| 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 | 49.3 | Very low | 59.8 | Low | 245 Ų | 245 | 133.7 Ų | 133.7 | 100% | 1.207 | 75% | 0.753 | S | S | * | * | 0 | 119.4 | 0 | -65.5 | 168.2 | -173.2 | 0 | 0 | 106.8 | |||||
| 2 | G | 57.5 | Low | 60.3 | Low | 77 Ų | 77 | 130.5 Ų | 130.5 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | trans | -72.4 | 134.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | T | 58.8 | Low | 61.9 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | trans | -61.9 | 136.1 | 170.6 | 41 | 0 | 0 | 0 | 0 | 108.9 | R5 | T3-R5 PolarHBondContact O-N 3.45Š| ||
| 4 | P | 58.4 | Low | 63.8 | Low | 126 Ų | 126 | 116.9 Ų | 116.9 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -62.7 | 113.9 | 173.1 | 25.9 | -31.9 | 0 | 0 | 0 | 107.5 | A6 | P4-A6 PolarHBondContact O-N 3.03Š| ||
| 5 | R | 59.2 | Low | 65.5 | Low | 229 Ų | 229 | 109.2 Ų | 109.2 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | trans | -54.9 | 116.8 | 175.1 | 176.3 | -179.6 | 170.5 | 178.7 | -3.2 | 107.3 | T3 Q7 | T3-R5 PolarHBondContact O-N 3.45Å; R5-Q7 PolarHBondContact O-N 3.5Å | ||
| 6 | A | 55.2 | Low | 66.9 | Low | 72 Ų | 72 | 105.8 Ų | 105.8 | 60% | 0.595 | 59% | 0.594 | S | S | * | * | trans | -57.3 | 101.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P4 H8 | P4-A6 PolarHBondContact O-N 3.03Å; A6-H8 PolarHBondContact O-N 3.46Å; A6-H8 PolarHBondContact O-ND1 3.34Å | ||
| 7 | Q | 64.4 | Low | 68.2 | Low | 187 Ų | 187 | 100.4 Ų | 100.4 | 87% | 0.874 | 56% | 0.563 | S | S | * | * | trans | -66.6 | 106 | 171.5 | -65.4 | -175.4 | 21 | 0 | 0 | 105.3 | R5 | R5-Q7 PolarHBondContact O-N 3.5Š| ||
| 8 | H | 61.7 | Low | 69.2 | Low | 160 Ų | 160 | 97.3 Ų | 97.3 | 74% | 0.741 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 130.5 | 173.5 | -72.9 | 50.7 | 0 | 0 | 0 | 106.4 | A6 | A6-H8 PolarHBondContact O-N 3.46Å; A6-H8 PolarHBondContact O-ND1 3.34Å |
| 9 | P | 63.2 | Low | 70.2 | Confident | 112 Ų | 112 | 92.9 Ų | 92.9 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 136.1 | 176.5 | 24.2 | -32.8 | 0 | 0 | 0 | 108.1 | ||
| 10 | P | 64.1 | Low | 70.8 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 136.5 | 177.8 | 13.4 | -21.4 | 0 | 0 | 0 | 109.2 | P210 | P10-P210 HydrophobicContact CB-CB 4.01Å; P10-P210 HydrophobicContact CG-CB 3.69Å; P10-P210 WeakPolarHBondContact O-CB 3.43Å |
| 11 | P | 65.9 | Low | 70.9 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 144.9 | -174.1 | 24.6 | -33.8 | 0 | 0 | 0 | 110.3 | ||
| 12 | P | 66.4 | Low | 71.4 | Confident | 95 Ų | 95 | 79.9 Ų | 79.9 | 62% | 0.617 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 144 | 172.9 | 27.4 | -34.6 | 0 | 0 | 0 | 109.7 | G235 | P12-G235 WeakPolarHBondContact O-CA 3.29Š|
| 13 | Q | 81.1 | Confident | 71.3 | Confident | 21 Ų | 21 | 79 Ų | 79 | 10% | 0.098 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.2 | -178.9 | -60.2 | -173.8 | 26.6 | 0 | 0 | 109.7 | H207 V208 Y212 I214 T261 | Q13-H207 WeakPolarHBondContact O-CA 3.37Å; Q13-H207 WeakPolarHBondContact O-CB 3.36Å; Q13-V208 HydrophobicContact CB-CG2 4.11Å; Q13-Y212 PolarHBondContact NE2-O 2.95Å; Q13-Y212 PolarHBondContact OE1-O 2.8Å; Q13-I214 HydrophobicContact CB-CD1 4.46Å; Q13-T261 VanDerWaalsContact CD-CB 3.48Å; Q13-T261 HydrophobicContact CG-CG2 4.18Å; Q13-T261 VanDerWaalsContact OE1-CB 3.26Å; Q13-T261 PolarHBondContact OE1-OG1 3.01Å |
| 14 | L | 87.6 | Confident | 70.6 | Confident | 49 Ų | 49 | 80.8 Ų | 80.8 | 26% | 0.257 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 123.6 | -172.3 | -177.5 | 55.2 | 0 | 0 | 0 | 108.9 | F16 I206 H207 G234 | L14-F16 HydrophobicContact CD1-CE1 4.42Å; L14-F16 HydrophobicContact CD2-CE1 3.78Å; L14-F16 HydrophobicContact CD2-CE2 3.77Å; L14-F16 HydrophobicContact CD2-CZ 3.23Å; L14-F16 HydrophobicContact CG-CD2 4.39Å; L14-F16 HydrophobicContact CG-CE1 4.05Å; L14-F16 HydrophobicContact CG-CE2 3.88Å; L14-F16 HydrophobicContact CG-CZ 3.72Å; L14-I206 CarbonylContact C-O 3.54Å; L14-I206 VanDerWaalsContact CA-O 3.3Å; L14-I206 WeakPolarHBondContact CA-O 3.04Å; L14-H207 HydrophobicContact CD1-CB 4.13Å; L14-G234 PolarHBondContact N-O 2.79Å; L14-G234 CarbonylContact O-C 3.48Å; L14-G234 WeakPolarHBondContact O-CA 3.3Å; L14-G234 PolarHBondContact O-N 2.82Å |
| 15 | L | 89.1 | Confident | 70.3 | Confident | 2 Ų | 2 | 82.7 Ų | 82.7 | 1% | 0.01 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 139.5 | 162.2 | -66.4 | -176 | 0 | 0 | 0 | 108.9 | S205 I206 I214 I216 L232 A233 L245 | L15-S205 CarbonylContact O-C 3.59Å; L15-S205 WeakPolarHBondContact O-CA 3.19Å; L15-I206 HydrophobicContact CB-CB 4.38Å; L15-I206 PolarHBondContact N-O 2.8Å; L15-I206 PolarHBondContact O-N 2.81Å; L15-I214 HydrophobicContact CB-CD1 4.4Å; L15-I214 HydrophobicContact CD1-CB 3.84Å; L15-I214 HydrophobicContact CD1-CD1 4.4Å; L15-I214 HydrophobicContact CD1-CG2 3.57Å; L15-I214 HydrophobicContact CG-CB 4.26Å; L15-I214 HydrophobicContact CG-CD1 3.9Å; L15-I214 HydrophobicContact CG-CG2 4.25Å; L15-I216 HydrophobicContact CD1-CD1 3.43Å; L15-I216 VanDerWaalsContact CD1-CD1 3.43Å; L15-I216 HydrophobicContact CD1-CG1 3.93Å; L15-L232 CarbonylContact C-O 3.57Å; L15-L232 WeakPolarHBondContact CA-O 3.42Å; L15-A233 HydrophobicContact CD2-CB 3.93Å; L15-L245 HydrophobicContact CD2-CD1 3.68Å |
| 16 | F | 88.9 | Confident | 69.6 | Low | 55 Ų | 55 | 78 Ų | 78 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.1 | 168.1 | -58.7 | -80.9 | 0 | 0 | 0 | 108.3 | L14 I18 T203 Y204 V231 L232 P242 | L14-F16 HydrophobicContact CD1-CE1 4.42Å; L14-F16 HydrophobicContact CD2-CE1 3.78Å; L14-F16 HydrophobicContact CD2-CE2 3.77Å; L14-F16 HydrophobicContact CD2-CZ 3.23Å; L14-F16 HydrophobicContact CG-CD2 4.39Å; L14-F16 HydrophobicContact CG-CE1 4.05Å; L14-F16 HydrophobicContact CG-CE2 3.88Å; L14-F16 HydrophobicContact CG-CZ 3.72Å; F16-I18 HydrophobicContact CB-CG1 4.43Å; F16-T203 HydrophobicContact CD1-CG2 4.05Å; F16-Y204 CarbonylContact C-O 3.54Å; F16-Y204 VanDerWaalsContact CA-O 3.31Å; F16-Y204 WeakPolarHBondContact CA-O 3.31Å; F16-V231 CarbonylContact O-C 3.52Å; F16-V231 WeakPolarHBondContact O-CA 3.4Å; F16-L232 HydrophobicContact CB-CB 4.4Å; F16-L232 PolarHBondContact N-O 3.42Å; F16-L232 PolarHBondContact O-N 2.76Å; F16-P242 HydrophobicContact CE2-CG 4.36Å |
| 17 | L | 88.8 | Confident | 69.2 | Low | 14 Ų | 14 | 77.4 Ų | 77.4 | 7% | 0.073 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.6 | 166.3 | -65.7 | 82.3 | 0 | 0 | 0 | 107 | T203 Y204 I206 I216 L229 L230 V231 | L17-T203 CarbonylContact O-C 3.56Å; L17-T203 WeakPolarHBondContact O-CA 3.02Å; L17-Y204 PolarHBondContact N-O 3.48Å; L17-Y204 PolarHBondContact O-N 2.77Å; L17-I206 HydrophobicContact CD1-CD1 3.54Å; L17-I206 HydrophobicContact CD1-CG1 4.01Å; L17-I216 HydrophobicContact CD1-CD1 3.9Å; L17-I216 HydrophobicContact CD2-CD1 4.34Å; L17-I216 HydrophobicContact CG-CD1 4.37Å; L17-L229 HydrophobicContact CB-CD1 4.42Å; L17-L230 CarbonylContact C-O 3.57Å; L17-L230 WeakPolarHBondContact CA-O 3.48Å; L17-V231 HydrophobicContact CD2-CG2 4.45Å; L17-V231 HydrophobicContact CG-CG2 4.23Å |
| 18 | I | 86.9 | Confident | 67.9 | Low | 44 Ų | 44 | 76 Ų | 76 | 23% | 0.226 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 111.4 | -179 | -49.3 | -179.9 | 0 | 0 | 0 | 107.8 | F16 L20 C202 T203 L229 L230 L232 | F16-I18 HydrophobicContact CB-CG1 4.43Å; I18-L20 HydrophobicContact CB-CD1 4.36Å; I18-L20 HydrophobicContact CG2-CD1 3.55Å; I18-L20 HydrophobicContact CG2-CG 4.03Å; I18-C202 CarbonylContact C-O 3.6Å; I18-C202 WeakPolarHBondContact CA-O 3.38Å; I18-T203 HydrophobicContact CG1-CG2 4.11Å; I18-L229 CarbonylContact O-C 3.56Å; I18-L229 WeakPolarHBondContact O-CA 3.43Å; I18-L230 PolarHBondContact N-O 2.86Å; I18-L230 PolarHBondContact O-N 3.28Å; I18-L232 HydrophobicContact CD1-CD1 3.66Å; I18-L232 HydrophobicContact CG1-CD1 3.88Å |
| 19 | L | 87.2 | Confident | 66.8 | Low | 14 Ų | 14 | 73.7 Ų | 73.7 | 7% | 0.073 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.8 | 167.5 | -177.6 | 70 | 0 | 0 | 0 | 107.3 | L200 C202 L223 E228 L229 | L19-L200 VanDerWaalsContact O-O 3.08Å; L19-C202 HydrophobicContact CB-CB 4.33Å; L19-C202 PolarHBondContact N-O 3.48Å; L19-C202 PolarHBondContact O-N 3.31Å; L19-L223 HydrophobicContact CD1-CD2 3.62Å; L19-E228 CarbonylContact C-O 3.57Å; L19-E228 WeakPolarHBondContact CA-O 3.33Å; L19-L229 HydrophobicContact CB-CD1 4.2Å; L19-L229 HydrophobicContact CD1-CB 4.23Å; L19-L229 HydrophobicContact CD1-CD1 4.39Å |
| 20 | L | 81.7 | Confident | 65.5 | Low | 50 Ų | 50 | 76.1 Ų | 76.1 | 26% | 0.262 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.1 | 171.7 | -60.3 | 96.3 | 0 | 0 | 0 | 108.9 | I18 E227 E228 L230 | I18-L20 HydrophobicContact CB-CD1 4.36Å; I18-L20 HydrophobicContact CG2-CD1 3.55Å; I18-L20 HydrophobicContact CG2-CG 4.03Å; L20-E227 CarbonylContact O-C 3.52Å; L20-E227 VanDerWaalsContact O-CA 3.3Å; L20-E227 WeakPolarHBondContact O-CA 3.37Å; L20-E228 PolarHBondContact N-O 2.84Å; L20-E228 PolarHBondContact O-N 2.56Å; L20-L230 HydrophobicContact CD1-CD1 3.35Å |
| 21 | S | 74.1 | Confident | 64.1 | Low | 19 Ų | 19 | 81.4 Ų | 81.4 | 13% | 0.133 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 111 | 162.4 | 66.7 | 0 | 0 | 0 | 0 | 108.4 | P23 L200 | S21-P23 WeakPolarHBondContact O-CD 3.33Å; S21-L200 PolarHBondContact OG-N 3.24Å |
| 22 | C | 59.1 | Low | 63 | Low | 88 Ų | 88 | 87.6 Ų | 87.6 | 60% | 0.595 | 47% | 0.465 | S | S | * | . | trans | -87.5 | 100.8 | 170.3 | -79.2 | 0 | 0 | 0 | 0 | 109.1 | W24 E226 | C22-W24 PolarHBondContact O-N 3.32Å; C22-E226 PolarHBondContact N-O 3.17Å; C22-E226 WeakPolarHBondContact O-CB 2.9Å | ||
| 23 | P | 56 | Low | 61.8 | Low | 60 Ų | 60 | 90.7 Ų | 90.7 | 39% | 0.39 | 47% | 0.472 | S | S | . | . | trans | -60.2 | 108.8 | 166.2 | 28 | -35.1 | 0 | 0 | 0 | 107.7 | S21 I25 L199 | S21-P23 WeakPolarHBondContact O-CD 3.33Å; P23-I25 PolarHBondContact O-N 3.33Å; P23-L199 HydrophobicContact CG-CD1 4.29Å; P23-L199 HydrophobicContact CG-CD2 4.21Å; P23-L199 HydrophobicContact CG-CG 3.84Å | ||
| 24 | W | 44 | Very low | 60 | Low | 166 Ų | 166 | 98.4 Ų | 98.4 | 63% | 0.629 | 51% | 0.508 | S | S | * | . | trans | -41.2 | 127.6 | 167.3 | 58.6 | -22.8 | 0 | 0 | 0 | 111.1 | C22 Q26 | C22-W24 PolarHBondContact O-N 3.32Å; W24-Q26 HydrophobicContact CD2-CG 3.57Å; W24-Q26 HydrophobicContact CE3-CG 3.54Å; W24-Q26 HydrophobicContact CG-CG 4.19Å; W24-Q26 HydrophobicContact CH2-CG 4.06Å; W24-Q26 VanDerWaalsContact CZ2-CD 3.49Å; W24-Q26 HydrophobicContact CZ2-CG 4.05Å; W24-Q26 HydrophobicContact CZ3-CG 3.81Å; W24-Q26 PolarHBondContact O-N 2.98Å | ||
