| 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 | 46.8 | Very low | 53.9 | Low | 222 Ų | 222 | 171.1 Ų | 171.1 | 100% | 1.094 | 85% | 0.852 | S | S | * | * | 0 | 100.1 | 0 | -78.4 | 177.8 | 177.1 | 0 | 0 | 106.8 | |||||
| 2 | E | 43 | Very low | 54.8 | Low | 201 Ų | 201 | 165.7 Ų | 165.7 | 94% | 0.939 | 84% | 0.838 | S | S | * | * | trans | -80.1 | 125.1 | 173.5 | -71.6 | -161.7 | 152.3 | 0 | 0 | 109.1 | ||||
| 3 | Y | 46.8 | Very low | 56.1 | Low | 208 Ų | 208 | 157.8 Ų | 157.8 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | -85.4 | 111.2 | 174.4 | -77.5 | -88.5 | 0 | 0 | 0 | 109 | M5 | Y3-M5 PolarHBondContact O-N 3.45Š| ||
| 4 | F | 51.2 | Low | 56.6 | Low | 191 Ų | 191 | 155.2 Ų | 155.2 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -78.3 | 103.9 | 173.2 | -161.1 | -95 | 0 | 0 | 0 | 109.3 | V6 | F4-V6 HydrophobicContact CD1-CG2 4.04Å; F4-V6 HydrophobicContact CE1-CG2 4.31Å | ||
| 5 | M | 58.3 | Low | 57.1 | Low | 174 Ų | 174 | 154.2 Ų | 154.2 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -81.3 | 113.8 | 170.7 | -83.7 | 177.5 | 60.6 | 0 | 0 | 109.8 | Y3 | Y3-M5 PolarHBondContact O-N 3.45Š| ||
| 6 | V | 61.8 | Low | 57.5 | Low | 108 Ų | 108 | 152.3 Ų | 152.3 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 130.9 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | F4 T8 | F4-V6 HydrophobicContact CD1-CG2 4.04Å; F4-V6 HydrophobicContact CE1-CG2 4.31Å; V6-T8 PolarHBondContact O-N 3.43Å |
| 7 | P | 54.3 | Low | 57.6 | Low | 118 Ų | 118 | 151.3 Ų | 151.3 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.9 | 177.3 | -16.9 | 29.7 | 0 | 0 | 0 | 111.3 | Q9 | P7-Q9 PolarHBondContact O-N 3.47Š|
| 8 | T | 55.2 | Low | 57.9 | Low | 139 Ų | 139 | 151.1 Ų | 151.1 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 119.9 | 173.2 | 49.8 | 0 | 0 | 0 | 0 | 110 | V6 K10 | V6-T8 PolarHBondContact O-N 3.43Å; T8-K10 PolarHBondContact O-N 2.8Å |
| 9 | Q | 56.7 | Low | 58.1 | Low | 186 Ų | 186 | 150.2 Ų | 150.2 | 87% | 0.869 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 121.2 | 169.6 | -94 | -179.2 | -12.4 | 0 | 0 | 109.3 | P7 V11 | P7-Q9 PolarHBondContact O-N 3.47Å; Q9-V11 PolarHBondContact O-N 2.66Å; Q9-V11 VanDerWaalsContact O-N 3.08Å |
| 10 | K | 57.6 | Low | 58.4 | Low | 203 Ų | 203 | 146.4 Ų | 146.4 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -64.1 | 107.4 | 170.3 | -98.6 | -178.5 | 174.9 | 175.9 | 0 | 109.1 | T8 P12 | T8-K10 PolarHBondContact O-N 2.8Å; K10-P12 WeakPolarHBondContact O-CD 3.38Å | ||
| 11 | V | 61.1 | Low | 58.4 | Low | 132 Ų | 132 | 143.8 Ų | 143.8 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 124.2 | 171 | -168.5 | 0 | 0 | 0 | 0 | 108.3 | Q9 S13 | Q9-V11 PolarHBondContact O-N 2.66Å; Q9-V11 VanDerWaalsContact O-N 3.08Å; V11-S13 PolarHBondContact O-N 2.7Å |
