| 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 | 39.1 | Very low | 46 | Very low | 236 Ų | 236 | 164.8 Ų | 164.8 | 100% | 1.163 | 80% | 0.796 | S | S | * | * | 0 | 81.2 | 0 | -61 | -177.1 | -68 | 0 | 0 | 109.5 | |||||
| 2 | K | 47.3 | Very low | 46 | Very low | 199 Ų | 199 | 163.8 Ų | 163.8 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | 169.9 | 127.8 | 168.5 | -96.9 | 152.3 | -178.7 | -173.5 | 0 | 104.7 | ||||
| 3 | N | 47.7 | Very low | 46.8 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 102.5 | 18.9 | 171.9 | -51.2 | 11.4 | 0 | 0 | 0 | 119.2 | ||
| 4 | L | 46.7 | Very low | 47.6 | Very low | 164 Ų | 164 | 147.7 Ų | 147.7 | 86% | 0.859 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -104.5 | 1.8 | 178.2 | -111.8 | 154.4 | 0 | 0 | 0 | 116.9 | ||
| 5 | L | 46.2 | Very low | 49 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 92% | 0.921 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -139.6 | 8.6 | -174 | -76.7 | 177.2 | 0 | 0 | 0 | 117.7 | ||
| 6 | M | 43.2 | Very low | 50.7 | Low | 161 Ų | 161 | 135.2 Ų | 135.2 | 79% | 0.793 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -114.8 | 122.4 | 172.3 | -88 | -146.7 | -151.1 | 0 | 0 | 110.1 | ||
| 7 | F | 43 | Very low | 52.1 | Low | 179 Ų | 179 | 135.4 Ų | 135.4 | 79% | 0.785 | 66% | 0.659 | S | S | * | * | trans | 83 | 59.3 | 167.9 | -49.8 | -74.7 | 0 | 0 | 0 | 117.8 | ||||
| 8 | Y | 49.6 | Very low | 53.5 | Low | 171 Ų | 171 | 136.4 Ų | 136.4 | 67% | 0.671 | 66% | 0.663 | S | S | * | * | trans | -93.3 | -0 | 154.8 | -146.2 | -93.5 | 0 | 0 | 0 | 113.4 | ||||
| 9 | I | 47.3 | Very low | 54.8 | Low | 143 Ų | 143 | 134.8 Ų | 134.8 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | trans | -104.6 | 89.4 | 175.9 | -47 | 169 | 0 | 0 | 0 | 106.8 | P11 | I9-P11 VanDerWaalsContact O-CD 3.27Å; I9-P11 WeakPolarHBondContact O-CD 3.14Å | ||
| 10 | K | 44.7 | Very low | 56 | Low | 160 Ų | 160 | 133.8 Ų | 133.8 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | trans | -100.4 | 96.8 | 162.5 | -170.4 | 163.7 | -178.1 | 167 | 0 | 107.3 | F12 | K10-F12 HydrophobicContact CG-CD2 3.99Å; K10-F12 PolarHBondContact O-N 3.03Å; K10-F12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | P | 50.9 | Low | 57.2 | Low | 59 Ų | 59 | 128.8 Ų | 128.8 | 38% | 0.383 | 64% | 0.641 | S | S | . | * | trans | -84.9 | 85.5 | 178.3 | 33.3 | -29.7 | 0 | 0 | 0 | 108.4 | I9 T36 | I9-P11 VanDerWaalsContact O-CD 3.27Å; I9-P11 WeakPolarHBondContact O-CD 3.14Å; P11-T36 HydrophobicContact CB-CG2 3.67Å | ||
| 12 | F | 46.2 | Very low | 58.9 | Low | 152 Ų | 152 | 119.6 Ų | 119.6 | 67% | 0.667 | 61% | 0.606 | S | S | * | * | trans | -113.7 | 57.2 | 158.7 | -86.3 | -84.3 | 0 | 0 | 0 | 108.1 | K10 | K10-F12 HydrophobicContact CG-CD2 3.99Å; K10-F12 PolarHBondContact O-N 3.03Å; K10-F12 VanDerWaalsContact O-N 3.13Å | ||
| 13 | T | 56.3 | Low | 60.4 | Low | 22 Ų | 22 | 114.8 Ų | 114.8 | 14% | 0.135 | 60% | 0.598 | C | S | . | * | S | Bend | trans | -94.6 | 148.1 | 161.3 | 40.9 | 0 | 0 | 0 | 0 | 109 | C37 L54 | T13-C37 HydrophobicContact CG2-CB 4.14Å; T13-C37 PolarHBondContact OG1-N 3.4Å; T13-C37 PolarHBondContact OG1-O 2.81Å; T13-C37 VanDerWaalsContact OG1-O 3.05Å; T13-L54 HydrophobicContact CG2-CB 4.36Å; T13-L54 HydrophobicContact CG2-CD1 3.71Å; T13-L54 HydrophobicContact CG2-CD2 3.54Å; T13-L54 HydrophobicContact CG2-CG 4.05Å |
| 14 | P | 58.6 | Low | 61.8 | Low | 81 Ų | 81 | 110.7 Ų | 110.7 | 53% | 0.526 | 58% | 0.576 | S | S | . | * | trans | -56.4 | 146.7 | 178.2 | 24.3 | -33.8 | 0 | 0 | 0 | 110.5 | C16 | P14-C16 PolarHBondContact O-N 3.03Š| ||
| 15 | D | 68.1 | Low | 63.5 | Low | 79 Ų | 79 | 104.2 Ų | 104.2 | 42% | 0.422 | 54% | 0.542 | S | S | . | . | trans | -54.3 | 107.2 | 177.9 | -170.1 | -9.1 | 0 | 0 | 0 | 109.5 | K17 H18 F35 | D15-K17 PolarHBondContact O-N 2.95Å; D15-K17 WeakPolarHBondContact OD1-CB 3.32Å; D15-K17 PolarHBondContact OD1-N 3Å; D15-H18 PolarHBondContact O-N 2.84Å; D15-F35 WeakPolarHBondContact OD1-CB 3.45Å | ||
| 16 | C | 76.8 | Confident | 65.3 | Low | 16 Ų | 16 | 102.2 Ų | 102.2 | 11% | 0.108 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 8.2 | -176.4 | 55.5 | 0 | 0 | 0 | 0 | 113.4 | P14 H18 I19 C27 F35 T36 C37 | P14-C16 PolarHBondContact O-N 3.03Å; C16-H18 VanDerWaalsContact C-N 3.3Å; C16-I19 VanDerWaalsContact CA-O 3.31Å; C16-I19 WeakPolarHBondContact CA-O 3.36Å; C16-C27 HydrophobicContact CB-CB 3.73Å; C16-C27 WeakPolarHBondContact CB-SG 3.43Å; C16-C27 VanDerWaalsContact SG-CA 3.51Å; C16-C27 WeakPolarHBondContact SG-CB 3.29Å; C16-C27 CovalentContact SG-SG 2.03Å; C16-C27 PolarHBondContact SG-SG 3.28Å; C16-F35 VanDerWaalsContact SG-C 3.52Å; C16-T36 VanDerWaalsContact SG-C 3.51Å; C16-T36 PolarHBondContact SG-N 3.28Å; C16-T36 VanDerWaalsContact SG-N 3.44Å; C16-C37 VanDerWaalsContact CB-SG 3.53Å |
| 17 | K | 74.4 | Confident | 67.4 | Low | 138 Ų | 138 | 97.3 Ų | 97.3 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.5 | 168.1 | -171.9 | 179.3 | -179.8 | -169.4 | 0 | 113 | D15 F35 | D15-K17 PolarHBondContact O-N 2.95Å; D15-K17 WeakPolarHBondContact OD1-CB 3.32Å; D15-K17 PolarHBondContact OD1-N 3Å; K17-F35 HydrophobicContact CB-CD2 4.16Å; K17-F35 HydrophobicContact CD-CD2 4.47Å; K17-F35 HydrophobicContact CD-CE2 4.46Å |
| 18 | H | 76.7 | Confident | 69.5 | Low | 155 Ų | 155 | 91.7 Ų | 91.7 | 72% | 0.718 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -21 | -175.9 | -64.1 | -67.6 | 0 | 0 | 0 | 114 | D15 C16 | D15-H18 PolarHBondContact O-N 2.84Å; C16-H18 VanDerWaalsContact C-N 3.3Å |
| 19 | I | 78.7 | Confident | 71.2 | Confident | 105 Ų | 105 | 90.4 Ų | 90.4 | 54% | 0.538 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -124.2 | 128.8 | -176.9 | -61.7 | 167.1 | 0 | 0 | 0 | 108.6 | C16 | C16-I19 VanDerWaalsContact CA-O 3.31Å; C16-I19 WeakPolarHBondContact CA-O 3.36Å |
| 20 | S | 78.3 | Confident | 72.9 | Confident | 114 Ų | 114 | 85.6 Ų | 85.6 | 80% | 0.797 | 46% | 0.462 | S | S | * | . | trans | -64.6 | 136 | 174.1 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 21 | C | 80.5 | Confident | 74.6 | Confident | 30 Ų | 30 | 87.2 Ų | 87.2 | 20% | 0.203 | 48% | 0.477 | C | S | . | . | trans | -62.8 | 156 | 173.5 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | Q25 C37 | C21-Q25 HydrophobicContact CB-CB 3.6Å; C21-C37 VanDerWaalsContact CA-SG 3.5Å; C21-C37 HydrophobicContact CB-CB 3.82Å; C21-C37 WeakPolarHBondContact CB-SG 3.26Å; C21-C37 VanDerWaalsContact SG-CA 3.56Å; C21-C37 WeakPolarHBondContact SG-CB 3.49Å; C21-C37 CovalentContact SG-SG 2.04Å; C21-C37 PolarHBondContact SG-SG 3.41Å | ||
