073 PolarHBondContact O-N 3.21Å | ||
| 1070 | L | 37.7 | Very low | 34.4 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 59% | 0.592 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.1 | -24 | -178.3 | -104.6 | 158.2 | 0 | 0 | 0 | 112.7 | L1068 R1074 | L1068-L1070 PolarHBondContact O-N 2.88Å; L1068-L1070 VanDerWaalsContact O-N 3.08Å; L1070-R1074 WeakPolarHBondContact O-CB 3.3Å; L1070-R1074 WeakPolarHBondContact O-CD 3.39Å; L1070-R1074 WeakPolarHBondContact O-CG 3.44Å; L1070-R1074 PolarHBondContact O-N 2.79Å |
| 1071 | E | 38.7 | Very low | 34.6 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.1 | -39.7 | 172.7 | -58.9 | -153.2 | 130.3 | 0 | 0 | 111 | D1069 L1073 R1074 S1075 | D1069-E1071 PolarHBondContact OD1-N 2.96Å; D1069-E1071 PolarHBondContact O-N 3.02Å; D1069-E1071 WeakPolarHBondContact OD1-CB 3.28Å; D1069-E1071 VanDerWaalsContact C-N 3.26Å; D1069-E1071 WeakPolarHBondContact OD1-CA 3.28Å; E1071-L1073 PolarHBondContact O-N 3.45Å; E1071-R1074 CarbonylContact O-C 3.58Å; E1071-R1074 PolarHBondContact O-N 3.14Å; E1071-R1074 VanDerWaalsContact O-N 3.17Å; E1071-S1075 PolarHBondContact O-N 3.35Å; E1071-S1075 WeakPolarHBondContact O-CB 3.31Å |
| 1072 | R | 37.6 | Very low | 34.7 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.2 | -44 | 170.3 | -81.2 | 174.2 | 177.8 | -161.9 | -2.8 | 111.9 | D1069 R1074 S1075 L1076 | D1069-R1072 HydrophobicContact CB-CG 4.22Å; D1069-R1072 PolarHBondContact O-N 3.43Å; D1069-R1072 PolarHBondContact OD1-N 3.32Å; D1069-R1072 VanDerWaalsContact OD1-N 3.14Å; D1069-R1072 VanDerWaalsContact OD2-CD 3.22Å; D1069-R1072 WeakPolarHBondContact OD2-CD 3.32Å; D1069-R1072 WeakPolarHBondContact OD2-CG 3.44Å; D1069-R1072 IonicContact OD2-NE 3.21Å; D1069-R1072 HydrophobicContact CB-CB 3.99Å; R1072-R1074 VanDerWaalsContact C-N 3.33Å; R1072-R1074 PolarHBondContact O-N 2.98Å; R1072-S1075 WeakPolarHBondContact CA-OG 3.46Å; R1072-S1075 PolarHBondContact O-N 3.45Å; R1072-S1075 VanDerWaalsContact O-N 3.09Å; R1072-S1075 PolarHBondContact O-OG 3.34Å; R1072-L1076 PolarHBondContact O-N 2.68Å; R1072-L1076 VanDerWaalsContact O-N 3.08Å |
| 1073 | L | 40.5 | Very low | 35.1 | Very low | 82 Ų | 82 | 125 Ų | 125 | 43% | 0.429 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.3 | -37.8 | 173.2 | -81.3 | 166.7 | 0 | 0 | 0 | 112.8 | L1068 D1069 E1071 S1075 L1076 | L1068-L1073 HydrophobicContact CB-CD1 4.1Å; L1068-L1073 HydrophobicContact CD2-CD1 4.38Å; D1069-L1073 PolarHBondContact O-N 3.21Å; E1071-L1073 PolarHBondContact O-N 3.45Å; L1073-S1075 VanDerWaalsContact C-N 3.32Å; L1073-L1076 PolarHBondContact O-N 2.98Å; L1073-L1076 HydrophobicContact CD2-CD1 4.15Å |
| 1074 | R | 40.3 | Very low | 35.3 | Very low | 185 Ų | 185 | 123.2 Ų | 123.2 | 70% | 0.698 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -72.4 | -21.4 | 173.4 | -73.5 | 166.5 | 176.8 | 179.1 | -1.7 | 113.6 | L1070 E1071 R1072 | L1070-R1074 WeakPolarHBondContact O-CB 3.3Å; L1070-R1074 WeakPolarHBondContact O-CD 3.39Å; L1070-R1074 WeakPolarHBondContact O-CG 3.44Å; L1070-R1074 PolarHBondContact O-N 2.79Å; E1071-R1074 CarbonylContact O-C 3.58Å; E1071-R1074 PolarHBondContact O-N 3.14Å; E1071-R1074 VanDerWaalsContact O-N 3.17Å; R1072-R1074 VanDerWaalsContact C-N 3.33Å; R1072-R1074 PolarHBondContact O-N 2.98Å |