| 12 | P | 64.6 | Low | 59.1 | Low | 106 Ų | 106 | 141 Ų | 141 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.3 | 176.2 | -23.8 | 33.5 | 0 | 0 | 0 | 111 | K10 | K10-P12 WeakPolarHBondContact O-CD 3.38Š|
| 13 | S | 72.2 | Confident | 60.1 | Low | 64 Ų | 64 | 136.9 Ų | 136.9 | 45% | 0.448 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 146.5 | -177.3 | 70.2 | 0 | 0 | 0 | 0 | 111.4 | V11 Q15 H16 F17 | V11-S13 PolarHBondContact O-N 2.7Å; S13-Q15 PolarHBondContact O-N 3.45Å; S13-H16 WeakPolarHBondContact O-CA 3.47Å; S13-H16 VanDerWaalsContact O-CB 3.31Å; S13-H16 WeakPolarHBondContact O-CB 3.31Å; S13-H16 PolarHBondContact O-N 3.45Å; S13-F17 PolarHBondContact O-N 2.91Å |
| 14 | L | 63.3 | Low | 61.1 | Low | 121 Ų | 121 | 130.8 Ų | 130.8 | 63% | 0.634 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -57.9 | -22.7 | 179.1 | -163.6 | 133.7 | 0 | 0 | 0 | 113 | F17 R18 | L14-F17 PolarHBondContact O-N 3.38Å; L14-R18 HydrophobicContact CD2-CG 4.47Å; L14-R18 WeakPolarHBondContact O-CG 3.48Å; L14-R18 PolarHBondContact O-N 2.93Å; L14-R18 VanDerWaalsContact O-N 3.11Å |
| 15 | Q | 63.8 | Low | 61.6 | Low | 140 Ų | 140 | 126.4 Ų | 126.4 | 65% | 0.654 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.2 | -37.5 | 172.1 | -67.1 | -68.4 | -15 | 0 | 0 | 112.8 | S13 K19 | S13-Q15 PolarHBondContact O-N 3.45Å; Q15-K19 WeakPolarHBondContact O-CB 3.32Å; Q15-K19 PolarHBondContact O-N 3.44Å; Q15-K19 VanDerWaalsContact O-N 3.12Å |
| 16 | H | 63.8 | Low | 61.7 | Low | 124 Ų | 124 | 119.9 Ų | 119.9 | 57% | 0.574 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.1 | -45.7 | 172.4 | -104.8 | 74.5 | 0 | 0 | 0 | 110.3 | S13 R18 K19 T20 | S13-H16 WeakPolarHBondContact O-CA 3.47Å; S13-H16 VanDerWaalsContact O-CB 3.31Å; S13-H16 WeakPolarHBondContact O-CB 3.31Å; S13-H16 PolarHBondContact O-N 3.45Å; H16-R18 PolarHBondContact O-N 2.83Å; H16-K19 PolarHBondContact O-N 3.39Å; H16-K19 VanDerWaalsContact O-N 3.1Å; H16-T20 PolarHBondContact O-N 3Å; H16-T20 PolarHBondContact O-OG1 2.91Å |
| 17 | F | 58.8 | Low | 61.8 | Low | 135 Ų | 135 | 116.4 Ų | 116.4 | 59% | 0.592 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59 | -47.6 | 179.9 | -159.6 | -94.1 | 0 | 0 | 0 | 112.1 | S13 L14 K19 T20 E21 | S13-F17 PolarHBondContact O-N 2.91Å; L14-F17 PolarHBondContact O-N 3.38Å; F17-K19 VanDerWaalsContact C-N 3.28Å; F17-K19 PolarHBondContact O-N 2.91Å; F17-T20 PolarHBondContact O-N 3.27Å; F17-E21 HydrophobicContact CD1-CG 4.15Å; F17-E21 HydrophobicContact CE1-CG 3.99Å; F17-E21 WeakPolarHBondContact CE1-OE1 3.39Å; F17-E21 PolarHBondContact O-N 3.49Å |
| 18 | R | 62.2 | Low | 62.1 | Low | 147 Ų | 147 | 115.8 Ų | 115.8 | 56% | 0.555 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.1 | -29.5 | 176.4 | -73.8 | -171 | 174.4 | -171.2 | -0.4 | 113.9 | L14 H16 K22 | L14-R18 HydrophobicContact CD2-CG 4.47Å; L14-R18 WeakPolarHBondContact O-CG 3.48Å; L14-R18 PolarHBondContact O-N 2.93Å; L14-R18 VanDerWaalsContact O-N 3.11Å; H16-R18 PolarHBondContact O-N 2.83Å; R18-K22 WeakPolarHBondContact O-CB 3.4Å; R18-K22 VanDerWaalsContact O-CG 3.26Å; R18-K22 WeakPolarHBondContact O-CG 3.44Å; R18-K22 PolarHBondContact O-N 3.34Å |