| 22 | G | 76.7 | Confident | 76.1 | Confident | 42 Ų | 42 | 88.1 Ų | 88.1 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | trans | -69.4 | -177.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q25 | G22-Q25 WeakPolarHBondContact O-CB 3.43Å; G22-Q25 PolarHBondContact O-N 3.23Å | ||
| 23 | S | 77.8 | Confident | 77.7 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 69% | 0.685 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 138.6 | 175.5 | 58.4 | 0 | 0 | 0 | 0 | 111.6 | Q25 | S23-Q25 VanDerWaalsContact C-N 3.27Å; S23-Q25 PolarHBondContact O-N 2.84Å |
| 24 | N | 77.4 | Confident | 79 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 43% | 0.428 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 29 | -178 | -53.4 | -47.6 | 0 | 0 | 0 | 114.2 | S40 F43 C56 | N24-S40 PolarHBondContact O-N 3.27Å; N24-S40 PolarHBondContact O-OG 3.15Å; N24-F43 HydrophobicContact CB-CD1 4.08Å; N24-F43 HydrophobicContact CB-CD2 4.34Å; N24-F43 HydrophobicContact CB-CE1 4.16Å; N24-F43 HydrophobicContact CB-CE2 4.41Å; N24-F43 HydrophobicContact CB-CG 4.17Å; N24-F43 HydrophobicContact CB-CZ 4.32Å; N24-C56 HydrophobicContact CB-CB 4.46Å |
| 25 | Q | 82.1 | Confident | 80.1 | Confident | 28 Ų | 28 | 85.6 Ų | 85.6 | 13% | 0.131 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.2 | 174.4 | -65.7 | 170.3 | 6.9 | 0 | 0 | 111.2 | C21 G22 S23 V38 L54 C56 | C21-Q25 HydrophobicContact CB-CB 3.6Å; G22-Q25 WeakPolarHBondContact O-CB 3.43Å; G22-Q25 PolarHBondContact O-N 3.23Å; S23-Q25 VanDerWaalsContact C-N 3.27Å; S23-Q25 PolarHBondContact O-N 2.84Å; Q25-V38 CarbonylContact C-O 3.52Å; Q25-V38 WeakPolarHBondContact CA-O 3.42Å; Q25-L54 PolarHBondContact NE2-O 2.78Å; Q25-C56 HydrophobicContact CG-CB 4.36Å; Q25-C56 WeakPolarHBondContact CG-SG 3.31Å; Q25-C56 PolarHBondContact NE2-SG 3.48Å |
| 26 | H | 85 | Confident | 80.7 | Confident | 133 Ų | 133 | 82.4 Ų | 82.4 | 62% | 0.616 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.9 | 171.2 | -77.6 | -85.5 | 0 | 0 | 0 | 111 | V38 | H26-V38 PolarHBondContact N-O 3.45Å; H26-V38 WeakPolarHBondContact O-CG2 3.42Å; H26-V38 PolarHBondContact O-N 2.85Å |
| 27 | C | 86 | Confident | 80.9 | Confident | 59 Ų | 59 | 82 Ų | 82 | 40% | 0.399 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 123.3 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 109.4 | C16 | C16-C27 HydrophobicContact CB-CB 3.73Å; C16-C27 WeakPolarHBondContact CB-SG 3.43Å; C16-C27 VanDerWaalsContact SG-CA 3.51Å; C16-C27 WeakPolarHBondContact SG-CB 3.29Å; C16-C27 CovalentContact SG-SG 2.03Å; C16-C27 PolarHBondContact SG-SG 3.28Å |
| 28 | V | 87.2 | Confident | 81.2 | Confident | 61 Ų | 61 | 78 Ų | 78 | 37% | 0.37 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.6 | 176.9 | -62.1 | 0 | 0 | 0 | 0 | 110.2 | T36 V38 | V28-T36 PolarHBondContact N-O 2.98Å; V28-T36 PolarHBondContact O-N 3.06Å; V28-V38 HydrophobicContact CB-CG2 4.44Å; V28-V38 HydrophobicContact CG1-CG2 3.86Å; V28-V38 HydrophobicContact CG2-CB 4.31Å; V28-V38 HydrophobicContact CG2-CG1 3.61Å; V28-V38 HydrophobicContact CG2-CG2 3.7Å |
| 29 | K | 85.9 | Confident | 81.5 | Confident | 143 Ų | 143 | 72 Ų | 72 | 62% | 0.622 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.6 | 172.2 | -173.4 | 177.7 | 180 | -179.6 | 0 | 108.7 | F35 | K29-F35 HydrophobicContact CB-CD1 4.12Å; K29-F35 HydrophobicContact CB-CE1 4.03Å; K29-F35 HydrophobicContact CD-CE1 4.3Å; K29-F35 HydrophobicContact CD-CZ 4.24Å; K29-F35 HydrophobicContact CG-CE1 4.29Å |
| 30 | N | 82.3 | Confident | 81.7 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | trans | -80 | 171 | 176.8 | 69.1 | 26 | 0 | 0 | 0 | 111.8 | A32 G33 N34 | N30-A32 PolarHBondContact O-N 3.37Å; N30-A32 WeakPolarHBondContact OD1-CB 3.31Å; N30-A32 PolarHBondContact OD1-N 3.09Å; N30-A32 VanDerWaalsContact OD1-N 3.15Å; N30-G33 PolarHBondContact O-N 3.38Å; N30-G33 PolarHBondContact OD1-N 3.24Å; N30-G33 VanDerWaalsContact OD1-N 3.13Å; N30-N34 PolarHBondContact N-O 3.4Å; N30-N34 PolarHBondContact OD1-N 3.41Å; N30-N34 PolarHBondContact OD1-O 3.32Å | ||
| 31 | L | 81.4 | Confident | 81.7 | Confident | 194 Ų | 194 | 68.4 Ų | 68.4 | 100% | 1.016 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.2 | -177.6 | -142.9 | 75.5 | 0 | 0 | 0 | 113.2 | G33 | L31-G33 PolarHBondContact O-N 3.49Š|
| 32 | A | 82.6 | Confident | 81.4 | Confident | 78 Ų | 78 | 73.8 Ų | 73.8 | 65% | 0.645 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -5.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N30 | N30-A32 PolarHBondContact O-N 3.37Å; N30-A32 WeakPolarHBondContact OD1-CB 3.31Å; N30-A32 PolarHBondContact OD1-N 3.09Å; N30-A32 VanDerWaalsContact OD1-N 3.15Å |
| 33 | G | 80.1 | Confident | 81.4 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 87.2 | 2.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N30 L31 | N30-G33 PolarHBondContact O-N 3.38Å; N30-G33 PolarHBondContact OD1-N 3.24Å; N30-G33 VanDerWaalsContact OD1-N 3.13Å; L31-G33 PolarHBondContact O-N 3.49Å |
| 34 | N | 82 | Confident | 81.2 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | trans | -85.4 | 144.6 | 178.4 | -51.7 | -27.5 | 0 | 0 | 0 | 110 | N30 | N30-N34 PolarHBondContact N-O 3.4Å; N30-N34 PolarHBondContact OD1-N 3.41Å; N30-N34 PolarHBondContact OD1-O 3.32Å | ||
| 35 | F | 82.8 | Confident | 80.9 | Confident | 74 Ų | 74 | 69.4 Ų | 69.4 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.2 | 175.1 | -62.8 | -90.6 | 0 | 0 | 0 | 109.3 | D15 C16 K17 K29 | D15-F35 WeakPolarHBondContact OD1-CB 3.45Å; C16-F35 VanDerWaalsContact SG-C 3.52Å; K17-F35 HydrophobicContact CB-CD2 4.16Å; K17-F35 HydrophobicContact CD-CD2 4.47Å; K17-F35 HydrophobicContact CD-CE2 4.46Å; K29-F35 HydrophobicContact CB-CD1 4.12Å; K29-F35 HydrophobicContact CB-CE1 4.03Å; K29-F35 HydrophobicContact CD-CE1 4.3Å; K29-F35 HydrophobicContact CD-CZ 4.24Å; K29-F35 HydrophobicContact CG-CE1 4.29Å |
| 36 | T | 80.2 | Confident | 80.2 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 7% | 0.074 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.4 | -175.1 | 57.5 | 0 | 0 | 0 | 0 | 109.7 | P11 C16 V28 | P11-T36 HydrophobicContact CB-CG2 3.67Å; C16-T36 VanDerWaalsContact SG-C 3.51Å; C16-T36 PolarHBondContact SG-N 3.28Å; C16-T36 VanDerWaalsContact SG-N 3.44Å; V28-T36 PolarHBondContact N-O 2.98Å; V28-T36 PolarHBondContact O-N 3.06Å |