| 25 | I | 50.9 | Low | 57.5 | Low | 167 Ų | 167 | 103 Ų | 103 | 86% | 0.856 | 53% | 0.531 | S | S | * | . | trans | -74.1 | 74 | 169.6 | -56.5 | 163.9 | 0 | 0 | 0 | 106.7 | P23 G27 | P23-I25 PolarHBondContact O-N 3.33Å; I25-G27 PolarHBondContact O-N 3.31Å; I25-G27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | Q | 45.4 | Very low | 55.2 | Low | 130 Ų | 130 | 109.7 Ų | 109.7 | 61% | 0.607 | 57% | 0.566 | S | S | * | * | trans | -63.1 | 111.4 | 156.1 | -79.9 | -159 | -35.6 | 0 | 0 | 106.3 | W24 L28 | W24-Q26 HydrophobicContact CD2-CG 3.57Å; W24-Q26 HydrophobicContact CE3-CG 3.54Å; W24-Q26 HydrophobicContact CG-CG 4.19Å; W24-Q26 HydrophobicContact CH2-CG 4.06Å; W24-Q26 VanDerWaalsContact CZ2-CD 3.49Å; W24-Q26 HydrophobicContact CZ2-CG 4.05Å; W24-Q26 HydrophobicContact CZ3-CG 3.81Å; W24-Q26 PolarHBondContact O-N 2.98Å; Q26-L28 PolarHBondContact O-N 3.38Å; Q26-L28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | G | 47.6 | Very low | 52.8 | Low | 60 Ų | 60 | 112.6 Ų | 112.6 | 62% | 0.619 | 59% | 0.59 | S | S | * | * | trans | -51.6 | 119.6 | -168 | 0 | 0 | 0 | 0 | 0 | 111.4 | I25 P29 | I25-G27 PolarHBondContact O-N 3.31Å; I25-G27 VanDerWaalsContact O-N 3.11Å; G27-P29 WeakPolarHBondContact O-CD 3.33Å; G27-P29 VanDerWaalsContact O-N 3.16Å | ||
| 28 | L | 35.4 | Very low | 50.3 | Low | 156 Ų | 156 | 120.4 Ų | 120.4 | 82% | 0.817 | 63% | 0.626 | S | S | * | * | trans | -56.3 | 113.3 | 153.3 | -78.5 | 158.2 | 0 | 0 | 0 | 106.2 | Q26 L30 | Q26-L28 PolarHBondContact O-N 3.38Å; Q26-L28 VanDerWaalsContact O-N 3.08Å; L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.19Å | ||
| 29 | P | 40 | Very low | 48.1 | Very low | 113 Ų | 113 | 124.1 Ų | 124.1 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | trans | -63.4 | 109.4 | 153.3 | 29.5 | -28.9 | 0 | 0 | 0 | 104.3 | G27 K31 | G27-P29 WeakPolarHBondContact O-CD 3.33Å; G27-P29 VanDerWaalsContact O-N 3.16Å; P29-K31 PolarHBondContact O-N 3.19Å | ||
| 30 | L | 34.6 | Very low | 45.5 | Very low | 163 Ų | 163 | 127 Ų | 127 | 85% | 0.853 | 69% | 0.687 | S | S | * | * | trans | -58.4 | 102 | 162.3 | -80.9 | 175.5 | 0 | 0 | 0 | 105.1 | L28 E32 | L28-L30 VanDerWaalsContact C-N 3.32Å; L28-L30 PolarHBondContact O-N 3.19Å; L30-E32 PolarHBondContact O-N 3.23Å | ||
| 31 | K | 36.4 | Very low | 43.2 | Very low | 187 Ų | 187 | 129.5 Ų | 129.5 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | -65.6 | 108.3 | 177.6 | -177.6 | 163.3 | 179.1 | 173.4 | 0 | 105.2 | P29 E33 | P29-K31 PolarHBondContact O-N 3.19Å; K31-E33 VanDerWaalsContact C-N 3.33Å; K31-E33 PolarHBondContact O-N 3.16Å | ||
| 32 | E | 42.6 | Very low | 41.4 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -59.4 | 100.4 | 178.7 | -160 | 141.1 | 112.1 | 0 | 0 | 107.2 | L30 E34 | L30-E32 PolarHBondContact O-N 3.23Å; E32-E34 PolarHBondContact O-N 2.88Å; E32-E34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | E | 41.4 | Very low | 40.4 | Very low | 161 Ų | 161 | 139 Ų | 139 | 75% | 0.752 | 75% | 0.751 | S | S | * | * | trans | -77.7 | 100.5 | 179.5 | -167.4 | 146.3 | 93.2 | 0 | 0 | 106.5 | K31 I35 | K31-E33 VanDerWaalsContact C-N 3.33Å; K31-E33 PolarHBondContact O-N 3.16Å; E33-I35 VanDerWaalsContact C-N 3.29Å; E33-I35 HydrophobicContact CG-CG1 4.4Å; E33-I35 PolarHBondContact O-N 3.26Å | ||
| 34 | E | 42.9 | Very low | 39.8 | Very low | 183 Ų | 183 | 141.5 Ų | 141.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -63.6 | 85.5 | -179.5 | -172.2 | -173.9 | 121.6 | 0 | 0 | 110 | E32 L36 | E32-E34 PolarHBondContact O-N 2.88Å; E32-E34 VanDerWaalsContact O-N 3.1Å; E34-L36 PolarHBondContact O-N 3.36Å | ||
| 35 | I | 35.7 | Very low | 39.5 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -86.5 | 99.5 | 175.4 | -59.2 | 163.5 | 0 | 0 | 0 | 108.3 | E33 P37 | E33-I35 VanDerWaalsContact C-N 3.29Å; E33-I35 HydrophobicContact CG-CG1 4.4Å; E33-I35 PolarHBondContact O-N 3.26Å; I35-P37 WeakPolarHBondContact O-CD 3.26Å | ||
| 36 | L | 40.6 | Very low | 38.8 | Very low | 143 Ų | 143 | 138 Ų | 138 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53 | 122.2 | 172.8 | -173.5 | 75.7 | 0 | 0 | 0 | 111.8 | E34 | E34-L36 PolarHBondContact O-N 3.36Š|
| 37 | P | 37.7 | Very low | 38.6 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 117.3 | 176 | 32.2 | -30.8 | 0 | 0 | 0 | 112.3 | I35 | I35-P37 WeakPolarHBondContact O-CD 3.26Š|
| 38 | E | 36.4 | Very low | 38.4 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 142.2 | 161.9 | -83.2 | -90.6 | 87.5 | 0 | 0 | 110.5 | ||
| 39 | P | 39.9 | Very low | 39 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91 | 125.1 | -174.3 | 33.8 | -32.9 | 0 | 0 | 0 | 113.2 | ||
| 40 | G | 34.1 | Very low | 39.5 | Very low | 76 Ų | 76 | 139 Ų | 139 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -170.1 | 121.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 41 | S | 31.8 | Very low | 40.2 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 59.7 | 107 | 162.6 | -83.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 42 | E | 36.5 | Very low | 40.7 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | 68.6 | 98.2 | 118.2 | -64.1 | 161.7 | 139.6 | 0 | 0 | 119.9 | |||||
| 43 | T | 38 | Very low | 41 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -63.8 | 149.1 | 156.2 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 44 | P | 43.3 | Very low | 41.3 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | -137.9 | 136.3 | 92.9 | 35 | -22.2 | 0 | 0 | 0 | 115.7 | |||||
| 45 | T | 38.8 | Very low | 41.6 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | 37.2 | 114.8 | 133 | -30.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 46 | V | 35.8 | Very low | 42.1 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | 166.9 | 134.5 | 114 | 158.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 47 | A | 41.7 | Very low | 42.3 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | 58.7 | 91.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 48 | S | 44 | Very low | 42.5 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -110.5 | 1.4 | 154.3 | 56 | 0 | 0 | 0 | 0 | 113.8 | A50 | S48-A50 PolarHBondContact O-N 2.63Š| ||
| 49 | E | 47.4 | Very low | 42.9 | Very low | 196 Ų | 196 | 125.2 Ų | 125.2 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 34.6 | -175.1 | -150 | 172.4 | 172.3 | 0 | 0 | 113.3 | ||
| 50 | A | 50.8 | Low | 43 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 60% | 0.603 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.3 | -1.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S48 | S48-A50 PolarHBondContact O-N 2.63Š|
| 51 | L | 48.1 | Very low | 43.2 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -111.3 | -10.7 | -179.8 | -77.8 | 172.3 | 0 | 0 | 0 | 115.1 | ||
| 52 | A | 48.4 | Very low | 43.5 | Very low | 88 Ų | 88 | 143 Ų | 143 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -22.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 53 | E | 48.1 | Very low | 43.5 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -3.5 | -176.6 | -89.6 | -81.6 | 105.3 | 0 | 0 | 114.2 | ||
| 54 | L | 47.6 | Very low | 44.2 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -89.4 | -1.9 | -172 | -135 | 91.8 | 0 | 0 | 0 | 115.8 | ||
| 55 | L | 49.3 | Very low | 44.1 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -110.9 | -1 | -175 | -91.3 | 163.4 | 0 | 0 | 0 | 115.8 | ||
| 56 | H | 45.1 | Very low | 44 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -107.3 | -3.4 | 175.3 | -64 | 104 | 0 | 0 | 0 | 113.9 | A58 | H56-A58 PolarHBondContact O-N 2.82Š|
| 57 | G | 45.3 | Very low | 44.1 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -3.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | L59 | G57-L59 VanDerWaalsContact C-N 3.33Å; G57-L59 PolarHBondContact O-N 2.87Å |
| 58 | A | 42 | Very low | 43.7 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 3.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115 | H56 L60 | H56-A58 PolarHBondContact O-N 2.82Å; A58-L60 PolarHBondContact O-N 2.8Å |
| 59 | L | 44.4 | Very low | 43.4 | Very low | 155 Ų | 155 | 147 Ų | 147 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -84.4 | 93.3 | 173.1 | -76.2 | 177.7 | 0 | 0 | 0 | 111.9 | G57 R61 | G57-L59 VanDerWaalsContact C-N 3.33Å; G57-L59 PolarHBondContact O-N 2.87Å; L59-R61 PolarHBondContact O-N 2.85Å |
| 60 | L | 43.3 | Very low | 43.4 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -4 | 88.6 | 158 | -67.8 | 165.5 | 0 | 0 | 0 | 116.3 | A58 R62 | A58-L60 PolarHBondContact O-N 2.8Å; L60-R62 PolarHBondContact O-N 2.86Å | ||
| 61 | R | 36.8 | Very low | 42.5 | Very low | 252 Ų | 252 | 143.8 Ų | 143.8 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | trans | -84.8 | 104.8 | 160.6 | -90.5 | -159.2 | 167.9 | -148.2 | -2 | 111.3 | L59 | L59-R61 PolarHBondContact O-N 2.85Š| ||
| 62 | R | 39.2 | Very low | 42.1 | Very low | 244 Ų | 244 | 142.6 Ų | 142.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 134.1 | 166.3 | -165.3 | -179.4 | -169.8 | -169.6 | 3.5 | 110 | L60 | L60-R62 PolarHBondContact O-N 2.86Š|
| 63 | G | 37.2 | Very low | 41.7 | Very low | 65 Ų | 65 | 146 Ų | 146 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 64 | P | 50.8 | Low | 41.8 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 163.7 | -175.8 | 38.3 | -35.3 | 0 | 0 | 0 | 115.4 | ||
| 65 | E | 42.7 | Very low | 41.2 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | 66.2 | 148.2 | 168.2 | -68.3 | -167.3 | 99.4 | 0 | 0 | 118 | ||||
| 66 | M | 36.3 | Very low | 41.1 | Very low | 159 Ų | 159 | 142 Ų | 142 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | cis | -151.6 | 143.2 | 13.7 | -158.3 | 177.8 | -79.2 | 0 | 0 | 112.9 | ||||
| 67 | G | 36.8 | Very low | 40.7 | Very low | 74 Ų | 74 | 141 Ų | 141 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | 71.6 | 110 | 146.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 68 | Y | 33.3 | Very low | 40.5 | Very low | 237 Ų | 237 | 145.1 Ų | 145.1 | 93% | 0.929 | 82% | 0.816 | S | S | * | * | -176.7 | 159 | 95 | -155.3 | -104.1 | 0 | 0 | 0 | 110.9 | |||||
| 69 | L | 39.6 | Very low | 40 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -97.1 | -166.5 | -176.2 | -59.2 | 172.1 | 0 | 0 | 0 | 111.7 | ||||
| 70 | P | 46.6 | Very low | 39.7 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | -112.7 | 168 | -90 | 36.7 | -22.5 | 0 | 0 | 0 | 112.4 | |||||
| 71 | G | 31 | Very low | 39.7 | Very low | 76 Ų | 76 | 140.4 Ų | 140.4 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -165.4 | 67 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 72 | S | 40.4 | Very low | 39.9 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -150 | 121.8 | 164.7 | -73.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 73 | D | 40.1 | Very low | 39.9 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -149.9 | 135 | 140.3 | -125.2 | -36.9 | 0 | 0 | 0 | 108.2 | ||||