| 19 | K | 62.5 | Low | 62.3 | Low | 134 Ų | 134 | 111 Ų | 111 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.3 | -43.1 | 177.5 | -163.1 | 176.1 | -178.1 | -175.5 | 0 | 110.7 | Q15 H16 F17 K22 E23 | Q15-K19 WeakPolarHBondContact O-CB 3.32Å; Q15-K19 PolarHBondContact O-N 3.44Å; Q15-K19 VanDerWaalsContact O-N 3.12Å; H16-K19 PolarHBondContact O-N 3.39Å; H16-K19 VanDerWaalsContact O-N 3.1Å; F17-K19 VanDerWaalsContact C-N 3.28Å; F17-K19 PolarHBondContact O-N 2.91Å; K19-K22 PolarHBondContact O-N 3Å; K19-E23 PolarHBondContact O-N 3.36Å |
| 20 | T | 63.4 | Low | 62.4 | Low | 74 Ų | 74 | 105.5 Ų | 105.5 | 45% | 0.454 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -43.1 | 175 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | H16 F17 K22 E23 V24 | H16-T20 PolarHBondContact O-N 3Å; H16-T20 PolarHBondContact O-OG1 2.91Å; F17-T20 PolarHBondContact O-N 3.27Å; T20-K22 PolarHBondContact O-N 3.35Å; T20-E23 PolarHBondContact O-N 2.98Å; T20-V24 HydrophobicContact CG2-CG2 4.37Å; T20-V24 WeakPolarHBondContact O-CB 3.46Å; T20-V24 VanDerWaalsContact O-CG2 3.23Å; T20-V24 WeakPolarHBondContact O-CG2 3.48Å; T20-V24 PolarHBondContact O-N 3.29Å |
| 21 | E | 59.9 | Low | 62.4 | Low | 93 Ų | 93 | 103 Ų | 103 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 174.8 | -78.9 | -175.9 | 141.1 | 0 | 0 | 112.4 | F17 E23 V24 I25 | F17-E21 HydrophobicContact CD1-CG 4.15Å; F17-E21 HydrophobicContact CE1-CG 3.99Å; F17-E21 WeakPolarHBondContact CE1-OE1 3.39Å; F17-E21 PolarHBondContact O-N 3.49Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 2.9Å; E21-V24 PolarHBondContact O-N 3.02Å; E21-I25 VanDerWaalsContact O-CB 3.29Å; E21-I25 WeakPolarHBondContact O-CB 3.46Å; E21-I25 WeakPolarHBondContact O-CD1 3.46Å; E21-I25 WeakPolarHBondContact O-CG1 3.47Å; E21-I25 PolarHBondContact O-N 2.88Å |
| 22 | K | 61.2 | Low | 62.4 | Low | 162 Ų | 162 | 99.4 Ų | 99.4 | 70% | 0.704 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -35.3 | 177.4 | -75.4 | 177.1 | 179.9 | -170.3 | 0 | 112.8 | R18 K19 T20 G26 | R18-K22 WeakPolarHBondContact O-CB 3.4Å; R18-K22 VanDerWaalsContact O-CG 3.26Å; R18-K22 WeakPolarHBondContact O-CG 3.44Å; R18-K22 PolarHBondContact O-N 3.34Å; K19-K22 PolarHBondContact O-N 3Å; T20-K22 PolarHBondContact O-N 3.35Å; K22-G26 PolarHBondContact O-N 3.17Å |
| 23 | E | 63.5 | Low | 61.9 | Low | 116 Ų | 116 | 101.9 Ų | 101.9 | 54% | 0.542 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.2 | -40.1 | 175.3 | -76.9 | 176.9 | 178.1 | 0 | 0 | 112.2 | K19 T20 E21 G26 G27 | K19-E23 PolarHBondContact O-N 3.36Å; T20-E23 PolarHBondContact O-N 2.98Å; E21-E23 VanDerWaalsContact C-N 3.32Å; E21-E23 PolarHBondContact O-N 2.9Å; E23-G26 PolarHBondContact O-N 3.34Å; E23-G27 PolarHBondContact O-N 3.37Å |