| 37 | C | 80.3 | Confident | 79.3 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 6% | 0.061 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.7 | 169.7 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | T13 C16 C21 | T13-C37 HydrophobicContact CG2-CB 4.14Å; T13-C37 PolarHBondContact OG1-N 3.4Å; T13-C37 PolarHBondContact OG1-O 2.81Å; T13-C37 VanDerWaalsContact OG1-O 3.05Å; C16-C37 VanDerWaalsContact CB-SG 3.53Å; C21-C37 VanDerWaalsContact CA-SG 3.5Å; C21-C37 HydrophobicContact CB-CB 3.82Å; C21-C37 WeakPolarHBondContact CB-SG 3.26Å; C21-C37 VanDerWaalsContact SG-CA 3.56Å; C21-C37 WeakPolarHBondContact SG-CB 3.49Å; C21-C37 CovalentContact SG-SG 2.04Å; C21-C37 PolarHBondContact SG-SG 3.41Å |
| 38 | V | 81.7 | Confident | 78.2 | Confident | 53 Ų | 53 | 75 Ų | 75 | 32% | 0.321 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145.3 | 171.9 | -64.8 | 0 | 0 | 0 | 0 | 109.9 | Q25 H26 V28 | Q25-V38 CarbonylContact C-O 3.52Å; Q25-V38 WeakPolarHBondContact CA-O 3.42Å; H26-V38 PolarHBondContact N-O 3.45Å; H26-V38 WeakPolarHBondContact O-CG2 3.42Å; H26-V38 PolarHBondContact O-N 2.85Å; V28-V38 HydrophobicContact CB-CG2 4.44Å; V28-V38 HydrophobicContact CG1-CG2 3.86Å; V28-V38 HydrophobicContact CG2-CB 4.31Å; V28-V38 HydrophobicContact CG2-CG1 3.61Å; V28-V38 HydrophobicContact CG2-CG2 3.7Å |
| 39 | C | 83.2 | Confident | 77 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 19% | 0.189 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 147.5 | 171.5 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | F43 C56 | C39-F43 HydrophobicContact CB-CB 3.97Å; C39-F43 VanDerWaalsContact CB-O 3.3Å; C39-F43 WeakPolarHBondContact CB-O 3.48Å; C39-C56 WeakPolarHBondContact CA-SG 3.29Å; C39-C56 HydrophobicContact CB-CB 3.87Å; C39-C56 WeakPolarHBondContact CB-SG 3.24Å; C39-C56 WeakPolarHBondContact SG-CB 3.37Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 2.89Å |
| 40 | S | 82.4 | Confident | 75.7 | Confident | 28 Ų | 28 | 74.1 Ų | 74.1 | 20% | 0.196 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 164.1 | 170.4 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | N24 F42 F43 | N24-S40 PolarHBondContact O-N 3.27Å; N24-S40 PolarHBondContact O-OG 3.15Å; S40-F42 PolarHBondContact O-N 2.88Å; S40-F43 PolarHBondContact O-N 3.41Å; S40-F43 WeakPolarHBondContact OG-CD2 3.31Å |
| 41 | V | 77.2 | Confident | 74.3 | Confident | 117 Ų | 117 | 77.1 Ų | 77.1 | 71% | 0.709 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 137.3 | 177.3 | -68.4 | 0 | 0 | 0 | 0 | 111 | F43 | V41-F43 VanDerWaalsContact O-CD2 3.31Å; V41-F43 WeakPolarHBondContact O-CD2 3.24Å; V41-F43 PolarHBondContact O-N 3.42Å |
| 42 | F | 75.3 | Confident | 73.2 | Confident | 142 Ų | 142 | 70.6 Ų | 70.6 | 62% | 0.623 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -7.9 | -174.5 | -47.4 | -73.7 | 0 | 0 | 0 | 117.4 | S40 F58 T62 | S40-F42 PolarHBondContact O-N 2.88Å; F42-F58 HydrophobicContact CB-CD2 4.2Å; F42-F58 HydrophobicContact CB-CE2 3.87Å; F42-T62 HydrophobicContact CD1-CG2 4.44Å |
| 43 | F | 75.8 | Confident | 72.2 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 27% | 0.272 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.6 | 174.4 | -63.9 | -98 | 0 | 0 | 0 | 110.3 | N24 C39 S40 V41 C56 R57 | N24-F43 HydrophobicContact CB-CD1 4.08Å; N24-F43 HydrophobicContact CB-CD2 4.34Å; N24-F43 HydrophobicContact CB-CE1 4.16Å; N24-F43 HydrophobicContact CB-CE2 4.41Å; N24-F43 HydrophobicContact CB-CG 4.17Å; N24-F43 HydrophobicContact CB-CZ 4.32Å; C39-F43 HydrophobicContact CB-CB 3.97Å; C39-F43 VanDerWaalsContact CB-O 3.3Å; C39-F43 WeakPolarHBondContact CB-O 3.48Å; S40-F43 PolarHBondContact O-N 3.41Å; S40-F43 WeakPolarHBondContact OG-CD2 3.31Å; V41-F43 VanDerWaalsContact O-CD2 3.31Å; V41-F43 WeakPolarHBondContact O-CD2 3.24Å; V41-F43 PolarHBondContact O-N 3.42Å; F43-C56 HydrophobicContact CB-CB 3.99Å; F43-C56 WeakPolarHBondContact CD1-O 3.45Å; F43-R57 WeakPolarHBondContact CA-O 3.48Å |
| 44 | A | 75.1 | Confident | 71.4 | Confident | 32 Ų | 32 | 72.6 Ų | 72.6 | 26% | 0.264 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | E46 R57 | A44-E46 PolarHBondContact O-N 3.22Å; A44-R57 PolarHBondContact N-O 2.88Å; A44-R57 PolarHBondContact O-N 2.91Å |
| 45 | P | 71.1 | Confident | 70.7 | Confident | 35 Ų | 35 | 71.7 Ų | 71.7 | 23% | 0.227 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128.8 | 169.4 | 28.5 | -32.5 | 0 | 0 | 0 | 109.4 | L54 | P45-L54 HydrophobicContact CB-CD2 4.31Å; P45-L54 HydrophobicContact CB-CG 4.22Å |
| 46 | E | 66.8 | Low | 70.3 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -72.3 | -42.2 | 175.6 | -175.1 | 175.1 | 168.3 | 0 | 0 | 111.4 | A44 | A44-E46 PolarHBondContact O-N 3.22Š|
| 47 | N | 64.9 | Low | 70.2 | Confident | 75 Ų | 75 | 75 Ų | 75 | 40% | 0.401 | 41% | 0.414 | S | S | . | . | trans | -110 | 130.7 | 179.8 | -61.3 | -61.7 | 0 | 0 | 0 | 109.8 | D49 | N47-D49 PolarHBondContact O-N 3.39Š| ||
| 48 | L | 63.6 | Low | 70.1 | Confident | 126 Ų | 126 | 78.9 Ų | 78.9 | 66% | 0.66 | 43% | 0.43 | S | S | * | . | trans | -82.5 | 4 | 170.6 | -84.5 | 75.6 | 0 | 0 | 0 | 112 | ||||
| 49 | D | 63.2 | Low | 70.1 | Confident | 92 Ų | 92 | 77.7 Ų | 77.7 | 49% | 0.492 | 42% | 0.424 | S | S | . | . | trans | -70.9 | 123.4 | -177.8 | -72.6 | -37.6 | 0 | 0 | 0 | 110.7 | N47 S51 V52 | N47-D49 PolarHBondContact O-N 3.39Å; D49-S51 PolarHBondContact O-N 3.43Å; D49-V52 HydrophobicContact CB-CG2 4Å; D49-V52 PolarHBondContact O-N 2.87Å | ||
| 50 | P | 57.3 | Low | 70.2 | Confident | 93 Ų | 93 | 87 Ų | 87 | 60% | 0.604 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.6 | -177.7 | 29.8 | -36.3 | 0 | 0 | 0 | 113.2 | ||
| 51 | S | 53.9 | Low | 70.4 | Confident | 106 Ų | 106 | 90.8 Ų | 90.8 | 74% | 0.741 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -10.5 | -177.7 | 42.6 | 0 | 0 | 0 | 0 | 113.8 | D49 | D49-S51 PolarHBondContact O-N 3.43Š|
| 52 | V | 58.2 | Low | 70.8 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 35% | 0.345 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -104.6 | 136.3 | -177.7 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | D49 L54 | D49-V52 HydrophobicContact CB-CG2 4Å; D49-V52 PolarHBondContact O-N 2.87Å; V52-L54 PolarHBondContact O-N 3.28Å |