| 74 | P | 50.3 | Low | 39.8 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -95.9 | 136.8 | 175.3 | 34.5 | -27.2 | 0 | 0 | 0 | 111.1 | ||||
| 75 | D | 35.1 | Very low | 39.2 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | trans | -118.9 | 119.7 | 169.1 | -160 | -47.1 | 0 | 0 | 0 | 110.7 | ||||
| 76 | P | 47 | Very low | 38.8 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -87.8 | 114.8 | 179 | 33.5 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 77 | T | 36.4 | Very low | 38.8 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -126.8 | 131.6 | 167.6 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 78 | L | 41.6 | Very low | 38.7 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -83.4 | 123.4 | -173.1 | -179.5 | 168.3 | 0 | 0 | 0 | 111.3 | ||||
| 79 | A | 31.7 | Very low | 39 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -156.8 | 104.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 80 | T | 37.7 | Very low | 38.9 | Very low | 119 Ų | 119 | 125 Ų | 125 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | 16.6 | 132 | 142.4 | -44.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 81 | P | 43.4 | Very low | 38.3 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 135.3 | 166.9 | 33.9 | -32.4 | 0 | 0 | 0 | 112.4 | ||
| 82 | P | 40.6 | Very low | 38.6 | Very low | 129 Ų | 129 | 128 Ų | 128 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 128.8 | 165.2 | 32.3 | -29.5 | 0 | 0 | 0 | 111 | ||
| 83 | A | 39.3 | Very low | 38.4 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 143.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 84 | G | 34.9 | Very low | 38.2 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 91.7 | 104.6 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 85 | Q | 38.1 | Very low | 37.3 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | -150.8 | 106.1 | 129.8 | -56.9 | -168.1 | 46.5 | 0 | 0 | 105.2 | |||||
| 86 | T | 33.7 | Very low | 37.3 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | 72 | 111.3 | 65.7 | -60.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 87 | L | 37.3 | Very low | 36.9 | Very low | 169 Ų | 169 | 130 Ų | 130 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | 68.2 | 101 | 164.2 | -63.8 | 168.3 | 0 | 0 | 0 | 120.1 | ||||
| 88 | A | 34.1 | Very low | 37.1 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | -168.1 | 126 | 118.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 89 | V | 39.3 | Very low | 36.7 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -106.6 | 122.2 | 173.4 | 175.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 90 | P | 37.7 | Very low | 36.9 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | trans | -87.6 | 118.4 | 162 | -6.4 | 25.5 | 0 | 0 | 0 | 110.1 | ||||
| 91 | S | 34 | Very low | 36.7 | Very low | 109 Ų | 109 | 125 Ų | 125 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -43.8 | 135.5 | -179.6 | 45.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 92 | L | 37 | Very low | 36.7 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -62.5 | 132.5 | 163 | -170 | 86 | 0 | 0 | 0 | 112.3 | R94 | L92-R94 PolarHBondContact O-N 3.11Š| ||
| 93 | P | 37.5 | Very low | 36.5 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -82.1 | 96.1 | 162.5 | 31.5 | -29.2 | 0 | 0 | 0 | 110.4 | ||||
| 94 | R | 34.9 | Very low | 36.5 | Very low | 209 Ų | 209 | 128.2 Ų | 128.2 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | trans | 18.1 | 110 | 147.8 | -172 | 175.8 | -177 | 112.3 | -1.9 | 117.7 | L92 | L92-R94 PolarHBondContact O-N 3.11Š| ||
| 95 | A | 31.6 | Very low | 36.6 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -63.6 | 138.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 96 | T | 35.1 | Very low | 36.4 | Very low | 109 Ų | 109 | 126 Ų | 126 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -152.8 | 86.4 | 163.3 | -61.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 97 | E | 39.1 | Very low | 36.5 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -92.1 | 155.8 | 152.9 | -81.4 | -71.1 | 120.1 | 0 | 0 | 107.2 | ||||
| 98 | P | 41.2 | Very low | 36.5 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | cis | -132.7 | 155.3 | 29.6 | 38.4 | -21.6 | 0 | 0 | 0 | 116.2 | ||||
| 99 | G | 32.3 | Very low | 36.7 | Very low | 62 Ų | 62 | 125.5 Ų | 125.5 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -152.9 | 92.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G101 | G99-G101 PolarHBondContact O-N 2.79Š| ||
| 100 | T | 35.6 | Very low | 36.5 | Very low | 159 Ų | 159 | 126.8 Ų | 126.8 | 98% | 0.975 | 78% | 0.778 | S | S | * | * | trans | -65.9 | 123.6 | 176.1 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 101 | G | 34.5 | Very low | 36.3 | Very low | 50 Ų | 50 | 124.1 Ų | 124.1 | 52% | 0.515 | 77% | 0.773 | S | S | . | * | trans | 156.7 | 131.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114 | G99 L103 | G99-G101 PolarHBondContact O-N 2.79Å; G101-L103 PolarHBondContact O-N 3.08Å | ||
| 102 | P | 43.6 | Very low | 36.2 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -80.6 | 119.2 | 177.3 | 31.7 | -31.8 | 0 | 0 | 0 | 110.8 | ||||
| 103 | L | 35 | Very low | 36 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -96.1 | 100.9 | 168.7 | -81.6 | 85.8 | 0 | 0 | 0 | 110.5 | G101 T105 | G101-L103 PolarHBondContact O-N 3.08Å; L103-T105 PolarHBondContact O-N 3.01Å | ||
| 104 | T | 41 | Very low | 35.8 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -69.8 | 115.8 | 161.9 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | A106 | T104-A106 PolarHBondContact O-N 2.79Š| ||
| 105 | T | 37 | Very low | 35.7 | Very low | 129 Ų | 129 | 122 Ų | 122 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | -90.6 | 83.7 | 175.8 | -52.2 | 0 | 0 | 0 | 0 | 110.6 | L103 V107 | L103-T105 PolarHBondContact O-N 3.01Å; T105-V107 HydrophobicContact CG2-CG2 4.5Å | ||
| 106 | A | 33.4 | Very low | 35.8 | Very low | 86 Ų | 86 | 120.9 Ų | 120.9 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -85 | 124.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T104 | T104-A106 PolarHBondContact O-N 2.79Š| ||
| 107 | V | 35.8 | Very low | 36.3 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -92.1 | 111.3 | 179.4 | 179.1 | 0 | 0 | 0 | 0 | 110 | T105 | T105-V107 HydrophobicContact CG2-CG2 4.5Š| ||
| 108 | T | 37.8 | Very low | 36 | Very low | 119 Ų | 119 | 121 Ų | 121 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 137.4 | 169.5 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 109 | P | 37.9 | Very low | 36 | Very low | 124 Ų | 124 | 119 Ų | 119 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 128.9 | 160.3 | 11.9 | 4 | 0 | 0 | 0 | 111.4 | ||
| 110 | N | 34.2 | Very low | 36.4 | Very low | 169 Ų | 169 | 122.3 Ų | 122.3 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 147.8 | 155.7 | -81.2 | -45.3 | 0 | 0 | 0 | 109.1 | ||
| 111 | G | 33.2 | Very low | 36.5 | Very low | 66 Ų | 66 | 123.5 Ų | 123.5 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | 131.5 | 108.9 | 3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 112 | V | 32.5 | Very low | 36.8 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | 154.5 | 131.8 | 172.7 | 142.7 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 113 | R | 33.9 | Very low | 36.5 | Very low | 241 Ų | 241 | 130.5 Ų | 130.5 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | cis | -144.1 | 173.7 | -6 | -105.1 | 169.7 | -175.6 | -176 | 1.7 | 105.7 | ||||
| 114 | G | 31.8 | Very low | 36.9 | Very low | 64 Ų | 64 | 129.1 Ų | 129.1 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | cis | 161 | 158.7 | 4.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 115 | A | 34.3 | Very low | 37.3 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 93% | 0.934 | 80% | 0.8 | S | S | * | * | trans | 73.8 | 134.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 116 | G | 33.2 | Very low | 38.2 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -129.4 | -151.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 117 | P | 45.7 | Very low | 38.8 | Very low | 129 Ų | 129 | 130 Ų | 130 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -118.7 | 135.4 | -39.2 | 35 | -22.6 | 0 | 0 | 0 | 110.8 | ||||
| 118 | T | 33.3 | Very low | 38.7 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -138 | 145.2 | 172.8 | -45.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 119 | A | 40.6 | Very low | 38.9 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | trans | -65.3 | 159.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E121 | A119-E121 PolarHBondContact O-N 3.28Š| ||
| 120 | P | 40.6 | Very low | 39 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | trans | -71.3 | 107.5 | 176.5 | 28.7 | -34.4 | 0 | 0 | 0 | 111.6 | L122 | P120-L122 PolarHBondContact O-N 3.45Š| ||
| 121 | E | 37.7 | Very low | 39.5 | Very low | 184 Ų | 184 | 124.7 Ų | 124.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -86.6 | 98.4 | 171.6 | -164.6 | 161.4 | 106.8 | 0 | 0 | 109.6 | A119 | A119-E121 PolarHBondContact O-N 3.28Š| ||
| 122 | L | 39.8 | Very low | 40.4 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -75.8 | 132.1 | 170.9 | -148.2 | 83.8 | 0 | 0 | 0 | 108.7 | P120 T124 | P120-L122 PolarHBondContact O-N 3.45Å; L122-T124 PolarHBondContact O-N 2.75Å | ||
| 123 | L | 38.8 | Very low | 41.2 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -66.3 | 106.7 | -177.3 | -71.4 | 168.7 | 0 | 0 | 0 | 112 | ||||
| 124 | T | 42.4 | Very low | 42 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 132.3 | 174.1 | -19.2 | 0 | 0 | 0 | 0 | 111.6 | L122 | L122-T124 PolarHBondContact O-N 2.75Š|
| 125 | P | 48.7 | Very low | 43.6 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 153.9 | 156.9 | 31.6 | -32.1 | 0 | 0 | 0 | 110.8 | ||
| 126 | P | 56.3 | Low | 43.8 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 150.5 | -170.5 | 30.5 | -36 | 0 | 0 | 0 | 113.9 | ||
| 127 | P | 45.6 | Very low | 44.8 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 143.9 | -179.8 | 34.6 | -34.1 | 0 | 0 | 0 | 113.5 | ||
| 128 | G | 35.6 | Very low | 44.3 | Very low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -148.7 | 100.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 129 | T | 40.8 | Very low | 44.8 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -55.9 | 139.2 | -178.8 | -56.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 130 | T | 40.3 | Very low | 45.3 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | -179.6 | 149.6 | 117.4 | -67.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 131 | A | 43.8 | Very low | 44.8 | Very low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 167.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 132 | P | 53.2 | Low | 46.1 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 156 | -174.6 | 36.2 | -35.6 | 0 | 0 | 0 | 114.4 | ||