| 24 | V | 66.9 | Low | 61.4 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -47 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | T20 E21 G27 L28 | T20-V24 HydrophobicContact CG2-CG2 4.37Å; T20-V24 WeakPolarHBondContact O-CB 3.46Å; T20-V24 VanDerWaalsContact O-CG2 3.23Å; T20-V24 WeakPolarHBondContact O-CG2 3.48Å; T20-V24 PolarHBondContact O-N 3.29Å; E21-V24 PolarHBondContact O-N 3.02Å; V24-G27 PolarHBondContact O-N 3.22Å; V24-L28 HydrophobicContact CG1-CD1 3.93Å; V24-L28 HydrophobicContact CG1-CG 4.49Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.4Å; V24-L28 PolarHBondContact O-N 3.32Å |
| 25 | I | 61.5 | Low | 61.1 | Low | 100 Ų | 100 | 103.1 Ų | 103.1 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 177 | -66.8 | 165.2 | 0 | 0 | 0 | 110.3 | E21 G27 L28 C29 | E21-I25 VanDerWaalsContact O-CB 3.29Å; E21-I25 WeakPolarHBondContact O-CB 3.46Å; E21-I25 WeakPolarHBondContact O-CD1 3.46Å; E21-I25 WeakPolarHBondContact O-CG1 3.47Å; E21-I25 PolarHBondContact O-N 2.88Å; I25-G27 VanDerWaalsContact C-N 3.35Å; I25-G27 PolarHBondContact O-N 3.03Å; I25-L28 PolarHBondContact O-N 3.41Å; I25-C29 WeakPolarHBondContact O-CB 3.46Å; I25-C29 PolarHBondContact O-N 2.95Å; I25-C29 PolarHBondContact O-SG 3.42Å |
| 26 | G | 61.2 | Low | 60.8 | Low | 36 Ų | 36 | 98.8 Ų | 98.8 | 37% | 0.371 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K22 E23 S30 | K22-G26 PolarHBondContact O-N 3.17Å; E23-G26 PolarHBondContact O-N 3.34Å; G26-S30 PolarHBondContact O-N 3.35Å; G26-S30 VanDerWaalsContact O-N 3.16Å; G26-S30 PolarHBondContact O-OG 3.03Å |
| 27 | G | 64.1 | Low | 61.1 | Low | 36 Ų | 36 | 96.7 Ų | 96.7 | 37% | 0.371 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | E23 V24 I25 S30 L31 | E23-G27 PolarHBondContact O-N 3.37Å; V24-G27 PolarHBondContact O-N 3.22Å; I25-G27 VanDerWaalsContact C-N 3.35Å; I25-G27 PolarHBondContact O-N 3.03Å; G27-S30 PolarHBondContact O-N 2.95Å; G27-L31 WeakPolarHBondContact O-CG 3.1Å; G27-L31 PolarHBondContact O-N 2.98Å |
| 28 | L | 60.2 | Low | 61.8 | Low | 104 Ų | 104 | 94.9 Ų | 94.9 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 176.2 | -70.6 | 170.8 | 0 | 0 | 0 | 112.1 | V24 I25 L31 A32 | V24-L28 HydrophobicContact CG1-CD1 3.93Å; V24-L28 HydrophobicContact CG1-CG 4.49Å; V24-L28 WeakPolarHBondContact O-CB 3.43Å; V24-L28 VanDerWaalsContact O-CG 3.25Å; V24-L28 WeakPolarHBondContact O-CG 3.4Å; V24-L28 PolarHBondContact O-N 3.32Å; I25-L28 PolarHBondContact O-N 3.41Å; L28-L31 PolarHBondContact O-N 3.34Å; L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 3.47Å; L28-A32 VanDerWaalsContact O-N 3.14Å |