| 53 | P | 60.9 | Low | 71.5 | Confident | 100 Ų | 100 | 84.6 Ų | 84.6 | 65% | 0.649 | 45% | 0.448 | S | S | * | . | trans | -52.8 | 133.1 | 172 | 22.9 | -33.8 | 0 | 0 | 0 | 109.5 | D55 | P53-D55 PolarHBondContact O-N 3.29Š| ||
| 54 | L | 62.7 | Low | 72.3 | Confident | 50 Ų | 50 | 86.8 Ų | 86.8 | 26% | 0.262 | 46% | 0.462 | S | S | . | . | trans | -61.4 | 100.7 | 176.1 | -100.8 | 73.6 | 0 | 0 | 0 | 109 | T13 Q25 P45 V52 C56 | T13-L54 HydrophobicContact CG2-CB 4.36Å; T13-L54 HydrophobicContact CG2-CD1 3.71Å; T13-L54 HydrophobicContact CG2-CD2 3.54Å; T13-L54 HydrophobicContact CG2-CG 4.05Å; Q25-L54 PolarHBondContact NE2-O 2.78Å; P45-L54 HydrophobicContact CB-CD2 4.31Å; P45-L54 HydrophobicContact CB-CG 4.22Å; V52-L54 PolarHBondContact O-N 3.28Å; L54-C56 PolarHBondContact O-N 3.29Å | ||
| 55 | D | 68.4 | Low | 73.1 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 42% | 0.422 | 47% | 0.472 | S | S | . | . | trans | -82.4 | 99.3 | 167.4 | -79.7 | -40.9 | 0 | 0 | 0 | 108.2 | P53 R57 | P53-D55 PolarHBondContact O-N 3.29Å; D55-R57 PolarHBondContact O-N 2.92Å | ||
| 56 | C | 74.3 | Confident | 74.3 | Confident | 9 Ų | 9 | 92.1 Ų | 92.1 | 6% | 0.061 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 98.1 | 172.2 | -66 | 0 | 0 | 0 | 0 | 108.3 | N24 Q25 C39 F43 L54 | N24-C56 HydrophobicContact CB-CB 4.46Å; Q25-C56 HydrophobicContact CG-CB 4.36Å; Q25-C56 WeakPolarHBondContact CG-SG 3.31Å; Q25-C56 PolarHBondContact NE2-SG 3.48Å; C39-C56 WeakPolarHBondContact CA-SG 3.29Å; C39-C56 HydrophobicContact CB-CB 3.87Å; C39-C56 WeakPolarHBondContact CB-SG 3.24Å; C39-C56 WeakPolarHBondContact SG-CB 3.37Å; C39-C56 CovalentContact SG-SG 2.04Å; C39-C56 PolarHBondContact SG-SG 2.89Å; F43-C56 HydrophobicContact CB-CB 3.99Å; F43-C56 WeakPolarHBondContact CD1-O 3.45Å; L54-C56 PolarHBondContact O-N 3.29Å |
| 57 | R | 77.1 | Confident | 75.7 | Confident | 147 Ų | 147 | 90 Ų | 90 | 56% | 0.555 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 154.3 | 175 | -67.1 | -67.2 | -178.2 | -160.6 | -4.8 | 110.2 | F43 A44 D55 S59 | F43-R57 WeakPolarHBondContact CA-O 3.48Å; A44-R57 PolarHBondContact N-O 2.88Å; A44-R57 PolarHBondContact O-N 2.91Å; D55-R57 PolarHBondContact O-N 2.92Å; R57-S59 PolarHBondContact O-N 3.27Å |
| 58 | F | 79.1 | Confident | 77.2 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 39% | 0.39 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 125 | 170.5 | -172.8 | -105.9 | 0 | 0 | 0 | 108.4 | F42 W60 L63 | F42-F58 HydrophobicContact CB-CD2 4.2Å; F42-F58 HydrophobicContact CB-CE2 3.87Å; F58-W60 PolarHBondContact O-N 3.45Å; F58-L63 HydrophobicContact CD1-CB 4.38Å; F58-L63 HydrophobicContact CD1-CD1 4.26Å; F58-L63 HydrophobicContact CE1-CB 3.71Å; F58-L63 HydrophobicContact CE1-CD1 3.96Å; F58-L63 HydrophobicContact CE1-CG 4.03Å |
| 59 | S | 82.2 | Confident | 78.8 | Confident | 29 Ų | 29 | 90.6 Ų | 90.6 | 20% | 0.203 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 117.9 | -177.1 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | R57 V61 T62 L63 | R57-S59 PolarHBondContact O-N 3.27Å; S59-V61 PolarHBondContact O-N 2.81Å; S59-V61 PolarHBondContact OG-N 3.25Å; S59-T62 PolarHBondContact O-N 3.2Å; S59-T62 VanDerWaalsContact O-N 3.1Å; S59-L63 PolarHBondContact O-N 3.44Å; S59-L63 VanDerWaalsContact O-N 3.16Å |
| 60 | W | 85.7 | Confident | 80.5 | Confident | 222 Ų | 222 | 88.6 Ų | 88.6 | 84% | 0.841 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59.7 | -30 | 174.7 | -64.3 | 6.1 | 0 | 0 | 0 | 111.4 | F58 L63 L64 | F58-W60 PolarHBondContact O-N 3.45Å; W60-L63 WeakPolarHBondContact O-CB 3.47Å; W60-L63 PolarHBondContact O-N 2.93Å; W60-L64 WeakPolarHBondContact O-CB 3.47Å; W60-L64 PolarHBondContact O-N 3.42Å |
| 61 | V | 86.2 | Confident | 82.4 | Confident | 109 Ų | 109 | 89.1 Ų | 89.1 | 66% | 0.661 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63 | -45.6 | 176 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | S59 L63 L64 L65 | S59-V61 PolarHBondContact O-N 2.81Å; S59-V61 PolarHBondContact OG-N 3.25Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.41Å; V61-L64 PolarHBondContact O-N 3.41Å; V61-L65 VanDerWaalsContact O-CB 3.3Å; V61-L65 WeakPolarHBondContact O-CB 3.27Å; V61-L65 PolarHBondContact O-N 3.24Å |
| 62 | T | 85.9 | Confident | 84.5 | Confident | 44 Ų | 44 | 88.9 Ų | 88.9 | 27% | 0.27 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.6 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | F42 S59 L65 V66 | F42-T62 HydrophobicContact CD1-CG2 4.44Å; S59-T62 PolarHBondContact O-N 3.2Å; S59-T62 VanDerWaalsContact O-N 3.1Å; T62-L65 PolarHBondContact O-N 2.9Å; T62-V66 HydrophobicContact CG2-CG2 4.43Å; T62-V66 WeakPolarHBondContact O-CB 3.49Å; T62-V66 VanDerWaalsContact O-CG2 3.24Å; T62-V66 WeakPolarHBondContact O-CG2 3.24Å; T62-V66 PolarHBondContact O-N 2.93Å |
| 63 | L | 88.7 | Confident | 86.4 | Confident | 85 Ų | 85 | 89.2 Ų | 89.2 | 45% | 0.445 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.7 | -53.4 | 175.3 | -160.2 | 159 | 0 | 0 | 0 | 111 | F58 S59 W60 V61 L65 V66 L67 | F58-L63 HydrophobicContact CD1-CB 4.38Å; F58-L63 HydrophobicContact CD1-CD1 4.26Å; F58-L63 HydrophobicContact CE1-CB 3.71Å; F58-L63 HydrophobicContact CE1-CD1 3.96Å; F58-L63 HydrophobicContact CE1-CG 4.03Å; S59-L63 PolarHBondContact O-N 3.44Å; S59-L63 VanDerWaalsContact O-N 3.16Å; W60-L63 WeakPolarHBondContact O-CB 3.47Å; W60-L63 PolarHBondContact O-N 2.93Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.41Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.32Å; L63-V66 PolarHBondContact O-N 2.88Å; L63-L67 HydrophobicContact CD2-CD1 3.93Å; L63-L67 PolarHBondContact O-N 3.33Å |
| 64 | L | 93.3 | Very high | 88.1 | Confident | 108 Ų | 108 | 89.2 Ų | 89.2 | 57% | 0.565 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.8 | -44.1 | -177.4 | -140.8 | 171.4 | 0 | 0 | 0 | 110.7 | W60 V61 L67 I68 | W60-L64 WeakPolarHBondContact O-CB 3.47Å; W60-L64 PolarHBondContact O-N 3.42Å; V61-L64 PolarHBondContact O-N 3.41Å; L64-L67 WeakPolarHBondContact O-CB 3.4Å; L64-L67 PolarHBondContact O-N 3.25Å; L64-I68 HydrophobicContact CD2-CD1 4.35Å; L64-I68 HydrophobicContact CD2-CG1 3.79Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.3Å; L64-I68 PolarHBondContact O-N 3.29Å |