| 133 | P | 49.3 | Very low | 46.8 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 161.2 | 166 | 35.3 | -29.8 | 0 | 0 | 0 | 113.8 | ||
| 134 | P | 50.3 | Low | 46.8 | Very low | 122 Ų | 122 | 117.2 Ų | 117.2 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -94.1 | 176.6 | -167.9 | 39 | -38.1 | 0 | 0 | 0 | 115 | ||||
| 135 | P | 64.8 | Low | 46.4 | Very low | 114 Ų | 114 | 114.3 Ų | 114.3 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | trans | -97.9 | 174.6 | -173.2 | 38 | -36 | 0 | 0 | 0 | 115.9 | ||||
| 136 | S | 39.2 | Very low | 46.7 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 91.9 | 162.2 | 163.1 | -49.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 137 | P | 54.8 | Low | 45.8 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -140.2 | 176.2 | -37.3 | 35.9 | -17.7 | 0 | 0 | 0 | 116 | ||||
| 138 | A | 35.7 | Very low | 45.6 | Very low | 103 Ų | 103 | 116.6 Ų | 116.6 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | 76.4 | 141.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 139 | S | 42.8 | Very low | 45.8 | Very low | 112 Ų | 112 | 116.7 Ų | 116.7 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -80.2 | 178.1 | 169.2 | -144.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 140 | P | 50.2 | Low | 46 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -148.4 | 174 | 16.4 | 42.9 | -21.8 | 0 | 0 | 0 | 119.7 | ||||
| 141 | G | 31.2 | Very low | 46.3 | Very low | 72 Ų | 72 | 121.6 Ų | 121.6 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 121.3 | 140 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 142 | P | 64.3 | Low | 46.5 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -93.9 | -174.2 | 171 | 42.4 | -37.7 | 0 | 0 | 0 | 111.9 | ||||
| 143 | P | 55.3 | Low | 46.3 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | cis | -150.4 | -168.8 | 23.6 | 37.8 | -11.6 | 0 | 0 | 0 | 119 | ||||
| 144 | L | 38.6 | Very low | 46.4 | Very low | 176 Ų | 176 | 124 Ų | 124 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 70.8 | 144.1 | 166.1 | -46.5 | 174.6 | 0 | 0 | 0 | 116.7 | ||||
| 145 | G | 35 | Very low | 46.6 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | cis | -165.2 | -174.2 | 4.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 146 | P | 54.9 | Low | 46.3 | Very low | 131 Ų | 131 | 122.5 Ų | 122.5 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -116.2 | 154.4 | -140.3 | 40.3 | -33.6 | 0 | 0 | 0 | 117.6 | ||||
| 147 | E | 37 | Very low | 47.4 | Very low | 201 Ų | 201 | 123.7 Ų | 123.7 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -161 | 131.1 | 150.9 | -153.5 | 148.6 | 75 | 0 | 0 | 105.1 | ||||
| 148 | G | 40.2 | Very low | 47.9 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | cis | 142.5 | 87.3 | 24.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 149 | G | 39.8 | Very low | 49.3 | Very low | 80 Ų | 80 | 124.5 Ų | 124.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -179.9 | 97.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 150 | E | 45.6 | Very low | 50.5 | Low | 190 Ų | 190 | 124.4 Ų | 124.4 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | trans | -81.3 | 113.3 | 170.1 | 60.9 | -149.3 | 96.4 | 0 | 0 | 110.5 | ||||
| 151 | E | 46.9 | Very low | 51.5 | Low | 184 Ų | 184 | 123.9 Ų | 123.9 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | S | Bend | -176.6 | 138.9 | 123.1 | -100.5 | -172.1 | 114.6 | 0 | 0 | 110.6 | T153 | E151-T153 PolarHBondContact O-N 2.81Š| |
| 152 | E | 46.8 | Very low | 53.2 | Low | 167 Ų | 167 | 125.9 Ų | 125.9 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | -33.1 | 92.7 | -176.8 | -164.8 | -176.3 | 119.6 | 0 | 0 | 116.4 | T154 | E152-T154 WeakPolarHBondContact CG-OG1 3.31Å; E152-T154 PolarHBondContact O-N 2.67Å; E152-T154 PolarHBondContact OE1-OG1 2.74Å | ||
| 153 | T | 48.9 | Very low | 53.2 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -75.6 | 77.3 | 159.8 | -53.6 | 0 | 0 | 0 | 0 | 108.7 | E151 T155 | E151-T153 PolarHBondContact O-N 2.81Å; T153-T155 PolarHBondContact O-N 2.84Å; T153-T155 PolarHBondContact O-OG1 3.39Å | ||
| 154 | T | 52.5 | Low | 53.2 | Low | 89 Ų | 89 | 125.8 Ų | 125.8 | 55% | 0.546 | 75% | 0.747 | S | S | . | * | trans | -60.3 | 90.5 | 165.7 | -80.7 | 0 | 0 | 0 | 0 | 107.5 | E152 T156 | E152-T154 WeakPolarHBondContact CG-OG1 3.31Å; E152-T154 PolarHBondContact O-N 2.67Å; E152-T154 PolarHBondContact OE1-OG1 2.74Å; T154-T156 PolarHBondContact O-N 3.13Å | ||
| 155 | T | 54.7 | Low | 54.1 | Low | 105 Ų | 105 | 122.3 Ų | 122.3 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | trans | -75.4 | 80.1 | 179.7 | -57.2 | 0 | 0 | 0 | 0 | 106.6 | T153 I157 | T153-T155 PolarHBondContact O-N 2.84Å; T153-T155 PolarHBondContact O-OG1 3.39Å; T155-I157 HydrophobicContact CG2-CG1 4.26Å; T155-I157 PolarHBondContact O-N 2.91Å | ||
| 156 | T | 57.4 | Low | 55.2 | Low | 101 Ų | 101 | 124.1 Ų | 124.1 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | trans | -61.6 | 95.5 | 168.4 | -55.1 | 0 | 0 | 0 | 0 | 106.6 | T154 I158 | T154-T156 PolarHBondContact O-N 3.13Å; T156-I158 HydrophobicContact CG2-CG1 3.86Å; T156-I158 PolarHBondContact O-N 3.19Å | ||
| 157 | I | 63.7 | Low | 55.1 | Low | 137 Ų | 137 | 124 Ų | 124 | 70% | 0.703 | 73% | 0.727 | S | S | * | * | trans | -66.7 | 90.3 | 168.1 | -60.3 | 171.1 | 0 | 0 | 0 | 104.9 | T155 T159 | T155-I157 HydrophobicContact CG2-CG1 4.26Å; T155-I157 PolarHBondContact O-N 2.91Å; I157-T159 PolarHBondContact O-N 2.78Å | ||
| 158 | I | 65.3 | Low | 55.7 | Low | 134 Ų | 134 | 119.8 Ų | 119.8 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | -69.5 | 85.8 | 169.5 | -57.9 | 174.1 | 0 | 0 | 0 | 104.8 | T156 T160 | T156-I158 HydrophobicContact CG2-CG1 3.86Å; T156-I158 PolarHBondContact O-N 3.19Å; I158-T160 PolarHBondContact O-N 2.76Å; I158-T160 PolarHBondContact O-OG1 3.3Å | ||
| 159 | T | 65.1 | Low | 55.8 | Low | 104 Ų | 104 | 119.8 Ų | 119.8 | 64% | 0.638 | 70% | 0.702 | S | S | * | * | trans | -64.6 | 87.6 | 170.7 | -56.8 | 0 | 0 | 0 | 0 | 106.7 | I157 T161 | I157-T159 PolarHBondContact O-N 2.78Å; T159-T161 HydrophobicContact CG2-CG2 4.5Å; T159-T161 PolarHBondContact O-N 3.26Å | ||
| 160 | T | 67.6 | Low | 56.4 | Low | 110 Ų | 110 | 118.5 Ų | 118.5 | 68% | 0.675 | 68% | 0.68 | S | S | * | * | trans | -67.8 | 85.2 | 173 | -54.8 | 0 | 0 | 0 | 0 | 107.2 | I158 T162 | I158-T160 PolarHBondContact O-N 2.76Å; I158-T160 PolarHBondContact O-OG1 3.3Å; T160-T162 PolarHBondContact O-N 3.22Å | ||
| 161 | T | 71.1 | Confident | 56.7 | Low | 114 Ų | 114 | 111.9 Ų | 111.9 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -63.1 | 92.1 | 166.4 | 24.3 | 0 | 0 | 0 | 0 | 107.3 | T159 V163 | T159-T161 HydrophobicContact CG2-CG2 4.5Å; T159-T161 PolarHBondContact O-N 3.26Å; T161-V163 VanDerWaalsContact C-N 3.3Å; T161-V163 PolarHBondContact O-N 2.87Å | ||
| 162 | T | 67.6 | Low | 57.4 | Low | 114 Ų | 114 | 109.1 Ų | 109.1 | 70% | 0.699 | 64% | 0.642 | S | S | * | * | trans | -60.7 | 97.7 | 168.9 | -41.9 | 0 | 0 | 0 | 0 | 107 | T160 T164 | T160-T162 PolarHBondContact O-N 3.22Å; T162-T164 PolarHBondContact O-N 3.47Å | ||
| 163 | V | 63.1 | Low | 58.5 | Low | 116 Ų | 116 | 102.8 Ų | 102.8 | 70% | 0.703 | 62% | 0.616 | S | S | * | * | trans | -71.3 | 89.9 | 172.5 | -174 | 0 | 0 | 0 | 0 | 106.1 | T161 T165 | T161-V163 VanDerWaalsContact C-N 3.3Å; T161-V163 PolarHBondContact O-N 2.87Å; V163-T165 WeakPolarHBondContact CG1-OG1 3.5Å; V163-T165 PolarHBondContact O-N 2.78Å; V163-T165 PolarHBondContact O-OG1 2.8Å | ||
| 164 | T | 55.9 | Low | 59.8 | Low | 115 Ų | 115 | 101.6 Ų | 101.6 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | trans | -71.1 | 74.6 | 172.1 | -47.4 | 0 | 0 | 0 | 0 | 107.9 | T162 T166 | T162-T164 PolarHBondContact O-N 3.47Å; T164-T166 VanDerWaalsContact C-N 3.27Å; T164-T166 PolarHBondContact O-N 2.83Å | ||
| 165 | T | 56.3 | Low | 60.9 | Low | 104 Ų | 104 | 101.8 Ų | 101.8 | 64% | 0.638 | 60% | 0.603 | S | S | * | * | trans | -66.2 | 92.1 | 173.3 | -46.9 | 0 | 0 | 0 | 0 | 107.2 | V163 V167 | V163-T165 WeakPolarHBondContact CG1-OG1 3.5Å; V163-T165 PolarHBondContact O-N 2.78Å; V163-T165 PolarHBondContact O-OG1 2.8Å; T165-V167 PolarHBondContact O-N 2.84Å | ||
| 166 | T | 58.2 | Low | 62.3 | Low | 109 Ų | 109 | 101 Ų | 101 | 67% | 0.669 | 60% | 0.595 | S | S | * | * | trans | -60 | 105.9 | 170.7 | 47 | 0 | 0 | 0 | 0 | 107.4 | T164 T168 | T164-T166 VanDerWaalsContact C-N 3.27Å; T164-T166 PolarHBondContact O-N 2.83Å; T166-T168 PolarHBondContact O-N 2.88Å | ||
| 167 | V | 52.9 | Low | 63.7 | Low | 129 Ų | 129 | 97.4 Ų | 97.4 | 78% | 0.782 | 57% | 0.571 | S | S | * | * | trans | -75.4 | 65.9 | 175.9 | -169.1 | 0 | 0 | 0 | 0 | 108.4 | T165 S169 | T165-V167 PolarHBondContact O-N 2.84Å; V167-S169 PolarHBondContact O-N 3.39Å | ||
| 168 | T | 50.6 | Low | 64.6 | Low | 112 Ų | 112 | 94.1 Ų | 94.1 | 69% | 0.687 | 56% | 0.561 | S | S | * | * | trans | -70.8 | 84.3 | 158.6 | -47 | 0 | 0 | 0 | 0 | 105.3 | T166 P170 | T166-T168 PolarHBondContact O-N 2.88Å; T168-P170 WeakPolarHBondContact O-CD 3.3Å; T168-P170 VanDerWaalsContact O-N 3.13Å | ||
| 169 | S | 41.3 | Very low | 65.2 | Low | 79 Ų | 79 | 94.8 Ų | 94.8 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | trans | -55.6 | 119.2 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | V167 V171 | V167-S169 PolarHBondContact O-N 3.39Å; S169-V171 PolarHBondContact O-N 2.85Å | ||
| 170 | P | 52.2 | Low | 65.6 | Low | 54 Ų | 54 | 94.1 Ų | 94.1 | 35% | 0.351 | 58% | 0.575 | S | S | . | * | trans | -58.8 | 129.5 | 166.9 | 26.9 | -31.9 | 0 | 0 | 0 | 106.4 | T168 L172 | T168-P170 WeakPolarHBondContact O-CD 3.3Å; T168-P170 VanDerWaalsContact O-N 3.13Å; P170-L172 VanDerWaalsContact C-N 3.35Å; P170-L172 PolarHBondContact O-N 3.27Å | ||
| 171 | V | 53.2 | Low | 66.1 | Low | 50 Ų | 50 | 97.5 Ų | 97.5 | 30% | 0.303 | 58% | 0.583 | S | S | . | * | trans | -60.1 | 103.6 | 172.1 | 176.3 | 0 | 0 | 0 | 0 | 106.6 | S169 C173 | S169-V171 PolarHBondContact O-N 2.85Å; V171-C173 PolarHBondContact O-N 2.99Å | ||
| 172 | L | 60.2 | Low | 66.8 | Low | 126 Ų | 126 | 94.3 Ų | 94.3 | 66% | 0.66 | 57% | 0.573 | S | S | * | * | trans | -66.9 | 109.3 | 176.4 | -68.1 | 177 | 0 | 0 | 0 | 106.7 | P170 | P170-L172 VanDerWaalsContact C-N 3.35Å; P170-L172 PolarHBondContact O-N 3.27Å | ||