| 29 | C | 59.1 | Low | 62.2 | Low | 39 Ų | 39 | 93.9 Ų | 93.9 | 26% | 0.264 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 175.6 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | I25 L31 A32 | I25-C29 WeakPolarHBondContact O-CB 3.46Å; I25-C29 PolarHBondContact O-N 2.95Å; I25-C29 PolarHBondContact O-SG 3.42Å; C29-L31 VanDerWaalsContact C-N 3.33Å; C29-A32 PolarHBondContact O-N 3.33Å |
| 30 | S | 58.8 | Low | 62.9 | Low | 71 Ų | 71 | 90.2 Ų | 90.2 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.5 | -30.1 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 113.6 | G26 G27 | G26-S30 PolarHBondContact O-N 3.35Å; G26-S30 VanDerWaalsContact O-N 3.16Å; G26-S30 PolarHBondContact O-OG 3.03Å; G27-S30 PolarHBondContact O-N 2.95Å |
| 31 | L | 58.9 | Low | 63.8 | Low | 149 Ų | 149 | 91.8 Ų | 91.8 | 78% | 0.78 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -81.9 | -23.8 | 178.3 | -72 | 167.6 | 0 | 0 | 0 | 113.4 | G27 L28 C29 | G27-L31 WeakPolarHBondContact O-CG 3.1Å; G27-L31 PolarHBondContact O-N 2.98Å; L28-L31 PolarHBondContact O-N 3.34Å; C29-L31 VanDerWaalsContact C-N 3.33Å |
| 32 | A | 59.8 | Low | 65 | Low | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L28 C29 I34 | L28-A32 WeakPolarHBondContact O-CB 3.36Å; L28-A32 PolarHBondContact O-N 3.47Å; L28-A32 VanDerWaalsContact O-N 3.14Å; C29-A32 PolarHBondContact O-N 3.33Å; A32-I34 HydrophobicContact CB-CD1 3.71Å; A32-I34 HydrophobicContact CB-CG1 3.76Å; A32-I34 PolarHBondContact O-N 3Å |
| 33 | N | 55 | Low | 66.2 | Low | 158 Ų | 158 | 90.2 Ų | 90.2 | 85% | 0.845 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 31.7 | -175.5 | -80.1 | -25.7 | 0 | 0 | 0 | 113.4 | ||
| 34 | I | 61.6 | Low | 67.4 | Low | 93 Ų | 93 | 88.7 Ų | 88.7 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | trans | -75.6 | 131 | 175.9 | -61.6 | 169.1 | 0 | 0 | 0 | 106.8 | A32 L36 | A32-I34 HydrophobicContact CB-CD1 3.71Å; A32-I34 HydrophobicContact CB-CG1 3.76Å; A32-I34 PolarHBondContact O-N 3Å; I34-L36 PolarHBondContact O-N 3.47Å | ||
| 35 | P | 56.7 | Low | 68.6 | Low | 118 Ų | 118 | 89.5 Ų | 89.5 | 77% | 0.766 | 50% | 0.501 | S | S | * | . | trans | -54.5 | 107.1 | 177.4 | -24.5 | 33 | 0 | 0 | 0 | 110.2 | T37 | P35-T37 PolarHBondContact O-N 3.42Š| ||
| 36 | L | 58.8 | Low | 70.3 | Confident | 49 Ų | 49 | 90.8 Ų | 90.8 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | trans | -55.5 | 129.5 | 170.5 | -79.1 | 154.7 | 0 | 0 | 0 | 107.4 | I34 T40 Q41 | I34-L36 PolarHBondContact O-N 3.47Å; L36-T40 WeakPolarHBondContact CA-OG1 3.38Å; L36-T40 VanDerWaalsContact CB-OG1 3.29Å; L36-T40 WeakPolarHBondContact CB-OG1 3.47Å; L36-T40 VanDerWaalsContact CD2-OG1 3.31Å; L36-T40 WeakPolarHBondContact CD2-OG1 3.46Å; L36-Q41 HydrophobicContact CB-CG 3.47Å; L36-Q41 VanDerWaalsContact CB-CG 3.47Å; L36-Q41 HydrophobicContact CD1-CG 4.34Å | ||