| 65 | L | 92.8 | Very high | 89.8 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 177.6 | -171.1 | 64.9 | 0 | 0 | 0 | 111.8 | V61 T62 L63 L67 I68 F69 | V61-L65 VanDerWaalsContact O-CB 3.3Å; V61-L65 WeakPolarHBondContact O-CB 3.27Å; V61-L65 PolarHBondContact O-N 3.24Å; T62-L65 PolarHBondContact O-N 2.9Å; L63-L65 VanDerWaalsContact C-N 3.32Å; L63-L65 PolarHBondContact O-N 3.32Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.35Å; L65-I68 PolarHBondContact O-N 2.93Å; L65-F69 HydrophobicContact CD1-CD2 3.82Å; L65-F69 HydrophobicContact CD1-CE2 3.42Å; L65-F69 VanDerWaalsContact CD1-CE2 3.42Å; L65-F69 HydrophobicContact CD1-CZ 4.47Å; L65-F69 HydrophobicContact CD2-CE2 4.21Å; L65-F69 HydrophobicContact CG-CD2 3.73Å; L65-F69 HydrophobicContact CG-CE2 3.62Å; L65-F69 VanDerWaalsContact O-CD2 3.24Å; L65-F69 WeakPolarHBondContact O-CD2 3.45Å; L65-F69 PolarHBondContact O-N 2.92Å |
| 66 | V | 94.5 | Very high | 91.1 | Very high | 85 Ų | 85 | 88.7 Ų | 88.7 | 52% | 0.515 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 177.1 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | T62 L63 S70 | T62-V66 HydrophobicContact CG2-CG2 4.43Å; T62-V66 WeakPolarHBondContact O-CB 3.49Å; T62-V66 VanDerWaalsContact O-CG2 3.24Å; T62-V66 WeakPolarHBondContact O-CG2 3.24Å; T62-V66 PolarHBondContact O-N 2.93Å; L63-V66 PolarHBondContact O-N 2.88Å; V66-S70 VanDerWaalsContact O-CB 3.29Å; V66-S70 WeakPolarHBondContact O-CB 3.42Å; V66-S70 PolarHBondContact O-N 2.9Å; V66-S70 PolarHBondContact O-OG 3.44Å |
| 67 | L | 96.5 | Very high | 92.2 | Very high | 91 Ų | 91 | 92.9 Ų | 92.9 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -49 | 178 | -122.5 | 172 | 0 | 0 | 0 | 111.6 | L63 L64 L65 S70 L71 | L63-L67 HydrophobicContact CD2-CD1 3.93Å; L63-L67 PolarHBondContact O-N 3.33Å; L64-L67 WeakPolarHBondContact O-CB 3.4Å; L64-L67 PolarHBondContact O-N 3.25Å; L65-L67 VanDerWaalsContact C-N 3.3Å; L65-L67 PolarHBondContact O-N 3.35Å; L67-S70 PolarHBondContact O-N 3.46Å; L67-L71 HydrophobicContact CD2-CD1 3.92Å; L67-L71 WeakPolarHBondContact O-CD1 3.36Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 3.44Å |
| 68 | I | 97.5 | Very high | 93.2 | Very high | 82 Ų | 82 | 90.4 Ų | 90.4 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 179.3 | -65.3 | -66.3 | 0 | 0 | 0 | 111.4 | L64 L65 S70 L71 L72 | L64-I68 HydrophobicContact CD2-CD1 4.35Å; L64-I68 HydrophobicContact CD2-CG1 3.79Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.3Å; L64-I68 PolarHBondContact O-N 3.29Å; L65-I68 PolarHBondContact O-N 2.93Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 2.98Å; I68-L71 PolarHBondContact O-N 3.41Å; I68-L72 HydrophobicContact CG2-CD1 3.86Å; I68-L72 HydrophobicContact CG2-CG 4.35Å; I68-L72 WeakPolarHBondContact O-CB 3.24Å; I68-L72 VanDerWaalsContact O-CG 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.48Å; I68-L72 PolarHBondContact O-N 2.89Å |
| 69 | F | 97.3 | Very high | 94 | Very high | 131 Ų | 131 | 95.5 Ų | 95.5 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -39.5 | 175.8 | -86.8 | -67 | 0 | 0 | 0 | 112.2 | L65 L72 S73 | L65-F69 HydrophobicContact CD1-CD2 3.82Å; L65-F69 HydrophobicContact CD1-CE2 3.42Å; L65-F69 VanDerWaalsContact CD1-CE2 3.42Å; L65-F69 HydrophobicContact CD1-CZ 4.47Å; L65-F69 HydrophobicContact CD2-CE2 4.21Å; L65-F69 HydrophobicContact CG-CD2 3.73Å; L65-F69 HydrophobicContact CG-CE2 3.62Å; L65-F69 VanDerWaalsContact O-CD2 3.24Å; L65-F69 WeakPolarHBondContact O-CD2 3.45Å; L65-F69 PolarHBondContact O-N 2.92Å; F69-L72 PolarHBondContact O-N 2.91Å; F69-S73 WeakPolarHBondContact O-CB 3.3Å; F69-S73 PolarHBondContact O-N 3.21Å; F69-S73 PolarHBondContact O-OG 3.29Å |
| 70 | S | 97.5 | Very high | 94.7 | Very high | 51 Ų | 51 | 98.7 Ų | 98.7 | 36% | 0.357 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | V66 L67 I68 S73 I74 | V66-S70 VanDerWaalsContact O-CB 3.29Å; V66-S70 WeakPolarHBondContact O-CB 3.42Å; V66-S70 PolarHBondContact O-N 2.9Å; V66-S70 PolarHBondContact O-OG 3.44Å; L67-S70 PolarHBondContact O-N 3.46Å; I68-S70 VanDerWaalsContact C-N 3.29Å; I68-S70 PolarHBondContact O-N 2.98Å; S70-S73 WeakPolarHBondContact CA-OG 3.31Å; S70-S73 PolarHBondContact O-N 2.93Å; S70-S73 PolarHBondContact O-OG 3.41Å; S70-I74 VanDerWaalsContact O-CG1 3.27Å; S70-I74 WeakPolarHBondContact O-CG1 3.29Å; S70-I74 PolarHBondContact O-N 3.42Å |
| 71 | L | 97.5 | Very high | 95.2 | Very high | 103 Ų | 103 | 92.5 Ų | 92.5 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 175.7 | -80.9 | 155.1 | 0 | 0 | 0 | 112.5 | L67 I68 I74 A75 | L67-L71 HydrophobicContact CD2-CD1 3.92Å; L67-L71 WeakPolarHBondContact O-CD1 3.36Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 3.44Å; I68-L71 PolarHBondContact O-N 3.41Å; L71-I74 PolarHBondContact O-N 3.33Å; L71-A75 WeakPolarHBondContact O-CB 3.49Å; L71-A75 PolarHBondContact O-N 2.81Å |
| 72 | L | 97.6 | Very high | 95.7 | Very high | 101 Ų | 101 | 90.4 Ų | 90.4 | 53% | 0.529 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 178.3 | -73.2 | 171.3 | 0 | 0 | 0 | 111.7 | I68 F69 A75 C76 | I68-L72 HydrophobicContact CG2-CD1 3.86Å; I68-L72 HydrophobicContact CG2-CG 4.35Å; I68-L72 WeakPolarHBondContact O-CB 3.24Å; I68-L72 VanDerWaalsContact O-CG 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.48Å; I68-L72 PolarHBondContact O-N 2.89Å; F69-L72 PolarHBondContact O-N 2.91Å; L72-A75 PolarHBondContact O-N 3.04Å; L72-C76 WeakPolarHBondContact O-CB 3.27Å; L72-C76 PolarHBondContact O-N 3.43Å; L72-C76 PolarHBondContact O-SG 3.41Å |
| 73 | S | 97.9 | Very high | 96.1 | Very high | 64 Ų | 64 | 90.9 Ų | 90.9 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 177.4 | 60.4 | 0 | 0 | 0 | 0 | 112 | F69 S70 A75 C76 I77 | F69-S73 WeakPolarHBondContact O-CB 3.3Å; F69-S73 PolarHBondContact O-N 3.21Å; F69-S73 PolarHBondContact O-OG 3.29Å; S70-S73 WeakPolarHBondContact CA-OG 3.31Å; S70-S73 PolarHBondContact O-N 2.93Å; S70-S73 PolarHBondContact O-OG 3.41Å; S73-A75 VanDerWaalsContact C-N 3.35Å; S73-A75 PolarHBondContact O-N 2.92Å; S73-C76 WeakPolarHBondContact O-CB 3.08Å; S73-C76 PolarHBondContact O-N 3.26Å; S73-I77 VanDerWaalsContact O-CG1 3.29Å; S73-I77 WeakPolarHBondContact O-CG1 3.39Å; S73-I77 PolarHBondContact O-N 3.23Å |
| 74 | I | 97.8 | Very high | 96.3 | Very high | 100 Ų | 100 | 91.6 Ų | 91.6 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.4 | -68.8 | 166.4 | 0 | 0 | 0 | 110.8 | S70 L71 C76 I77 I78 | S70-I74 VanDerWaalsContact O-CG1 3.27Å; S70-I74 WeakPolarHBondContact O-CG1 3.29Å; S70-I74 PolarHBondContact O-N 3.42Å; L71-I74 PolarHBondContact O-N 3.33Å; I74-C76 VanDerWaalsContact C-N 3.34Å; I74-C76 PolarHBondContact O-N 2.96Å; I74-I77 PolarHBondContact O-N 2.93Å; I74-I78 HydrophobicContact CG2-CD1 3.72Å; I74-I78 HydrophobicContact CG2-CG1 4.37Å; I74-I78 VanDerWaalsContact O-CG1 3.31Å; I74-I78 WeakPolarHBondContact O-CG1 3.5Å; I74-I78 PolarHBondContact O-N 3.31Å |