| 173 | C | 71.9 | Confident | 67.6 | Low | 34 Ų | 34 | 97.7 Ų | 97.7 | 23% | 0.23 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -66.8 | 153.6 | 167.8 | 96.8 | 0 | 0 | 0 | 0 | 109.4 | V171 P187 C202 | V171-C173 PolarHBondContact O-N 2.99Å; C173-P187 HydrophobicContact CB-CB 4Å; C173-P187 HydrophobicContact CB-CG 3.47Å; C173-P187 VanDerWaalsContact CB-CG 3.47Å; C173-C202 HydrophobicContact CB-CB 3.47Å; C173-C202 VanDerWaalsContact CB-CB 3.47Å; C173-C202 WeakPolarHBondContact CB-SG 3.31Å; C173-C202 VanDerWaalsContact SG-CA 3.53Å; C173-C202 WeakPolarHBondContact SG-CB 3.44Å; C173-C202 CovalentContact SG-SG 2.03Å; C173-C202 PolarHBondContact SG-SG 3.49Å |
| 174 | N | 75 | Confident | 68.7 | Low | 97 Ų | 97 | 94.9 Ų | 94.9 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 80.1 | 40.2 | -164.5 | -46.9 | -19 | 0 | 0 | 0 | 115 | C202 T203 | N174-C202 WeakPolarHBondContact OD1-CA 3.29Å; N174-T203 WeakPolarHBondContact CA-O 3.47Å; N174-T203 PolarHBondContact OD1-N 3.1Å |
| 175 | N | 76.2 | Confident | 70.1 | Confident | 94 Ų | 94 | 95.9 Ų | 95.9 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | trans | -80.3 | 155.8 | 170.5 | -114.8 | 33.7 | 0 | 0 | 0 | 112.7 | Y204 S205 | N175-Y204 HydrophobicContact CB-CD1 4.18Å; N175-Y204 HydrophobicContact CB-CE1 4.49Å; N175-Y204 WeakPolarHBondContact O-CA 3.25Å; N175-S205 PolarHBondContact O-N 2.83Å | ||
| 176 | N | 84.4 | Confident | 71.1 | Confident | 87 Ų | 87 | 95.2 Ų | 95.2 | 47% | 0.465 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118 | 132.8 | 175.2 | -171.5 | 6 | 0 | 0 | 0 | 109.9 | S205 H207 | N176-S205 CarbonylContact C-O 3.57Å; N176-S205 WeakPolarHBondContact CA-O 3.38Å; N176-S205 WeakPolarHBondContact CB-OG 3.5Å; N176-S205 VanDerWaalsContact CG-OG 3.26Å; N176-S205 PolarHBondContact OD1-O 2.84Å; N176-S205 PolarHBondContact OD1-OG 3.31Å; N176-H207 PolarHBondContact ND2-CE1 2.88Å; N176-H207 VanDerWaalsContact ND2-CE1 3.29Å; N176-H207 PolarHBondContact OD1-CE1 2.85Å; N176-H207 VanDerWaalsContact OD1-CE1 3.23Å; N176-H207 PolarHBondContact OD1-ND1 2.76Å |
| 177 | I | 85.1 | Confident | 71.9 | Confident | 26 Ų | 26 | 90.5 Ų | 90.5 | 13% | 0.133 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 116.4 | -178.9 | -56.9 | 178.5 | 0 | 0 | 0 | 108.7 | V184 S205 I206 H207 | I177-V184 HydrophobicContact CD1-CG2 3.5Å; I177-V184 VanDerWaalsContact CD1-CG2 3.5Å; I177-S205 PolarHBondContact N-O 2.83Å; I177-I206 HydrophobicContact CB-CG1 4.35Å; I177-I206 HydrophobicContact CB-CG2 4.46Å; I177-I206 HydrophobicContact CD1-CG1 4.46Å; I177-I206 WeakPolarHBondContact O-CA 3.36Å; I177-H207 PolarHBondContact O-N 3.24Å; I177-H207 PolarHBondContact O-ND1 3.17Å |
| 178 | S | 82.7 | Confident | 72.6 | Confident | 69 Ų | 69 | 88.5 Ų | 88.5 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | trans | -109.3 | -15.1 | 175.4 | -32.4 | 0 | 0 | 0 | 0 | 113.1 | H207 | S178-H207 PolarHBondContact OG-CE1 2.84Å; S178-H207 PolarHBondContact OG-NE2 2.86Å | ||
| 179 | E | 78.3 | Confident | 73.1 | Confident | 147 Ų | 147 | 87.2 Ų | 87.2 | 69% | 0.687 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -67.6 | 155.6 | -172.7 | -59.2 | -62.1 | 156.8 | 0 | 0 | 111.1 | E181 | E179-E181 WeakPolarHBondContact CB-O 3.08Å; E179-E181 PolarHBondContact O-N 3.38Å |
| 180 | G | 73 | Confident | 73.7 | Confident | 90 Ų | 90 | 86 Ų | 86 | 93% | 0.928 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -64.4 | -20.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 181 | E | 79.6 | Confident | 73.9 | Confident | 181 Ų | 181 | 84.5 Ų | 84.5 | 85% | 0.846 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -151 | 147.1 | 174.6 | 61.7 | -157.6 | 156 | 0 | 0 | 108.7 | E179 | E179-E181 WeakPolarHBondContact CB-O 3.08Å; E179-E181 PolarHBondContact O-N 3.38Å |
| 182 | G | 84.7 | Confident | 74 | Confident | 47 Ų | 47 | 86.5 Ų | 86.5 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | trans | -175.4 | 160.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 183 | Y | 85.6 | Confident | 73.8 | Confident | 185 Ų | 185 | 84.5 Ų | 84.5 | 73% | 0.725 | 50% | 0.495 | S | S | * | . | trans | -112.7 | 139.2 | -178.5 | -59.1 | -71.9 | 0 | 0 | 0 | 110.8 | Q219 | Y183-Q219 VanDerWaalsContact CD1-NE2 3.33Š| ||
| 184 | V | 86.1 | Confident | 73 | Confident | 58 Ų | 58 | 83.7 Ų | 83.7 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | trans | -104.2 | 114.8 | 170.4 | 177.6 | 0 | 0 | 0 | 0 | 107.2 | I177 Y204 I206 | I177-V184 HydrophobicContact CD1-CG2 3.5Å; I177-V184 VanDerWaalsContact CD1-CG2 3.5Å; V184-Y204 HydrophobicContact CG1-CD1 3.74Å; V184-Y204 HydrophobicContact CG1-CD2 3.93Å; V184-Y204 HydrophobicContact CG1-CE1 3.92Å; V184-Y204 HydrophobicContact CG1-CE2 4.16Å; V184-Y204 HydrophobicContact CG1-CG 3.72Å; V184-I206 HydrophobicContact CG2-CD1 4.29Å | ||
| 185 | E | 84.1 | Confident | 72 | Confident | 136 Ų | 136 | 87.7 Ų | 87.7 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | trans | -104.1 | 143.9 | 174.3 | -64.1 | -175.4 | 132.7 | 0 | 0 | 110.1 | Y204 | E185-Y204 PolarHBondContact O-OH 3.05Š| ||
| 186 | S | 77.3 | Confident | 70.8 | Confident | 89 Ų | 89 | 88.8 Ų | 88.8 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | trans | -61.9 | 149.1 | 173.2 | 51.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 187 | P | 74.9 | Confident | 69.4 | Low | 11 Ų | 11 | 90.1 Ų | 90.1 | 7% | 0.071 | 52% | 0.515 | C | S | . | . | trans | -65.8 | 142.3 | 179.2 | -13.6 | 28.5 | 0 | 0 | 0 | 111.4 | C173 L189 L200 C202 Y204 | C173-P187 HydrophobicContact CB-CB 4Å; C173-P187 HydrophobicContact CB-CG 3.47Å; C173-P187 VanDerWaalsContact CB-CG 3.47Å; P187-L189 PolarHBondContact O-N 2.93Å; P187-L200 HydrophobicContact CB-CD2 3.7Å; P187-L200 HydrophobicContact CG-CD2 4.05Å; P187-C202 HydrophobicContact CG-CB 4.26Å; P187-Y204 WeakPolarHBondContact CD-OH 3.42Å | ||
| 188 | D | 69.2 | Low | 67.9 | Low | 86 Ų | 86 | 91 Ų | 91 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | trans | -68.9 | 95.5 | 175.7 | -89.1 | -45.2 | 0 | 0 | 0 | 111.8 | G190 S191 S194 | D188-G190 PolarHBondContact O-N 3.2Å; D188-S191 WeakPolarHBondContact O-CB 3.34Å; D188-S191 PolarHBondContact O-N 3.21Å; D188-S191 VanDerWaalsContact O-N 3.13Å; D188-S194 WeakPolarHBondContact O-CB 3.5Å; D188-S194 PolarHBondContact O-OG 2.8Å | ||
| 189 | L | 60.5 | Low | 66.6 | Low | 86 Ų | 86 | 92.7 Ų | 92.7 | 45% | 0.45 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.9 | 171.3 | -58.8 | -177.2 | 0 | 0 | 0 | 112.6 | P187 S191 R195 L200 | P187-L189 PolarHBondContact O-N 2.93Å; L189-S191 VanDerWaalsContact C-N 3.26Å; L189-S191 PolarHBondContact O-N 3Å; L189-R195 WeakPolarHBondContact O-CG 3.42Å; L189-L200 HydrophobicContact CD2-CD1 3.83Å; L189-L200 HydrophobicContact CD2-CD2 3.65Å; L189-L200 HydrophobicContact CD2-CG 4.28Å |
| 190 | G | 54.7 | Low | 66.1 | Low | 53 Ų | 53 | 86.8 Ų | 86.8 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -21.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D188 R195 | D188-G190 PolarHBondContact O-N 3.2Å; G190-R195 PolarHBondContact O-NH2 2.83Å |
| 191 | S | 56.3 | Low | 66.3 | Low | 22 Ų | 22 | 86.7 Ų | 86.7 | 15% | 0.154 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -64.3 | 139.4 | 178.6 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | D188 L189 V193 S194 R195 | D188-S191 WeakPolarHBondContact O-CB 3.34Å; D188-S191 PolarHBondContact O-N 3.21Å; D188-S191 VanDerWaalsContact O-N 3.13Å; L189-S191 VanDerWaalsContact C-N 3.26Å; L189-S191 PolarHBondContact O-N 3Å; S191-V193 PolarHBondContact O-N 3.06Å; S191-V193 PolarHBondContact OG-N 3.35Å; S191-S194 PolarHBondContact O-N 3.48Å; S191-R195 PolarHBondContact O-N 2.9Å |
| 192 | P | 53.4 | Low | 66.5 | Low | 93 Ų | 93 | 78.1 Ų | 78.1 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.6 | -27.4 | 176.3 | 25.2 | -34.3 | 0 | 0 | 0 | 112.6 | T196 | P192-T196 PolarHBondContact O-N 2.03Å; P192-T196 PolarHBondContact O-OG1 3.35Å |
| 193 | V | 56.2 | Low | 66.6 | Low | 83 Ų | 83 | 78.4 Ų | 78.4 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.7 | -42 | 178.5 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | S191 R195 T196 L197 | S191-V193 PolarHBondContact O-N 3.06Å; S191-V193 PolarHBondContact OG-N 3.35Å; V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 PolarHBondContact O-N 2.91Å; V193-T196 PolarHBondContact O-N 3.15Å; V193-T196 PolarHBondContact O-OG1 2.77Å; V193-L197 HydrophobicContact CG1-CD1 4.41Å; V193-L197 PolarHBondContact O-N 2.72Å |
| 194 | S | 55.8 | Low | 66.7 | Low | 18 Ų | 18 | 70.2 Ų | 70.2 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 177.2 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | D188 S191 T196 L197 | D188-S194 WeakPolarHBondContact O-CB 3.5Å; D188-S194 PolarHBondContact O-OG 2.8Å; S191-S194 PolarHBondContact O-N 3.48Å; S194-T196 VanDerWaalsContact C-N 3.31Å; S194-T196 PolarHBondContact O-N 2.9Å; S194-L197 PolarHBondContact O-N 2.88Å; S194-L197 VanDerWaalsContact O-N 3.15Å |
| 195 | R | 53.7 | Low | 66.9 | Low | 180 Ų | 180 | 68.6 Ų | 68.6 | 68% | 0.679 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66 | -26.9 | 178.7 | -76.8 | -175.9 | -85.5 | 178.6 | -7.9 | 114.4 | L189 G190 S191 V193 | L189-R195 WeakPolarHBondContact O-CG 3.42Å; G190-R195 PolarHBondContact O-NH2 2.83Å; S191-R195 PolarHBondContact O-N 2.9Å; V193-R195 VanDerWaalsContact C-N 3.34Å; V193-R195 PolarHBondContact O-N 2.91Å |
| 196 | T | 51.2 | Low | 67.1 | Low | 118 Ų | 118 | 63.1 Ų | 63.1 | 72% | 0.724 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -78.4 | -17.5 | 173.9 | 38.8 | 0 | 0 | 0 | 0 | 114.4 | P192 V193 S194 | P192-T196 PolarHBondContact O-N 2.03Å; P192-T196 PolarHBondContact O-OG1 3.35Å; V193-T196 PolarHBondContact O-N 3.15Å; V193-T196 PolarHBondContact O-OG1 2.77Å; S194-T196 VanDerWaalsContact C-N 3.31Å; S194-T196 PolarHBondContact O-N 2.9Å |
| 197 | L | 55.4 | Low | 67.6 | Low | 115 Ų | 115 | 62.1 Ų | 62.1 | 60% | 0.602 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -92 | -24.3 | -174 | -76 | 168.9 | 0 | 0 | 0 | 114.1 | V193 S194 L199 | V193-L197 HydrophobicContact CG1-CD1 4.41Å; V193-L197 PolarHBondContact O-N 2.72Å; S194-L197 PolarHBondContact O-N 2.88Å; S194-L197 VanDerWaalsContact O-N 3.15Å; L197-L199 PolarHBondContact O-N 3.26Å |
| 198 | G | 53 | Low | 68.2 | Low | 44 Ų | 44 | 63.2 Ų | 63.2 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | trans | 65.7 | -16.9 | 167 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 199 | L | 56 | Low | 68.9 | Low | 105 Ų | 105 | 68 Ų | 68 | 55% | 0.55 | 38% | 0.376 | S | S | . | . | trans | -136.7 | 109.2 | 173.2 | -63.5 | 96 | 0 | 0 | 0 | 107.2 | P23 L197 | P23-L199 HydrophobicContact CG-CD1 4.29Å; P23-L199 HydrophobicContact CG-CD2 4.21Å; P23-L199 HydrophobicContact CG-CG 3.84Å; L197-L199 PolarHBondContact O-N 3.26Å | ||