| 37 | T | 68.4 | Low | 71.9 | Confident | 80 Ų | 80 | 96.3 Ų | 96.3 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | trans | -55.1 | 145.8 | 171.9 | 63.9 | 0 | 0 | 0 | 0 | 108.6 | P35 E39 T40 Q41 | P35-T37 PolarHBondContact O-N 3.42Å; T37-E39 CarbonylContact O-C 3.58Å; T37-E39 PolarHBondContact O-N 3.14Å; T37-T40 PolarHBondContact N-OG1 2.92Å; T37-T40 WeakPolarHBondContact O-CA 3.44Å; T37-T40 PolarHBondContact O-N 2.92Å; T37-T40 PolarHBondContact O-OG1 3.21Å; T37-T40 WeakPolarHBondContact OG1-CG2 3.49Å; T37-T40 PolarHBondContact OG1-N 2.93Å; T37-T40 PolarHBondContact OG1-OG1 3Å; T37-Q41 PolarHBondContact O-N 3.36Å | ||
| 38 | P | 73.6 | Confident | 73.4 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.2 | -17.7 | -177 | 18.6 | -30.6 | 0 | 0 | 0 | 113.6 | R42 | P38-R42 WeakPolarHBondContact O-CG 3.33Å; P38-R42 PolarHBondContact O-N 2.94Å; P38-R42 PolarHBondContact O-NE 3.25Å |
| 39 | E | 71.3 | Confident | 75.2 | Confident | 127 Ų | 127 | 101.2 Ų | 101.2 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.1 | -45.6 | 168.4 | -54.6 | -146.5 | 119.4 | 0 | 0 | 112.6 | T37 Q41 R42 D43 | T37-E39 CarbonylContact O-C 3.58Å; T37-E39 PolarHBondContact O-N 3.14Å; E39-Q41 PolarHBondContact O-N 3.49Å; E39-R42 PolarHBondContact O-N 3.46Å; E39-R42 IonicContact OE1-NH2 3.28Å; E39-R42 PolarHBondContact OE1-NH2 2.71Å; E39-D43 PolarHBondContact O-N 3.31Å |
| 40 | T | 77.6 | Confident | 77 | Confident | 57 Ų | 57 | 107 Ų | 107 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -32.7 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | L36 T37 D43 Q44 | L36-T40 WeakPolarHBondContact CA-OG1 3.38Å; L36-T40 VanDerWaalsContact CB-OG1 3.29Å; L36-T40 WeakPolarHBondContact CB-OG1 3.47Å; L36-T40 VanDerWaalsContact CD2-OG1 3.31Å; L36-T40 WeakPolarHBondContact CD2-OG1 3.46Å; T37-T40 PolarHBondContact N-OG1 2.92Å; T37-T40 WeakPolarHBondContact O-CA 3.44Å; T37-T40 PolarHBondContact O-N 2.92Å; T37-T40 PolarHBondContact O-OG1 3.21Å; T37-T40 WeakPolarHBondContact OG1-CG2 3.49Å; T37-T40 PolarHBondContact OG1-N 2.93Å; T37-T40 PolarHBondContact OG1-OG1 3Å; T40-D43 PolarHBondContact O-N 3.2Å; T40-Q44 WeakPolarHBondContact O-CB 3.32Å; T40-Q44 PolarHBondContact O-N 3.29Å |
| 41 | Q | 82.1 | Confident | 78.9 | Confident | 106 Ų | 106 | 108.3 Ų | 108.3 | 50% | 0.495 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 172.4 | -69.7 | -173.9 | -17.4 | 0 | 0 | 111.9 | L36 T37 E39 D43 Q44 E45 | L36-Q41 HydrophobicContact CB-CG 3.47Å; L36-Q41 VanDerWaalsContact CB-CG 3.47Å; L36-Q41 HydrophobicContact CD1-CG 4.34Å; T37-Q41 PolarHBondContact O-N 3.36Å; E39-Q41 PolarHBondContact O-N 3.49Å; Q41-D43 VanDerWaalsContact C-N 3.3Å; Q41-D43 PolarHBondContact O-N 2.95Å; Q41-Q44 PolarHBondContact O-N 3.01Å; Q41-E45 PolarHBondContact O-N 3.33Å |
| 42 | R | 84.3 | Confident | 80.7 | Confident | 140 Ų | 140 | 106.1 Ų | 106.1 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.7 | -74.3 | -175.6 | -65 | 134.2 | -2.5 | 112.1 | P38 E39 R46 | P38-R42 WeakPolarHBondContact O-CG 3.33Å; P38-R42 PolarHBondContact O-N 2.94Å; P38-R42 PolarHBondContact O-NE 3.25Å; E39-R42 PolarHBondContact O-N 3.46Å; E39-R42 IonicContact OE1-NH2 3.28Å; E39-R42 PolarHBondContact OE1-NH2 2.71Å; R42-R46 VanDerWaalsContact O-CB 3.29Å; R42-R46 WeakPolarHBondContact O-CB 3.36Å; R42-R46 PolarHBondContact O-N 3.2Å |