| 75 | A | 97.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 89.9 Ų | 89.9 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L71 L72 S73 I78 W79 | L71-A75 WeakPolarHBondContact O-CB 3.49Å; L71-A75 PolarHBondContact O-N 2.81Å; L72-A75 PolarHBondContact O-N 3.04Å; S73-A75 VanDerWaalsContact C-N 3.35Å; S73-A75 PolarHBondContact O-N 2.92Å; A75-I78 PolarHBondContact O-N 3.3Å; A75-W79 WeakPolarHBondContact O-CB 3.3Å; A75-W79 VanDerWaalsContact O-CD1 3.27Å; A75-W79 PolarHBondContact O-N 3.42Å |
| 76 | C | 97.3 | Very high | 96.1 | Very high | 74 Ų | 74 | 92.5 Ų | 92.5 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 175.1 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | L72 S73 I74 W79 I80 | L72-C76 WeakPolarHBondContact O-CB 3.27Å; L72-C76 PolarHBondContact O-N 3.43Å; L72-C76 PolarHBondContact O-SG 3.41Å; S73-C76 WeakPolarHBondContact O-CB 3.08Å; S73-C76 PolarHBondContact O-N 3.26Å; I74-C76 VanDerWaalsContact C-N 3.34Å; I74-C76 PolarHBondContact O-N 2.96Å; C76-W79 PolarHBondContact O-N 2.92Å; C76-I80 VanDerWaalsContact O-CG1 3.24Å; C76-I80 WeakPolarHBondContact O-CG1 3.13Å; C76-I80 PolarHBondContact O-N 3.34Å |
| 77 | I | 97.4 | Very high | 95.8 | Very high | 97 Ų | 97 | 91.7 Ų | 91.7 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -45.5 | 178.2 | -65.8 | -60.9 | 0 | 0 | 0 | 110.9 | S73 I74 W79 I80 I81 | S73-I77 VanDerWaalsContact O-CG1 3.29Å; S73-I77 WeakPolarHBondContact O-CG1 3.39Å; S73-I77 PolarHBondContact O-N 3.23Å; I74-I77 PolarHBondContact O-N 2.93Å; I77-W79 VanDerWaalsContact C-N 3.34Å; I77-W79 PolarHBondContact O-N 3.42Å; I77-I80 PolarHBondContact O-N 2.96Å; I77-I81 HydrophobicContact CG2-CD1 3.7Å; I77-I81 HydrophobicContact CG2-CG1 4.4Å; I77-I81 VanDerWaalsContact O-CG1 3.24Å; I77-I81 WeakPolarHBondContact O-CG1 3.38Å; I77-I81 PolarHBondContact O-N 2.97Å |
| 78 | I | 97.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 91.4 Ų | 91.4 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.5 | -67 | 168.3 | 0 | 0 | 0 | 110.6 | I74 A75 I80 I81 V82 | I74-I78 HydrophobicContact CG2-CD1 3.72Å; I74-I78 HydrophobicContact CG2-CG1 4.37Å; I74-I78 VanDerWaalsContact O-CG1 3.31Å; I74-I78 WeakPolarHBondContact O-CG1 3.5Å; I74-I78 PolarHBondContact O-N 3.31Å; A75-I78 PolarHBondContact O-N 3.3Å; I78-I80 PolarHBondContact O-N 3.29Å; I78-I81 PolarHBondContact O-N 3.1Å; I78-V82 HydrophobicContact CG2-CG2 4.32Å; I78-V82 WeakPolarHBondContact O-CB 3.04Å; I78-V82 VanDerWaalsContact O-CG2 3.31Å; I78-V82 WeakPolarHBondContact O-CG2 3.46Å; I78-V82 PolarHBondContact O-N 3.29Å |
| 79 | W | 96.8 | Very high | 93.9 | Very high | 196 Ų | 196 | 91.8 Ų | 91.8 | 74% | 0.742 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.2 | -44.5 | 176.6 | -95.8 | 102.7 | 0 | 0 | 0 | 112.6 | A75 C76 I77 V82 A83 | A75-W79 WeakPolarHBondContact O-CB 3.3Å; A75-W79 VanDerWaalsContact O-CD1 3.27Å; A75-W79 PolarHBondContact O-N 3.42Å; C76-W79 PolarHBondContact O-N 2.92Å; I77-W79 VanDerWaalsContact C-N 3.34Å; I77-W79 PolarHBondContact O-N 3.42Å; W79-V82 PolarHBondContact O-N 2.92Å; W79-A83 VanDerWaalsContact O-CB 3.29Å; W79-A83 WeakPolarHBondContact O-CB 3.46Å; W79-A83 PolarHBondContact O-N 3.45Å |
| 80 | I | 96.5 | Very high | 92.3 | Very high | 96 Ų | 96 | 89.9 Ų | 89.9 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 177.3 | -68.6 | 164.1 | 0 | 0 | 0 | 110.3 | C76 I77 I78 V82 A83 I84 | C76-I80 VanDerWaalsContact O-CG1 3.24Å; C76-I80 WeakPolarHBondContact O-CG1 3.13Å; C76-I80 PolarHBondContact O-N 3.34Å; I77-I80 PolarHBondContact O-N 2.96Å; I78-I80 PolarHBondContact O-N 3.29Å; I80-V82 PolarHBondContact O-N 3.47Å; I80-A83 PolarHBondContact O-N 3.22Å; I80-I84 HydrophobicContact CG2-CD1 3.67Å; I80-I84 HydrophobicContact CG2-CG1 4.38Å; I80-I84 VanDerWaalsContact O-CG1 3.26Å; I80-I84 WeakPolarHBondContact O-CG1 3.06Å; I80-I84 PolarHBondContact O-N 3.16Å |
| 81 | I | 96.2 | Very high | 90.5 | Very high | 92 Ų | 92 | 94.4 Ų | 94.4 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 177.7 | -67.5 | 165.5 | 0 | 0 | 0 | 110.3 | I77 I78 A83 I84 C85 | I77-I81 HydrophobicContact CG2-CD1 3.7Å; I77-I81 HydrophobicContact CG2-CG1 4.4Å; I77-I81 VanDerWaalsContact O-CG1 3.24Å; I77-I81 WeakPolarHBondContact O-CG1 3.38Å; I77-I81 PolarHBondContact O-N 2.97Å; I78-I81 PolarHBondContact O-N 3.1Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 3Å; I81-I84 PolarHBondContact O-N 3.33Å; I81-C85 WeakPolarHBondContact O-CB 3.01Å; I81-C85 PolarHBondContact O-N 3.42Å; I81-C85 PolarHBondContact O-SG 2.7Å |
| 82 | V | 95.8 | Very high | 88.5 | Confident | 65 Ų | 65 | 91.5 Ų | 91.5 | 39% | 0.394 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | I78 W79 I80 C85 K86 | I78-V82 HydrophobicContact CG2-CG2 4.32Å; I78-V82 WeakPolarHBondContact O-CB 3.04Å; I78-V82 VanDerWaalsContact O-CG2 3.31Å; I78-V82 WeakPolarHBondContact O-CG2 3.46Å; I78-V82 PolarHBondContact O-N 3.29Å; W79-V82 PolarHBondContact O-N 2.92Å; I80-V82 PolarHBondContact O-N 3.47Å; V82-C85 PolarHBondContact O-N 3.18Å; V82-K86 WeakPolarHBondContact O-CB 3.2Å; V82-K86 PolarHBondContact O-N 3.46Å |
| 83 | A | 93.9 | Very high | 86.5 | Confident | 55 Ų | 55 | 94.7 Ų | 94.7 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | W79 I80 I81 K86 A87 | W79-A83 VanDerWaalsContact O-CB 3.29Å; W79-A83 WeakPolarHBondContact O-CB 3.46Å; W79-A83 PolarHBondContact O-N 3.45Å; I80-A83 PolarHBondContact O-N 3.22Å; I81-A83 VanDerWaalsContact C-N 3.33Å; I81-A83 PolarHBondContact O-N 3Å; A83-K86 PolarHBondContact O-N 3.13Å; A83-A87 WeakPolarHBondContact O-CB 3.04Å; A83-A87 PolarHBondContact O-N 3.15Å |
| 84 | I | 93.6 | Very high | 84.4 | Confident | 99 Ų | 99 | 101.2 Ų | 101.2 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.8 | -46.1 | 175.1 | -66.3 | 166.4 | 0 | 0 | 0 | 110.3 | I80 I81 K86 A87 C88 | I80-I84 HydrophobicContact CG2-CD1 3.67Å; I80-I84 HydrophobicContact CG2-CG1 4.38Å; I80-I84 VanDerWaalsContact O-CG1 3.26Å; I80-I84 WeakPolarHBondContact O-CG1 3.06Å; I80-I84 PolarHBondContact O-N 3.16Å; I81-I84 PolarHBondContact O-N 3.33Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 2.04Å; I84-A87 PolarHBondContact O-N 3.35Å; I84-C88 WeakPolarHBondContact O-CB 3.03Å; I84-C88 PolarHBondContact O-N 3.17Å; I84-C88 PolarHBondContact O-SG 3.05Å |