| 200 | L | 67.2 | Low | 70 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | trans | -99.8 | 77.5 | 171.3 | -80.2 | 90.6 | 0 | 0 | 0 | 109.1 | L19 S21 P187 L189 C202 | L19-L200 VanDerWaalsContact O-O 3.08Å; S21-L200 PolarHBondContact OG-N 3.24Å; P187-L200 HydrophobicContact CB-CD2 3.7Å; P187-L200 HydrophobicContact CG-CD2 4.05Å; L189-L200 HydrophobicContact CD2-CD1 3.83Å; L189-L200 HydrophobicContact CD2-CD2 3.65Å; L189-L200 HydrophobicContact CD2-CG 4.28Å; L200-C202 PolarHBondContact O-N 3.35Å | ||
| 201 | D | 78.4 | Confident | 71.2 | Confident | 89 Ų | 89 | 67.4 Ų | 67.4 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | trans | -80.1 | 93.8 | 167 | -75.5 | -15.9 | 0 | 0 | 0 | 109.1 | ||||
| 202 | C | 82.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.7 | -166.8 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | I18 L19 C173 N174 P187 L200 Y204 | I18-C202 CarbonylContact C-O 3.6Å; I18-C202 WeakPolarHBondContact CA-O 3.38Å; L19-C202 HydrophobicContact CB-CB 4.33Å; L19-C202 PolarHBondContact N-O 3.48Å; L19-C202 PolarHBondContact O-N 3.31Å; C173-C202 HydrophobicContact CB-CB 3.47Å; C173-C202 VanDerWaalsContact CB-CB 3.47Å; C173-C202 WeakPolarHBondContact CB-SG 3.31Å; C173-C202 VanDerWaalsContact SG-CA 3.53Å; C173-C202 WeakPolarHBondContact SG-CB 3.44Å; C173-C202 CovalentContact SG-SG 2.03Å; C173-C202 PolarHBondContact SG-SG 3.49Å; N174-C202 WeakPolarHBondContact OD1-CA 3.29Å; P187-C202 HydrophobicContact CG-CB 4.26Å; L200-C202 PolarHBondContact O-N 3.35Å; C202-Y204 HydrophobicContact CB-CE2 4.29Å |
| 203 | T | 86.8 | Confident | 74.1 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 33% | 0.325 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 101.4 | -176.2 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | F16 L17 I18 N174 | F16-T203 HydrophobicContact CD1-CG2 4.05Å; L17-T203 CarbonylContact O-C 3.56Å; L17-T203 WeakPolarHBondContact O-CA 3.02Å; I18-T203 HydrophobicContact CG1-CG2 4.11Å; N174-T203 WeakPolarHBondContact CA-O 3.47Å; N174-T203 PolarHBondContact OD1-N 3.1Å |
| 204 | Y | 88.3 | Confident | 75.7 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 141.4 | 171.6 | -56.2 | -98.6 | 0 | 0 | 0 | 110.1 | F16 L17 N175 V184 E185 P187 C202 | F16-Y204 CarbonylContact C-O 3.54Å; F16-Y204 VanDerWaalsContact CA-O 3.31Å; F16-Y204 WeakPolarHBondContact CA-O 3.31Å; L17-Y204 PolarHBondContact N-O 3.48Å; L17-Y204 PolarHBondContact O-N 2.77Å; N175-Y204 HydrophobicContact CB-CD1 4.18Å; N175-Y204 HydrophobicContact CB-CE1 4.49Å; N175-Y204 WeakPolarHBondContact O-CA 3.25Å; V184-Y204 HydrophobicContact CG1-CD1 3.74Å; V184-Y204 HydrophobicContact CG1-CD2 3.93Å; V184-Y204 HydrophobicContact CG1-CE1 3.92Å; V184-Y204 HydrophobicContact CG1-CE2 4.16Å; V184-Y204 HydrophobicContact CG1-CG 3.72Å; E185-Y204 PolarHBondContact O-OH 3.05Å; P187-Y204 WeakPolarHBondContact CD-OH 3.42Å; C202-Y204 HydrophobicContact CB-CE2 4.29Å |
| 205 | S | 89.3 | Confident | 77.4 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 18% | 0.175 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136 | 175.6 | 42.2 | 0 | 0 | 0 | 0 | 110.4 | L15 N175 N176 I177 | L15-S205 CarbonylContact O-C 3.59Å; L15-S205 WeakPolarHBondContact O-CA 3.19Å; N175-S205 PolarHBondContact O-N 2.83Å; N176-S205 CarbonylContact C-O 3.57Å; N176-S205 WeakPolarHBondContact CA-O 3.38Å; N176-S205 WeakPolarHBondContact CB-OG 3.5Å; N176-S205 VanDerWaalsContact CG-OG 3.26Å; N176-S205 PolarHBondContact OD1-O 2.84Å; N176-S205 PolarHBondContact OD1-OG 3.31Å; I177-S205 PolarHBondContact N-O 2.83Å |
| 206 | I | 90 | Very high | 79.2 | Confident | 21 Ų | 21 | 64 Ų | 64 | 11% | 0.108 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 120.4 | 176.1 | -51.6 | 179.4 | 0 | 0 | 0 | 107.4 | L14 L15 L17 I177 V184 I214 I216 | L14-I206 CarbonylContact C-O 3.54Å; L14-I206 VanDerWaalsContact CA-O 3.3Å; L14-I206 WeakPolarHBondContact CA-O 3.04Å; L15-I206 HydrophobicContact CB-CB 4.38Å; L15-I206 PolarHBondContact N-O 2.8Å; L15-I206 PolarHBondContact O-N 2.81Å; L17-I206 HydrophobicContact CD1-CD1 3.54Å; L17-I206 HydrophobicContact CD1-CG1 4.01Å; I177-I206 HydrophobicContact CB-CG1 4.35Å; I177-I206 HydrophobicContact CB-CG2 4.46Å; I177-I206 HydrophobicContact CD1-CG1 4.46Å; I177-I206 WeakPolarHBondContact O-CA 3.36Å; V184-I206 HydrophobicContact CG2-CD1 4.29Å; I206-I214 HydrophobicContact CG2-CD1 4.28Å; I206-I214 HydrophobicContact CG2-CG2 4.02Å; I206-I214 WeakPolarHBondContact O-CD1 3.44Å; I206-I216 HydrophobicContact CD1-CD1 4.15Å; I206-I216 HydrophobicContact CD1-CG1 4.33Å |
| 207 | H | 87.6 | Confident | 81.2 | Confident | 67 Ų | 67 | 64.5 Ų | 64.5 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.7 | 179.3 | 66.3 | -77.1 | 0 | 0 | 0 | 112 | Q13 L14 N176 I177 S178 | Q13-H207 WeakPolarHBondContact O-CA 3.37Å; Q13-H207 WeakPolarHBondContact O-CB 3.36Å; L14-H207 HydrophobicContact CD1-CB 4.13Å; N176-H207 PolarHBondContact ND2-CE1 2.88Å; N176-H207 VanDerWaalsContact ND2-CE1 3.29Å; N176-H207 PolarHBondContact OD1-CE1 2.85Å; N176-H207 VanDerWaalsContact OD1-CE1 3.23Å; N176-H207 PolarHBondContact OD1-ND1 2.76Å; I177-H207 PolarHBondContact O-N 3.24Å; I177-H207 PolarHBondContact O-ND1 3.17Å; S178-H207 PolarHBondContact OG-CE1 2.84Å; S178-H207 PolarHBondContact OG-NE2 2.86Å |
| 208 | V | 86.9 | Confident | 83 | Confident | 35 Ų | 35 | 60 Ų | 60 | 21% | 0.212 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 161.2 | 180 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | Q13 I214 | Q13-V208 HydrophobicContact CB-CG2 4.11Å; V208-I214 HydrophobicContact CB-CG1 4.3Å; V208-I214 HydrophobicContact CG1-CD1 4.38Å; V208-I214 HydrophobicContact CG1-CG1 3.8Å; V208-I214 HydrophobicContact CG2-CD1 4.05Å; V208-I214 HydrophobicContact CG2-CG1 3.54Å |
| 209 | Y | 84.4 | Confident | 84.8 | Confident | 186 Ų | 186 | 63.9 Ų | 63.9 | 73% | 0.729 | 33% | 0.333 | S | S | * | . | trans | -58.8 | 141.7 | 176.3 | -72.4 | -73.4 | 0 | 0 | 0 | 111.8 | G211 Y212 | Y209-G211 PolarHBondContact O-N 2.85Å; Y209-Y212 PolarHBondContact O-N 3.49Å | ||
| 210 | P | 82.1 | Confident | 86.3 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 127.6 | 176.5 | -26.5 | 34.9 | 0 | 0 | 0 | 112.4 | P10 | P10-P210 HydrophobicContact CB-CB 4.01Å; P10-P210 HydrophobicContact CG-CB 3.69Å; P10-P210 WeakPolarHBondContact O-CB 3.43Å |
| 211 | G | 80.3 | Confident | 87.3 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 106.8 | -19.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y209 | Y209-G211 PolarHBondContact O-N 2.85Š|
| 212 | Y | 83.8 | Confident | 87.7 | Confident | 168 Ų | 168 | 68 Ų | 68 | 66% | 0.659 | 36% | 0.36 | S | S | * | . | trans | -90.2 | 156.5 | 167.1 | -62.8 | -88.2 | 0 | 0 | 0 | 110 | Q13 Y209 | Q13-Y212 PolarHBondContact NE2-O 2.95Å; Q13-Y212 PolarHBondContact OE1-O 2.8Å; Y209-Y212 PolarHBondContact O-N 3.49Å | ||
| 213 | G | 86.6 | Confident | 87.9 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 28% | 0.278 | 37% | 0.372 | S | S | . | . | trans | -114.3 | 152.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 214 | I | 90.8 | Very high | 87.7 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | trans | -95.4 | 132.9 | -179.4 | -52.4 | 167.8 | 0 | 0 | 0 | 109.3 | Q13 L15 I206 V208 I216 S259 | Q13-I214 HydrophobicContact CB-CD1 4.46Å; L15-I214 HydrophobicContact CB-CD1 4.4Å; L15-I214 HydrophobicContact CD1-CB 3.84Å; L15-I214 HydrophobicContact CD1-CD1 4.4Å; L15-I214 HydrophobicContact CD1-CG2 3.57Å; L15-I214 HydrophobicContact CG-CB 4.26Å; L15-I214 HydrophobicContact CG-CD1 3.9Å; L15-I214 HydrophobicContact CG-CG2 4.25Å; I206-I214 HydrophobicContact CG2-CD1 4.28Å; I206-I214 HydrophobicContact CG2-CG2 4.02Å; I206-I214 WeakPolarHBondContact O-CD1 3.44Å; V208-I214 HydrophobicContact CB-CG1 4.3Å; V208-I214 HydrophobicContact CG1-CD1 4.38Å; V208-I214 HydrophobicContact CG1-CG1 3.8Å; V208-I214 HydrophobicContact CG2-CD1 4.05Å; V208-I214 HydrophobicContact CG2-CG1 3.54Å; I214-I216 HydrophobicContact CG2-CG1 4.4Å; I214-S259 PolarHBondContact N-OG 2.86Å; I214-S259 PolarHBondContact O-N 3.01Å; I214-S259 PolarHBondContact O-OG 3.04Å | ||
| 215 | E | 91.8 | Very high | 87.4 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135 | 169 | -174.2 | 168.6 | 107.5 | 0 | 0 | 108.5 | V256 L257 R258 | E215-V256 VanDerWaalsContact CD-CG1 3.4Å; E215-V256 HydrophobicContact CG-CG1 3.4Å; E215-V256 VanDerWaalsContact CG-CG1 3.4Å; E215-L257 CarbonylContact C-O 3.58Å; E215-L257 WeakPolarHBondContact CA-O 3.39Å; E215-R258 HydrophobicContact CG-CG 4.22Å; E215-R258 IonicContact OE2-CZ 3.13Å; E215-R258 IonicContact OE2-NE 2.67Å; E215-R258 PolarHBondContact OE2-NE 2.84Å; E215-R258 IonicContact OE2-NH2 2.75Å; E215-R258 PolarHBondContact OE2-NH2 2.79Å |
| 216 | I | 91.6 | Very high | 87 | Confident | 27 Ų | 27 | 82.9 Ų | 82.9 | 14% | 0.138 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.4 | 176.4 | -62.4 | 173.7 | 0 | 0 | 0 | 107.3 | L15 L17 I206 I214 V231 V256 L257 | L15-I216 HydrophobicContact CD1-CD1 3.43Å; L15-I216 VanDerWaalsContact CD1-CD1 3.43Å; L15-I216 HydrophobicContact CD1-CG1 3.93Å; L17-I216 HydrophobicContact CD1-CD1 3.9Å; L17-I216 HydrophobicContact CD2-CD1 4.34Å; L17-I216 HydrophobicContact CG-CD1 4.37Å; I206-I216 HydrophobicContact CD1-CD1 4.15Å; I206-I216 HydrophobicContact CD1-CG1 4.33Å; I214-I216 HydrophobicContact CG2-CG1 4.4Å; I216-V231 HydrophobicContact CD1-CG1 4.02Å; I216-V256 CarbonylContact O-C 3.23Å; I216-V256 WeakPolarHBondContact O-CA 3.49Å; I216-L257 HydrophobicContact CB-CB 4.3Å; I216-L257 PolarHBondContact N-O 3.19Å; I216-L257 PolarHBondContact O-N 2.89Å |
| 217 | Q | 93.1 | Very high | 86.6 | Confident | 130 Ų | 130 | 83.9 Ų | 83.9 | 61% | 0.607 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.6 | 168.6 | -173.1 | 172.7 | 24.2 | 0 | 0 | 109.7 | Q219 V256 | Q217-Q219 PolarHBondContact O-N 2.72Å; Q217-V256 HydrophobicContact CB-CG2 4.45Å; Q217-V256 HydrophobicContact CG-CG2 4.18Å |
| 218 | V | 92.7 | Very high | 86.6 | Confident | 19 Ų | 19 | 84.7 Ų | 84.7 | 12% | 0.115 | 44% | 0.438 | C | S | . | . | trans | -73.9 | 115.2 | 171.6 | -177.7 | 0 | 0 | 0 | 0 | 108 | L221 L251 G252 G254 Q255 | V218-L221 HydrophobicContact CG1-CB 3.81Å; V218-L221 HydrophobicContact CG1-CD1 4.22Å; V218-L251 HydrophobicContact CG2-CB 4.44Å; V218-L251 HydrophobicContact CG2-CD2 3.95Å; V218-G252 WeakPolarHBondContact CB-O 3.38Å; V218-G252 WeakPolarHBondContact CG1-O 3.03Å; V218-G254 VanDerWaalsContact O-CA 3.29Å; V218-G254 WeakPolarHBondContact O-CA 3.4Å; V218-G254 PolarHBondContact O-N 3.03Å; V218-Q255 HydrophobicContact CB-CB 4.38Å; V218-Q255 HydrophobicContact CG2-CB 4.19Å; V218-Q255 PolarHBondContact N-O 2.8Å | ||
| 219 | Q | 90.3 | Very high | 86.7 | Confident | 127 Ų | 127 | 84.4 Ų | 84.4 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | trans | -81.9 | -62.3 | 171.9 | -74.8 | -167.3 | 70.4 | 0 | 0 | 111 | Y183 Q217 | Y183-Q219 VanDerWaalsContact CD1-NE2 3.33Å; Q217-Q219 PolarHBondContact O-N 2.72Å | ||