| 1075 | S | 41.8 | Very low | 35.8 | Very low | 36 Ų | 36 | 121.3 Ų | 121.3 | 25% | 0.252 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -87.4 | -14.6 | 175 | 75.3 | 0 | 0 | 0 | 0 | 114.5 | E1071 R1072 L1073 P1077 K1078 | E1071-S1075 PolarHBondContact O-N 3.35Å; E1071-S1075 WeakPolarHBondContact O-CB 3.31Å; R1072-S1075 WeakPolarHBondContact CA-OG 3.46Å; R1072-S1075 PolarHBondContact O-N 3.45Å; R1072-S1075 VanDerWaalsContact O-N 3.09Å; R1072-S1075 PolarHBondContact O-OG 3.34Å; L1073-S1075 VanDerWaalsContact C-N 3.32Å; S1075-P1077 VanDerWaalsContact C-N 3.34Å; S1075-K1078 CarbonylContact O-C 3.59Å; S1075-K1078 WeakPolarHBondContact O-CA 3.41Å; S1075-K1078 WeakPolarHBondContact O-CB 3.3Å; S1075-K1078 PolarHBondContact O-N 3.37Å |
| 1076 | L | 36.4 | Very low | 36.5 | Very low | 78 Ų | 78 | 124.3 Ų | 124.3 | 41% | 0.408 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -57.1 | -36.9 | -176 | -110.4 | 162.2 | 0 | 0 | 0 | 114.1 | R1072 L1073 K1078 L1079 L1080 | R1072-L1076 PolarHBondContact O-N 2.68Å; R1072-L1076 VanDerWaalsContact O-N 3.08Å; L1073-L1076 PolarHBondContact O-N 2.98Å; L1073-L1076 HydrophobicContact CD2-CD1 4.15Å; L1076-K1078 PolarHBondContact O-N 3.37Å; L1076-L1079 PolarHBondContact O-N 3.5Å; L1076-L1080 HydrophobicContact CD2-CD1 4.04Å; L1076-L1080 HydrophobicContact CD2-CG 4.04Å; L1076-L1080 PolarHBondContact O-N 3.35Å |
| 1077 | P | 38.9 | Very low | 37.2 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 67% | 0.669 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -71.8 | 14.6 | 170.2 | -18.8 | 33.8 | 0 | 0 | 0 | 115.8 | S1075 | S1075-P1077 VanDerWaalsContact C-N 3.34Š|
| 1078 | K | 38.6 | Very low | 37.8 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 56% | 0.557 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -133.7 | 14.6 | 173.6 | -58.1 | 176.2 | 178.7 | 172.1 | 0 | 111.5 | S1075 L1076 | S1075-K1078 CarbonylContact O-C 3.59Å; S1075-K1078 WeakPolarHBondContact O-CA 3.41Å; S1075-K1078 WeakPolarHBondContact O-CB 3.3Å; S1075-K1078 PolarHBondContact O-N 3.37Å; L1076-K1078 PolarHBondContact O-N 3.37Å |
| 1079 | L | 37 | Very low | 38.5 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 70% | 0.702 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | -32.2 | -174.1 | -97.3 | 166.5 | 0 | 0 | 0 | 110.1 | L1076 | L1076-L1079 PolarHBondContact O-N 3.5Š|
| 1080 | L | 34 | Very low | 38.3 | Very low | 181 Ų | 181 | 124.9 Ų | 124.9 | 95% | 0.948 | 61% | 0.605 | S | S | * | * | trans | -79 | 0 | 144 | -60.1 | 170.2 | 0 | 0 | 0 | 109.8 | L1076 | L1076-L1080 HydrophobicContact CD2-CD1 4.04Å; L1076-L1080 HydrophobicContact CD2-CG 4.04Å; L1076-L1080 PolarHBondContact O-N 3.35Å |
Retrieved 1,080 of 1,080 residues in 247.2 ms
(Link to these results)