| 85 | C | 92.3 | Very high | 82.5 | Confident | 73 Ų | 73 | 101.7 Ų | 101.7 | 49% | 0.493 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.8 | -43.1 | 176.7 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | I81 V82 C88 S89 | I81-C85 WeakPolarHBondContact O-CB 3.01Å; I81-C85 PolarHBondContact O-N 3.42Å; I81-C85 PolarHBondContact O-SG 2.7Å; V82-C85 PolarHBondContact O-N 3.18Å; C85-C88 PolarHBondContact O-N 3.29Å; C85-S89 WeakPolarHBondContact O-CB 3.31Å; C85-S89 PolarHBondContact O-N 3.06Å |
| 86 | K | 90.4 | Very high | 80.2 | Confident | 149 Ų | 149 | 106 Ų | 106 | 65% | 0.648 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.7 | -43.1 | 175.6 | -81.8 | -171.1 | 166.6 | 165 | 0 | 112.3 | V82 A83 I84 C88 S89 C90 | V82-K86 WeakPolarHBondContact O-CB 3.2Å; V82-K86 PolarHBondContact O-N 3.46Å; A83-K86 PolarHBondContact O-N 3.13Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 2.04Å; K86-C88 VanDerWaalsContact C-N 3.32Å; K86-C88 PolarHBondContact O-N 2.84Å; K86-S89 PolarHBondContact O-N 3.26Å; K86-C90 PolarHBondContact O-N 2.87Å; K86-C90 VanDerWaalsContact O-N 3.09Å; K86-C90 PolarHBondContact O-SG 2.76Å; K86-C90 VanDerWaalsContact O-SG 3.38Å |
| 87 | A | 87.4 | Confident | 77.9 | Confident | 67 Ų | 67 | 105.7 Ų | 105.7 | 55% | 0.554 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.3 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A83 I84 | A83-A87 WeakPolarHBondContact O-CB 3.04Å; A83-A87 PolarHBondContact O-N 3.15Å; I84-A87 PolarHBondContact O-N 3.35Å |
| 88 | C | 81.7 | Confident | 75.5 | Confident | 85 Ų | 85 | 108.2 Ų | 108.2 | 57% | 0.574 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.3 | -42.6 | 176.1 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | I84 C85 K86 C90 K91 | I84-C88 WeakPolarHBondContact O-CB 3.03Å; I84-C88 PolarHBondContact O-N 3.17Å; I84-C88 PolarHBondContact O-SG 3.05Å; C85-C88 PolarHBondContact O-N 3.29Å; K86-C88 VanDerWaalsContact C-N 3.32Å; K86-C88 PolarHBondContact O-N 2.84Å; C88-C90 VanDerWaalsContact C-N 3.33Å; C88-C90 PolarHBondContact O-N 3.28Å; C88-K91 PolarHBondContact O-N 3.44Å |
| 89 | S | 72.6 | Confident | 73.2 | Confident | 91 Ų | 91 | 108.5 Ų | 108.5 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.2 | -32.1 | 178.4 | -85.6 | 0 | 0 | 0 | 0 | 113.5 | C85 K86 K91 | C85-S89 WeakPolarHBondContact O-CB 3.31Å; C85-S89 PolarHBondContact O-N 3.06Å; K86-S89 PolarHBondContact O-N 3.26Å; S89-K91 VanDerWaalsContact C-N 3.28Å; S89-K91 PolarHBondContact O-N 3.05Å |
| 90 | C | 62.7 | Low | 71 | Confident | 91 Ų | 91 | 105.6 Ų | 105.6 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.4 | -24.6 | 177.3 | -72.2 | 0 | 0 | 0 | 0 | 113.3 | K86 C88 | K86-C90 PolarHBondContact O-N 2.87Å; K86-C90 VanDerWaalsContact O-N 3.09Å; K86-C90 PolarHBondContact O-SG 2.76Å; K86-C90 VanDerWaalsContact O-SG 3.38Å; C88-C90 VanDerWaalsContact C-N 3.33Å; C88-C90 PolarHBondContact O-N 3.28Å |
| 91 | K | 59.9 | Low | 68.9 | Low | 145 Ų | 145 | 106.4 Ų | 106.4 | 63% | 0.63 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74.1 | -27.4 | -176.7 | -128.9 | -178.8 | 175.3 | -165.9 | 0 | 113.2 | C88 S89 Q93 | C88-K91 PolarHBondContact O-N 3.44Å; S89-K91 VanDerWaalsContact C-N 3.28Å; S89-K91 PolarHBondContact O-N 3.05Å; K91-Q93 PolarHBondContact O-N 3.04Å |
| 92 | G | 56.9 | Low | 66.2 | Low | 42 Ų | 42 | 110.6 Ų | 110.6 | 43% | 0.433 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -72.6 | -22.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | T95 N96 | G92-T95 PolarHBondContact O-OG1 2.92Å; G92-N96 PolarHBondContact O-ND2 2.88Å |
| 93 | Q | 54.7 | Low | 63.8 | Low | 168 Ų | 168 | 112.6 Ų | 112.6 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -93.1 | -14.7 | -178.8 | -66.6 | -151.1 | 62.2 | 0 | 0 | 114.2 | K91 | K91-Q93 PolarHBondContact O-N 3.04Å |
| 94 | Y | 53.8 | Low | 61.4 | Low | 201 Ų | 201 | 119.4 Ų | 119.4 | 79% | 0.788 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88.3 | -16.3 | 175.2 | -107.7 | -90.6 | 0 | 0 | 0 | 114 | N96 | Y94-N96 VanDerWaalsContact C-N 3.31Å |
| 95 | T | 57.3 | Low | 59.1 | Low | 111 Ų | 111 | 120 Ų | 120 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -16.3 | 173.2 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | G92 | G92-T95 PolarHBondContact O-OG1 2.92Š|
| 96 | N | 49.5 | Very low | 56.5 | Low | 133 Ų | 133 | 125.4 Ų | 125.4 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 0.2 | 174.1 | -72.6 | -75.3 | 0 | 0 | 0 | 113.5 | G92 Y94 K98 | G92-N96 PolarHBondContact O-ND2 2.88Å; Y94-N96 VanDerWaalsContact C-N 3.31Å; N96-K98 PolarHBondContact O-N 3.3Å |
| 97 | A | 50 | Low | 54.2 | Low | 69 Ų | 69 | 125.4 Ų | 125.4 | 57% | 0.57 | 69% | 0.691 | S | S | * | * | trans | -73.4 | 69.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 98 | K | 47 | Very low | 52 | Low | 149 Ų | 149 | 130.7 Ų | 130.7 | 65% | 0.648 | 70% | 0.704 | S | S | * | * | trans | -45.6 | 127.7 | 161.2 | -175.8 | -173.6 | -178.9 | -172.1 | 0 | 106.1 | N96 V100 | N96-K98 PolarHBondContact O-N 3.3Å; K98-V100 PolarHBondContact O-N 3.15Å | ||
| 99 | P | 48.5 | Very low | 50.1 | Low | 102 Ų | 102 | 131.8 Ų | 131.8 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | trans | -52.5 | 122.7 | 171.8 | 22.7 | -31.4 | 0 | 0 | 0 | 106.3 | N101 | P99-N101 VanDerWaalsContact C-N 3.31Å; P99-N101 PolarHBondContact O-N 3.43Å | ||
| 100 | V | 50.8 | Low | 48.5 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | trans | -51.7 | 109.1 | 165.5 | 172.1 | 0 | 0 | 0 | 0 | 104.1 | K98 Q102 | K98-V100 PolarHBondContact O-N 3.15Å; V100-Q102 PolarHBondContact O-N 3.22Å | ||
| 101 | N | 52.7 | Low | 47.3 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | trans | -50.2 | 116 | 170.6 | -69.2 | -46 | 0 | 0 | 0 | 104.7 | P99 P103 | P99-N101 VanDerWaalsContact C-N 3.31Å; P99-N101 PolarHBondContact O-N 3.43Å; N101-P103 WeakPolarHBondContact O-CD 3.13Å; N101-P103 VanDerWaalsContact O-N 3.08Å | ||
| 102 | Q | 38.7 | Very low | 46.4 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | trans | -50.1 | 119.7 | 162.9 | -75.5 | -178.4 | -85.1 | 0 | 0 | 105.8 | V100 E104 | V100-Q102 PolarHBondContact O-N 3.22Å; Q102-E104 PolarHBondContact O-N 2.86Å | ||