| 220 | T | 88.1 | Confident | 87.1 | Confident | 109 Ų | 109 | 77.2 Ų | 77.2 | 67% | 0.669 | 41% | 0.409 | S | S | * | . | trans | -127.9 | 138.2 | -179.9 | -53.1 | 0 | 0 | 0 | 0 | 108 | E253 | T220-E253 WeakPolarHBondContact CA-OE1 3.36Å; T220-E253 WeakPolarHBondContact CG2-OE1 3.35Å | ||
| 221 | L | 88.2 | Confident | 87.6 | Confident | 44 Ų | 44 | 74.5 Ų | 74.5 | 23% | 0.23 | 39% | 0.392 | C | S | . | . | trans | -137.1 | 104.7 | 174 | -171.6 | 142.8 | 0 | 0 | 0 | 109.5 | V218 L223 L229 L251 | V218-L221 HydrophobicContact CG1-CB 3.81Å; V218-L221 HydrophobicContact CG1-CD1 4.22Å; L221-L223 HydrophobicContact CD1-CD1 4.47Å; L221-L223 HydrophobicContact CD2-CD1 3.9Å; L221-L223 HydrophobicContact CD2-CG 3.98Å; L221-L223 HydrophobicContact CG-CD1 4.23Å; L221-L223 HydrophobicContact CG-CG 4.21Å; L221-L229 HydrophobicContact CD1-CD2 4.02Å; L221-L251 HydrophobicContact CD1-CB 3.56Å; L221-L251 HydrophobicContact CD1-CD1 4.39Å | ||
| 222 | N | 87 | Confident | 88.2 | Confident | 150 Ų | 150 | 72.6 Ų | 72.6 | 80% | 0.802 | 37% | 0.365 | S | S | * | . | trans | -127.6 | 95.1 | 179.4 | -173.2 | 10.8 | 0 | 0 | 0 | 107.9 | ||||
| 223 | L | 85.5 | Confident | 88.5 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | trans | -111.3 | 137.7 | 179.7 | -60.7 | 175.8 | 0 | 0 | 0 | 108.8 | L19 L221 E227 L229 S248 | L19-L223 HydrophobicContact CD1-CD2 3.62Å; L221-L223 HydrophobicContact CD1-CD1 4.47Å; L221-L223 HydrophobicContact CD2-CD1 3.9Å; L221-L223 HydrophobicContact CD2-CG 3.98Å; L221-L223 HydrophobicContact CG-CD1 4.23Å; L221-L223 HydrophobicContact CG-CG 4.21Å; L223-E227 HydrophobicContact CB-CB 4.28Å; L223-E227 HydrophobicContact CD2-CB 4.31Å; L223-L229 HydrophobicContact CD1-CB 3.75Å; L223-S248 VanDerWaalsContact CD1-CB 3.48Å | ||
| 224 | S | 83.9 | Confident | 88.4 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | trans | -71.6 | 168.7 | 169.9 | 66.5 | 0 | 0 | 0 | 0 | 111.5 | E226 E227 | S224-E226 PolarHBondContact O-N 2.97Å; S224-E226 VanDerWaalsContact O-N 3.16Å; S224-E226 VanDerWaalsContact OG-CG 3.29Å; S224-E226 WeakPolarHBondContact OG-CG 3.34Å; S224-E227 VanDerWaalsContact CB-OE2 3.26Å; S224-E227 WeakPolarHBondContact CB-OE2 3.48Å; S224-E227 PolarHBondContact N-OE2 3.45Å; S224-E227 PolarHBondContact O-N 2.81Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 VanDerWaalsContact OG-CG 3.31Å; S224-E227 WeakPolarHBondContact OG-CG 3.47Å; S224-E227 PolarHBondContact OG-OE2 3.02Å | ||
| 225 | Q | 82.2 | Confident | 87.6 | Confident | 212 Ų | 212 | 66.8 Ų | 66.8 | 99% | 0.991 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15 | 178.9 | -173.5 | 165.1 | 39.4 | 0 | 0 | 113.4 | ||
| 226 | E | 79.9 | Confident | 86.2 | Confident | 95 Ų | 95 | 64 Ų | 64 | 44% | 0.444 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 1.3 | 179.8 | 53 | -170.2 | -147.7 | 0 | 0 | 113.3 | C22 S224 | C22-E226 PolarHBondContact N-O 3.17Å; C22-E226 WeakPolarHBondContact O-CB 2.9Å; S224-E226 PolarHBondContact O-N 2.97Å; S224-E226 VanDerWaalsContact O-N 3.16Å; S224-E226 VanDerWaalsContact OG-CG 3.29Å; S224-E226 WeakPolarHBondContact OG-CG 3.34Å |
| 227 | E | 83 | Confident | 84.6 | Confident | 41 Ų | 41 | 66.2 Ų | 66.2 | 19% | 0.192 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.6 | 178.4 | -73.4 | 165.7 | 131.8 | 0 | 0 | 112.6 | L20 L223 S224 | L20-E227 CarbonylContact O-C 3.52Å; L20-E227 VanDerWaalsContact O-CA 3.3Å; L20-E227 WeakPolarHBondContact O-CA 3.37Å; L223-E227 HydrophobicContact CB-CB 4.28Å; L223-E227 HydrophobicContact CD2-CB 4.31Å; S224-E227 VanDerWaalsContact CB-OE2 3.26Å; S224-E227 WeakPolarHBondContact CB-OE2 3.48Å; S224-E227 PolarHBondContact N-OE2 3.45Å; S224-E227 PolarHBondContact O-N 2.81Å; S224-E227 VanDerWaalsContact OG-CD 3.24Å; S224-E227 VanDerWaalsContact OG-CG 3.31Å; S224-E227 WeakPolarHBondContact OG-CG 3.47Å; S224-E227 PolarHBondContact OG-OE2 3.02Å |
| 228 | E | 86.9 | Confident | 83 | Confident | 85 Ų | 85 | 66.6 Ų | 66.6 | 40% | 0.397 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.6 | 171.2 | -167.6 | 178.3 | -176.1 | 0 | 0 | 110.5 | L19 L20 L230 | L19-E228 CarbonylContact C-O 3.57Å; L19-E228 WeakPolarHBondContact CA-O 3.33Å; L20-E228 PolarHBondContact N-O 2.84Å; L20-E228 PolarHBondContact O-N 2.56Å; E228-L230 HydrophobicContact CB-CD1 4.3Å; E228-L230 HydrophobicContact CG-CD1 3.73Å; E228-L230 HydrophobicContact CG-CG 4.27Å |
| 229 | L | 89.6 | Confident | 81.7 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 15% | 0.152 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 126.4 | 172.1 | 179.3 | 64.1 | 0 | 0 | 0 | 109.3 | L17 I18 L19 L221 L223 N247 S248 L251 | L17-L229 HydrophobicContact CB-CD1 4.42Å; I18-L229 CarbonylContact O-C 3.56Å; I18-L229 WeakPolarHBondContact O-CA 3.43Å; L19-L229 HydrophobicContact CB-CD1 4.2Å; L19-L229 HydrophobicContact CD1-CB 4.23Å; L19-L229 HydrophobicContact CD1-CD1 4.39Å; L221-L229 HydrophobicContact CD1-CD2 4.02Å; L223-L229 HydrophobicContact CD1-CB 3.75Å; L229-N247 CarbonylContact O-C 3.56Å; L229-N247 VanDerWaalsContact O-C 3.23Å; L229-N247 WeakPolarHBondContact O-CA 3.33Å; L229-S248 PolarHBondContact O-N 2.97Å; L229-L251 HydrophobicContact CD2-CD1 3.95Å; L229-L251 HydrophobicContact CG-CD1 4.27Å |
| 230 | L | 91.8 | Very high | 80.8 | Confident | 34 Ų | 34 | 69.4 Ų | 69.4 | 18% | 0.178 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 134.4 | 176.7 | -58.4 | 92.6 | 0 | 0 | 0 | 110.3 | L17 I18 L20 E228 L232 L244 | L17-L230 CarbonylContact C-O 3.57Å; L17-L230 WeakPolarHBondContact CA-O 3.48Å; I18-L230 PolarHBondContact N-O 2.86Å; I18-L230 PolarHBondContact O-N 3.28Å; L20-L230 HydrophobicContact CD1-CD1 3.35Å; E228-L230 HydrophobicContact CB-CD1 4.3Å; E228-L230 HydrophobicContact CG-CD1 3.73Å; E228-L230 HydrophobicContact CG-CG 4.27Å; L230-L232 HydrophobicContact CB-CD1 3.76Å; L230-L244 HydrophobicContact CB-CD1 4Å; L230-L244 HydrophobicContact CD2-CD1 4.05Å; L230-L244 HydrophobicContact CG-CD1 4.44Å |
| 231 | V | 93.3 | Very high | 80.4 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.018 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 116.6 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | F16 L17 I216 L245 A246 L251 L257 | F16-V231 CarbonylContact O-C 3.52Å; F16-V231 WeakPolarHBondContact O-CA 3.4Å; L17-V231 HydrophobicContact CD2-CG2 4.45Å; L17-V231 HydrophobicContact CG-CG2 4.23Å; I216-V231 HydrophobicContact CD1-CG1 4.02Å; V231-L245 HydrophobicContact CG1-CB 4.48Å; V231-L245 HydrophobicContact CG1-CD1 4.42Å; V231-L245 WeakPolarHBondContact O-CB 3.45Å; V231-L245 PolarHBondContact O-N 2.73Å; V231-A246 PolarHBondContact N-O 3.32Å; V231-A246 PolarHBondContact O-N 3.26Å; V231-L251 HydrophobicContact CG2-CD1 3.91Å; V231-L257 HydrophobicContact CB-CD2 3.85Å; V231-L257 HydrophobicContact CG1-CD2 3.74Å; V231-L257 HydrophobicContact CG2-CD2 4.15Å |
| 232 | L | 92.6 | Very high | 80.3 | Confident | 28 Ų | 28 | 69.7 Ų | 69.7 | 15% | 0.147 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.4 | -175.9 | -56 | 88.1 | 0 | 0 | 0 | 111.5 | L15 F16 I18 L230 P242 R243 L244 | L15-L232 CarbonylContact C-O 3.57Å; L15-L232 WeakPolarHBondContact CA-O 3.42Å; F16-L232 HydrophobicContact CB-CB 4.4Å; F16-L232 PolarHBondContact N-O 3.42Å; F16-L232 PolarHBondContact O-N 2.76Å; I18-L232 HydrophobicContact CD1-CD1 3.66Å; I18-L232 HydrophobicContact CG1-CD1 3.88Å; L230-L232 HydrophobicContact CB-CD1 3.76Å; L232-P242 HydrophobicContact CB-CB 4.02Å; L232-P242 HydrophobicContact CD2-CB 3.93Å; L232-R243 CarbonylContact C-O 3.52Å; L232-R243 WeakPolarHBondContact CA-O 3.46Å; L232-L244 HydrophobicContact CG-CD1 4.27Å |
| 233 | A | 90.6 | Very high | 80.4 | Confident | 13 Ų | 13 | 70.7 Ų | 70.7 | 11% | 0.107 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L15 P242 R243 L245 P260 | L15-A233 HydrophobicContact CD2-CB 3.93Å; A233-P242 CarbonylContact O-C 3.59Å; A233-P242 WeakPolarHBondContact O-CA 3.38Å; A233-R243 PolarHBondContact N-O 3.44Å; A233-R243 PolarHBondContact O-N 2.81Å; A233-L245 HydrophobicContact CB-CD1 4.1Å; A233-L245 HydrophobicContact CB-CD2 3.91Å; A233-L245 HydrophobicContact CB-CG 4.03Å; A233-P260 HydrophobicContact CB-CG 3.94Å |
| 234 | G | 82.8 | Confident | 80.7 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 16% | 0.155 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 159.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112 | L14 | L14-G234 PolarHBondContact N-O 2.79Å; L14-G234 CarbonylContact O-C 3.48Å; L14-G234 WeakPolarHBondContact O-CA 3.3Å; L14-G234 PolarHBondContact O-N 2.82Å |
| 235 | G | 73.9 | Confident | 81.1 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 54% | 0.536 | 43% | 0.433 | S | S | . | . | trans | 101.8 | 160.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P12 | P12-G235 WeakPolarHBondContact O-CA 3.29Š| ||
| 236 | G | 63.7 | Low | 81.6 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 126.7 | -42.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 237 | S | 57.3 | Low | 82.2 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -174.6 | 154 | 170.1 | -81.2 | 0 | 0 | 0 | 0 | 109.6 | G239 L240 | S237-G239 PolarHBondContact O-N 3.42Å; S237-L240 PolarHBondContact O-N 2.79Å |
| 238 | P | 60.3 | Low | 82.5 | Confident | 138 Ų | 138 | 59 Ų | 59 | 90% | 0.896 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.9 | 168.6 | 26.2 | -33.9 | 0 | 0 | 0 | 110.3 | ||
| 239 | G | 64.8 | Low | 82.6 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 90% | 0.897 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | -1.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | S237 | S237-G239 PolarHBondContact O-N 3.42Š|
| 240 | L | 70.8 | Confident | 82.7 | Confident | 118 Ų | 118 | 64 Ų | 64 | 62% | 0.618 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 132.3 | 166.4 | -72.9 | 173.1 | 0 | 0 | 0 | 110.4 | S237 | S237-L240 PolarHBondContact O-N 2.79Š|
| 241 | A | 79.8 | Confident | 82.6 | Confident | 88 Ų | 88 | 63 Ų | 63 | 73% | 0.727 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 143.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 242 | P | 86.1 | Confident | 82.5 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -58 | 138.4 | 174.1 | -23.5 | 34 | 0 | 0 | 0 | 111.9 | F16 L232 A233 | F16-P242 HydrophobicContact CE2-CG 4.36Å; L232-P242 HydrophobicContact CB-CB 4.02Å; L232-P242 HydrophobicContact CD2-CB 3.93Å; A233-P242 CarbonylContact O-C 3.59Å; A233-P242 WeakPolarHBondContact O-CA 3.38Å |
| 243 | R | 89.6 | Confident | 82.4 | Confident | 172 Ų | 172 | 69.3 Ų | 69.3 | 65% | 0.649 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.5 | -180 | 174.6 | 179.9 | 172.8 | 179.9 | -0.7 | 110.6 | L232 A233 L245 | L232-R243 CarbonylContact C-O 3.52Å; L232-R243 WeakPolarHBondContact CA-O 3.46Å; A233-R243 PolarHBondContact N-O 3.44Å; A233-R243 PolarHBondContact O-N 2.81Å; R243-L245 PolarHBondContact O-N 2.8Å |