| 103 | P | 46.2 | Very low | 45.6 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -60.4 | 113 | 156.3 | 25.4 | -28.4 | 0 | 0 | 0 | 105.5 | N101 V105 | N101-P103 WeakPolarHBondContact O-CD 3.13Å; N101-P103 VanDerWaalsContact O-N 3.08Å; P103-V105 HydrophobicContact CB-CG2 4.3Å; P103-V105 PolarHBondContact O-N 3.13Å | ||
| 104 | E | 44 | Very low | 44.9 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 93% | 0.925 | 76% | 0.759 | S | S | * | * | trans | -55.3 | 84.6 | 163 | -147 | 164.3 | 104.8 | 0 | 0 | 106.7 | Q102 | Q102-E104 PolarHBondContact O-N 2.86Š| ||
| 105 | V | 43.2 | Very low | 44.5 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | trans | -121 | 84 | 165.3 | -173.8 | 0 | 0 | 0 | 0 | 105.7 | P103 N107 | P103-V105 HydrophobicContact CB-CG2 4.3Å; P103-V105 PolarHBondContact O-N 3.13Å; V105-N107 PolarHBondContact O-N 3.17Å | ||
| 106 | E | 39.6 | Very low | 43.9 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -15.4 | 95.8 | 143.5 | -166.7 | 173.9 | 136.1 | 0 | 0 | 113.1 | ||||
| 107 | N | 40.3 | Very low | 43.8 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -145.5 | 133.6 | 136.7 | 65.7 | 2 | 0 | 0 | 0 | 110.9 | V105 | V105-N107 PolarHBondContact O-N 3.17Š| ||
| 108 | E | 41.4 | Very low | 43.9 | Very low | 178 Ų | 178 | 145 Ų | 145 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -70.1 | 150.8 | -170.6 | -72.1 | 165.4 | 80.1 | 0 | 0 | 114 | ||||
| 109 | S | 43 | Very low | 43.6 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 67.8 | 112.6 | 163.7 | 80.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 110 | I | 38.5 | Very low | 43.7 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | -156 | 121.7 | 69.2 | -75.6 | 157 | 0 | 0 | 0 | 109.3 | S112 | I110-S112 PolarHBondContact O-N 2.89Š| |||
| 111 | R | 36.5 | Very low | 43.1 | Very low | 231 Ų | 231 | 148.6 Ų | 148.6 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -27.2 | 115.3 | 157 | 176.9 | -173.3 | -73.6 | 168.5 | -4.9 | 114.8 | ||||
| 112 | S | 41.2 | Very low | 42.6 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -147.7 | 115.6 | 140.7 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | I110 | I110-S112 PolarHBondContact O-N 2.89Š| ||
| 113 | V | 41.2 | Very low | 43 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | trans | -94 | 154.5 | -165.3 | 163.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 114 | R | 40.6 | Very low | 42.9 | Very low | 221 Ų | 221 | 152.7 Ų | 152.7 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | 91.9 | 81.2 | 160.1 | -95.2 | 171.2 | -149.7 | 148.7 | 3.4 | 117.7 | ||||
| 115 | S | 44.4 | Very low | 43.3 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -69.4 | 123.5 | 137.2 | 43.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 116 | V | 44.2 | Very low | 43.3 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -80.2 | 117.2 | 173.2 | 171.9 | 0 | 0 | 0 | 0 | 108 | S118 | V116-S118 PolarHBondContact O-N 2.92Å; V116-S118 VanDerWaalsContact O-N 3.15Å | ||
| 117 | T | 48.4 | Very low | 43.4 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -58.7 | 105.5 | 175.2 | -44.7 | 0 | 0 | 0 | 0 | 110.9 | I119 | T117-I119 PolarHBondContact O-N 2.98Š| ||
| 118 | S | 51.9 | Low | 43.9 | Very low | 110 Ų | 110 | 146.6 Ų | 146.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -76.5 | 105.6 | 163.7 | 56.9 | 0 | 0 | 0 | 0 | 108.5 | V116 P120 | V116-S118 PolarHBondContact O-N 2.92Å; V116-S118 VanDerWaalsContact O-N 3.15Å; S118-P120 WeakPolarHBondContact O-CD 3.44Å | ||
| 119 | I | 40.3 | Very low | 44.2 | Very low | 145 Ų | 145 | 149 Ų | 149 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -58.2 | 117.7 | 172.1 | -60.7 | 169 | 0 | 0 | 0 | 108.3 | T117 Y121 | T117-I119 PolarHBondContact O-N 2.98Å; I119-Y121 PolarHBondContact O-N 3.44Å | ||
| 120 | P | 50.4 | Low | 44.3 | Very low | 114 Ų | 114 | 151.1 Ų | 151.1 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | trans | -77 | 113 | 174.2 | 29.2 | -29.6 | 0 | 0 | 0 | 108.8 | S118 N122 | S118-P120 WeakPolarHBondContact O-CD 3.44Å; P120-N122 PolarHBondContact O-N 2.92Å | ||
| 121 | Y | 39.2 | Very low | 44.6 | Very low | 201 Ų | 201 | 150.5 Ų | 150.5 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | trans | -60.5 | 112.3 | 166.5 | 35.9 | -86.8 | 0 | 0 | 0 | 108.6 | I119 T123 | I119-Y121 PolarHBondContact O-N 3.44Å; Y121-T123 VanDerWaalsContact C-N 3.33Å; Y121-T123 PolarHBondContact O-N 2.93Å | ||
| 122 | N | 42.3 | Very low | 45 | Very low | 148 Ų | 148 | 146 Ų | 146 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -70.2 | 83 | 175.7 | -179.9 | 14.4 | 0 | 0 | 0 | 109.6 | P120 R124 | P120-N122 PolarHBondContact O-N 2.92Å; N122-R124 PolarHBondContact O-N 2.04Å | ||
| 123 | T | 46.7 | Very low | 45.2 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | trans | -84.2 | 96 | 160.7 | -21.1 | 0 | 0 | 0 | 0 | 107.2 | Y121 S125 | Y121-T123 VanDerWaalsContact C-N 3.33Å; Y121-T123 PolarHBondContact O-N 2.93Å; T123-S125 PolarHBondContact O-N 2.03Å | ||
| 124 | R | 44 | Very low | 45.5 | Very low | 229 Ų | 229 | 149.6 Ų | 149.6 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -50.1 | 86.3 | 166.1 | -164.9 | -179.8 | -166.7 | 176.5 | 2.4 | 108.6 | N122 I126 | N122-R124 PolarHBondContact O-N 2.04Å; R124-I126 PolarHBondContact O-N 3.39Å | ||
| 125 | S | 52.5 | Low | 45.8 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 59% | 0.594 | 80% | 0.8 | S | S | * | * | trans | -72.7 | 117.6 | 174.7 | 52.9 | 0 | 0 | 0 | 0 | 107.7 | T123 N127 | T123-S125 PolarHBondContact O-N 2.03Å; S125-N127 PolarHBondContact O-N 3.2Å | ||
| 126 | I | 43.7 | Very low | 45.9 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -31.9 | 123.7 | 174.6 | -68.9 | 158.8 | 0 | 0 | 0 | 111.2 | R124 C128 | R124-I126 PolarHBondContact O-N 3.39Å; I126-C128 PolarHBondContact O-N 3.04Å | ||
| 127 | N | 42 | Very low | 46.1 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -53.2 | 121.3 | 170.4 | -83.8 | -10.5 | 0 | 0 | 0 | 108.9 | S125 | S125-N127 PolarHBondContact O-N 3.2Š| ||
| 128 | C | 50.2 | Low | 45.9 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -93.3 | 82.5 | 158.9 | -63.2 | 0 | 0 | 0 | 0 | 106.8 | I126 | I126-C128 PolarHBondContact O-N 3.04Š| ||
| 129 | D | 47.3 | Very low | 45.3 | Very low | 229 Ų | 229 | 153.8 Ų | 153.8 | 100% | 1.225 | 81% | 0.806 | S | S | * | * | trans | -148 | 0 | 154.2 | -93.1 | -34.8 | 0 | 0 | 0 | 107.3 |
Retrieved 129 of 129 residues in 208.5 ms
(Link to these results)