| 244 | L | 91.8 | Very high | 82.3 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 130.6 | 170.3 | -170.5 | 67.3 | 0 | 0 | 0 | 111.2 | L230 L232 A246 | L230-L244 HydrophobicContact CB-CD1 4Å; L230-L244 HydrophobicContact CD2-CD1 4.05Å; L230-L244 HydrophobicContact CG-CD1 4.44Å; L232-L244 HydrophobicContact CG-CD1 4.27Å; L244-A246 VanDerWaalsContact CD1-O 3.31Å; L244-A246 WeakPolarHBondContact CD1-O 3.31Å |
| 245 | L | 92.4 | Very high | 82.8 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 20% | 0.199 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -45.3 | 173.8 | -60.2 | -172.2 | 0 | 0 | 0 | 111.6 | L15 V231 A233 R243 L257 P260 | L15-L245 HydrophobicContact CD2-CD1 3.68Å; V231-L245 HydrophobicContact CG1-CB 4.48Å; V231-L245 HydrophobicContact CG1-CD1 4.42Å; V231-L245 WeakPolarHBondContact O-CB 3.45Å; V231-L245 PolarHBondContact O-N 2.73Å; A233-L245 HydrophobicContact CB-CD1 4.1Å; A233-L245 HydrophobicContact CB-CD2 3.91Å; A233-L245 HydrophobicContact CB-CG 4.03Å; R243-L245 PolarHBondContact O-N 2.8Å; L245-L257 HydrophobicContact CB-CD2 3.89Å; L245-P260 HydrophobicContact CD2-CG 3.9Å |
| 246 | A | 93.3 | Very high | 83.7 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 2% | 0.017 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 161.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V231 L244 M250 L251 L257 | V231-A246 PolarHBondContact N-O 3.32Å; V231-A246 PolarHBondContact O-N 3.26Å; L244-A246 VanDerWaalsContact CD1-O 3.31Å; L244-A246 WeakPolarHBondContact CD1-O 3.31Å; A246-M250 HydrophobicContact CB-CB 4.01Å; A246-L251 HydrophobicContact CB-CD1 4.39Å; A246-L251 HydrophobicContact CB-CD2 3.87Å; A246-L251 HydrophobicContact CB-CG 3.95Å; A246-L257 HydrophobicContact CB-CD1 4.05Å; A246-L257 HydrophobicContact CB-CD2 3.66Å; A246-L257 HydrophobicContact CB-CG 4.37Å |
| 247 | N | 92.3 | Very high | 85 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 19% | 0.193 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 178.9 | 168.1 | 66.8 | -14.8 | 0 | 0 | 0 | 110.1 | L229 S249 M250 L251 | L229-N247 CarbonylContact O-C 3.56Å; L229-N247 VanDerWaalsContact O-C 3.23Å; L229-N247 WeakPolarHBondContact O-CA 3.33Å; N247-S249 VanDerWaalsContact C-N 3.27Å; N247-S249 PolarHBondContact ND2-OG 3.29Å; N247-S249 PolarHBondContact O-N 3.23Å; N247-S249 PolarHBondContact OD1-OG 2.8Å; N247-M250 PolarHBondContact O-N 3.25Å; N247-M250 WeakPolarHBondContact OD1-CB 3.36Å; N247-M250 VanDerWaalsContact OD1-CG 3.25Å; N247-M250 WeakPolarHBondContact OD1-CG 3.36Å; N247-M250 PolarHBondContact OD1-N 3.4Å; N247-L251 VanDerWaalsContact O-CG 3.31Å; N247-L251 WeakPolarHBondContact O-CG 3.38Å; N247-L251 PolarHBondContact O-N 3.23Å |
| 248 | S | 88.8 | Confident | 86.7 | Confident | 33 Ų | 33 | 76.9 Ų | 76.9 | 23% | 0.231 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -52.4 | -39.2 | -179 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | L223 L229 M250 L251 | L223-S248 VanDerWaalsContact CD1-CB 3.48Å; L229-S248 PolarHBondContact O-N 2.97Å; S248-M250 VanDerWaalsContact C-N 3.29Å; S248-M250 PolarHBondContact O-N 3.39Å; S248-L251 PolarHBondContact O-N 3.42Å |
| 249 | S | 89.3 | Confident | 88 | Confident | 102 Ų | 102 | 70.6 Ų | 70.6 | 71% | 0.713 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -75.1 | -13.4 | 179.7 | 64.9 | 0 | 0 | 0 | 0 | 114.8 | N247 | N247-S249 VanDerWaalsContact C-N 3.27Å; N247-S249 PolarHBondContact ND2-OG 3.29Å; N247-S249 PolarHBondContact O-N 3.23Å; N247-S249 PolarHBondContact OD1-OG 2.8Å |
| 250 | M | 90.8 | Very high | 89 | Confident | 118 Ų | 118 | 69.4 Ų | 69.4 | 58% | 0.581 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -98.8 | -3.5 | 174.2 | -69.8 | 177.4 | 62.9 | 0 | 0 | 113.2 | A246 N247 S248 | A246-M250 HydrophobicContact CB-CB 4.01Å; N247-M250 PolarHBondContact O-N 3.25Å; N247-M250 WeakPolarHBondContact OD1-CB 3.36Å; N247-M250 VanDerWaalsContact OD1-CG 3.25Å; N247-M250 WeakPolarHBondContact OD1-CG 3.36Å; N247-M250 PolarHBondContact OD1-N 3.4Å; S248-M250 VanDerWaalsContact C-N 3.29Å; S248-M250 PolarHBondContact O-N 3.39Å |
| 251 | L | 90.6 | Very high | 89.4 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | trans | -110.1 | 110.3 | -176.6 | -65.8 | 167 | 0 | 0 | 0 | 109.9 | V218 L221 L229 V231 A246 N247 S248 Q255 L257 | V218-L251 HydrophobicContact CG2-CB 4.44Å; V218-L251 HydrophobicContact CG2-CD2 3.95Å; L221-L251 HydrophobicContact CD1-CB 3.56Å; L221-L251 HydrophobicContact CD1-CD1 4.39Å; L229-L251 HydrophobicContact CD2-CD1 3.95Å; L229-L251 HydrophobicContact CG-CD1 4.27Å; V231-L251 HydrophobicContact CG2-CD1 3.91Å; A246-L251 HydrophobicContact CB-CD1 4.39Å; A246-L251 HydrophobicContact CB-CD2 3.87Å; A246-L251 HydrophobicContact CB-CG 3.95Å; N247-L251 VanDerWaalsContact O-CG 3.31Å; N247-L251 WeakPolarHBondContact O-CG 3.38Å; N247-L251 PolarHBondContact O-N 3.23Å; S248-L251 PolarHBondContact O-N 3.42Å; L251-Q255 HydrophobicContact CD2-CG 4.47Å; L251-L257 HydrophobicContact CD2-CD1 3.5Å; L251-L257 HydrophobicContact CD2-CD2 4.19Å; L251-L257 HydrophobicContact CD2-CG 4.43Å | ||
| 252 | G | 90.2 | Very high | 89.5 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 36% | 0.361 | 36% | 0.359 | S | S | . | . | trans | -108.1 | 166.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V218 G254 Q255 | V218-G252 WeakPolarHBondContact CB-O 3.38Å; V218-G252 WeakPolarHBondContact CG1-O 3.03Å; G252-G254 PolarHBondContact O-N 3.01Å; G252-Q255 WeakPolarHBondContact O-CB 3.44Å; G252-Q255 PolarHBondContact O-N 2.74Å | ||
| 253 | E | 91.3 | Very high | 88.7 | Confident | 130 Ų | 130 | 75.8 Ų | 75.8 | 61% | 0.607 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 136 | 171.3 | -59.4 | -169.6 | 148.7 | 0 | 0 | 111 | T220 Q255 | T220-E253 WeakPolarHBondContact CA-OE1 3.36Å; T220-E253 WeakPolarHBondContact CG2-OE1 3.35Å; E253-Q255 PolarHBondContact O-N 2.98Å |
| 254 | G | 89.3 | Confident | 88.6 | Confident | 45 Ų | 45 | 71 Ų | 71 | 46% | 0.464 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -4.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V218 G252 V256 | V218-G254 VanDerWaalsContact O-CA 3.29Å; V218-G254 WeakPolarHBondContact O-CA 3.4Å; V218-G254 PolarHBondContact O-N 3.03Å; G252-G254 PolarHBondContact O-N 3.01Å; G254-V256 PolarHBondContact O-N 3.16Å |
| 255 | Q | 92.3 | Very high | 88.4 | Confident | 89 Ų | 89 | 70.1 Ų | 70.1 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | trans | -63.4 | 133.3 | 178.2 | -175.1 | 66.5 | 59.3 | 0 | 0 | 110.7 | V218 L251 G252 E253 L257 | V218-Q255 HydrophobicContact CB-CB 4.38Å; V218-Q255 HydrophobicContact CG2-CB 4.19Å; V218-Q255 PolarHBondContact N-O 2.8Å; L251-Q255 HydrophobicContact CD2-CG 4.47Å; G252-Q255 WeakPolarHBondContact O-CB 3.44Å; G252-Q255 PolarHBondContact O-N 2.74Å; E253-Q255 PolarHBondContact O-N 2.98Å; Q255-L257 HydrophobicContact CG-CD1 4.1Å | ||
| 256 | V | 92.9 | Very high | 88.2 | Confident | 53 Ų | 53 | 71.9 Ų | 71.9 | 32% | 0.321 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.4 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | E215 I216 Q217 G254 | E215-V256 VanDerWaalsContact CD-CG1 3.4Å; E215-V256 HydrophobicContact CG-CG1 3.4Å; E215-V256 VanDerWaalsContact CG-CG1 3.4Å; I216-V256 CarbonylContact O-C 3.23Å; I216-V256 WeakPolarHBondContact O-CA 3.49Å; Q217-V256 HydrophobicContact CB-CG2 4.45Å; Q217-V256 HydrophobicContact CG-CG2 4.18Å; G254-V256 PolarHBondContact O-N 3.16Å |
| 257 | L | 92.2 | Very high | 87.9 | Confident | 21 Ų | 21 | 76 Ų | 76 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141 | 171.5 | -111.5 | 73 | 0 | 0 | 0 | 110.4 | E215 I216 V231 L245 A246 L251 Q255 | E215-L257 CarbonylContact C-O 3.58Å; E215-L257 WeakPolarHBondContact CA-O 3.39Å; I216-L257 HydrophobicContact CB-CB 4.3Å; I216-L257 PolarHBondContact N-O 3.19Å; I216-L257 PolarHBondContact O-N 2.89Å; V231-L257 HydrophobicContact CB-CD2 3.85Å; V231-L257 HydrophobicContact CG1-CD2 3.74Å; V231-L257 HydrophobicContact CG2-CD2 4.15Å; L245-L257 HydrophobicContact CB-CD2 3.89Å; A246-L257 HydrophobicContact CB-CD1 4.05Å; A246-L257 HydrophobicContact CB-CD2 3.66Å; A246-L257 HydrophobicContact CB-CG 4.37Å; L251-L257 HydrophobicContact CD2-CD1 3.5Å; L251-L257 HydrophobicContact CD2-CD2 4.19Å; L251-L257 HydrophobicContact CD2-CG 4.43Å; Q255-L257 HydrophobicContact CG-CD1 4.1Å |
| 258 | R | 91.3 | Very high | 87.6 | Confident | 140 Ų | 140 | 78.5 Ų | 78.5 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.8 | 177.4 | -72.6 | -178.8 | 176.1 | -175.8 | -4.9 | 110.6 | E215 N262 | E215-R258 HydrophobicContact CG-CG 4.22Å; E215-R258 IonicContact OE2-CZ 3.13Å; E215-R258 IonicContact OE2-NE 2.67Å; E215-R258 PolarHBondContact OE2-NE 2.84Å; E215-R258 IonicContact OE2-NH2 2.75Å; E215-R258 PolarHBondContact OE2-NH2 2.79Å; R258-N262 HydrophobicContact CB-CB 4.23Å |
| 259 | S | 88.5 | Confident | 87.6 | Confident | 5 Ų | 5 | 81.5 Ų | 81.5 | 4% | 0.035 | 43% | 0.427 | C | S | . | . | trans | -62.4 | 151.3 | 170.1 | 66.4 | 0 | 0 | 0 | 0 | 110.2 | I214 T261 N262 | I214-S259 PolarHBondContact N-OG 2.86Å; I214-S259 PolarHBondContact O-N 3.01Å; I214-S259 PolarHBondContact O-OG 3.04Å; S259-T261 WeakPolarHBondContact CB-OG1 3.37Å; S259-T261 PolarHBondContact O-N 2.89Å; S259-T261 PolarHBondContact OG-OG1 2.83Å; S259-N262 PolarHBondContact O-N 3.05Å | ||
| 260 | P | 85.2 | Confident | 87.4 | Confident | 63 Ų | 63 | 80.1 Ų | 80.1 | 41% | 0.409 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -13.5 | 179.9 | -26.3 | 35.7 | 0 | 0 | 0 | 115.4 | A233 L245 | A233-P260 HydrophobicContact CB-CG 3.94Å; L245-P260 HydrophobicContact CD2-CG 3.9Å |
| 261 | T | 80.3 | Confident | 87.2 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -17.1 | 178.5 | 44.7 | 0 | 0 | 0 | 0 | 113.8 | Q13 S259 | Q13-T261 VanDerWaalsContact CD-CB 3.48Å; Q13-T261 HydrophobicContact CG-CG2 4.18Å; Q13-T261 VanDerWaalsContact OE1-CB 3.26Å; Q13-T261 PolarHBondContact OE1-OG1 3.01Å; S259-T261 WeakPolarHBondContact CB-OG1 3.37Å; S259-T261 PolarHBondContact O-N 2.89Å; S259-T261 PolarHBondContact OG-OG1 2.83Å |
| 262 | N | 80.8 | Confident | 86.9 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 26% | 0.257 | 42% | 0.421 | S | S | . | . | trans | -88.8 | 105.8 | 171.9 | -169.1 | -59.3 | 0 | 0 | 0 | 107.6 | R258 S259 | R258-N262 HydrophobicContact CB-CB 4.23Å; S259-N262 PolarHBondContact O-N 3.05Å | ||
| 263 | R | 68.7 | Low | 86.6 | Confident | 287 Ų | 287 | 86.9 Ų | 86.9 | 100% | 1.083 | 43% | 0.426 | S | S | * | . | trans | -128 | 0 | -171.6 | -94.9 | -171.3 | 169.6 | -93.7 | 1 | 112.2 |
Retrieved 263 of 263 residues in 54.4 ms
(Link to these results)