| 43 | D | 87.3 | Confident | 82.5 | Confident | 83 Ų | 83 | 106.1 Ų | 106.1 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.3 | -37.3 | 176.5 | -79.9 | -26.5 | 0 | 0 | 0 | 112.8 | E39 T40 Q41 R46 R47 | E39-D43 PolarHBondContact O-N 3.31Å; T40-D43 PolarHBondContact O-N 3.2Å; Q41-D43 VanDerWaalsContact C-N 3.3Å; Q41-D43 PolarHBondContact O-N 2.95Å; D43-R46 PolarHBondContact O-N 3Å; D43-R46 IonicContact OD1-CZ 3.78Å; D43-R46 IonicContact OD1-NH1 2.85Å; D43-R46 PolarHBondContact OD1-NH1 3.46Å; D43-R47 WeakPolarHBondContact O-CB 3.48Å; D43-R47 PolarHBondContact O-N 3.37Å |
| 44 | Q | 87.9 | Confident | 84.6 | Confident | 83 Ų | 83 | 104 Ų | 104 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 171.7 | -174.4 | -179.5 | -0.4 | 0 | 0 | 111 | T40 Q41 R46 R47 I48 | T40-Q44 WeakPolarHBondContact O-CB 3.32Å; T40-Q44 PolarHBondContact O-N 3.29Å; Q41-Q44 PolarHBondContact O-N 3.01Å; Q44-R46 PolarHBondContact O-N 3.45Å; Q44-R47 WeakPolarHBondContact O-CB 3.38Å; Q44-R47 PolarHBondContact O-N 2.93Å; Q44-R47 VanDerWaalsContact O-N 3.14Å; Q44-I48 HydrophobicContact CG-CD1 4.13Å; Q44-I48 WeakPolarHBondContact O-CG1 3.39Å; Q44-I48 PolarHBondContact O-N 2.96Å |
| 45 | E | 93.5 | Very high | 86.4 | Confident | 97 Ų | 97 | 102.9 Ų | 102.9 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 177.5 | -172.2 | 167.9 | 166.2 | 0 | 0 | 111.9 | Q41 R47 I48 R49 | Q41-E45 PolarHBondContact O-N 3.33Å; E45-R47 PolarHBondContact O-N 3.41Å; E45-I48 PolarHBondContact O-N 3.43Å; E45-R49 WeakPolarHBondContact O-CG 3.46Å; E45-R49 PolarHBondContact O-N 2.86Å; E45-R49 IonicContact OE1-CZ 2.87Å; E45-R49 IonicContact OE1-NE 2.93Å; E45-R49 PolarHBondContact OE1-NE 3.32Å; E45-R49 IonicContact OE1-NH2 2.73Å; E45-R49 PolarHBondContact OE1-NH2 3.39Å |
| 46 | R | 95.5 | Very high | 88.4 | Confident | 126 Ų | 126 | 101.7 Ų | 101.7 | 48% | 0.475 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -38.4 | 172 | -175.5 | -174.6 | -71.8 | 156 | -12.3 | 111.4 | R42 D43 Q44 R50 | R42-R46 VanDerWaalsContact O-CB 3.29Å; R42-R46 WeakPolarHBondContact O-CB 3.36Å; R42-R46 PolarHBondContact O-N 3.2Å; D43-R46 PolarHBondContact O-N 3Å; D43-R46 IonicContact OD1-CZ 3.78Å; D43-R46 IonicContact OD1-NH1 2.85Å; D43-R46 PolarHBondContact OD1-NH1 3.46Å; Q44-R46 PolarHBondContact O-N 3.45Å; R46-R50 VanDerWaalsContact O-CG 3.3Å; R46-R50 WeakPolarHBondContact O-CG 3.18Å; R46-R50 PolarHBondContact O-N 3.5Å; R46-R50 VanDerWaalsContact O-N 3.13Å |
| 47 | R | 95.2 | Very high | 90.3 | Very high | 153 Ų | 153 | 103.4 Ų | 103.4 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -47.4 | 175.4 | -176.5 | 178.4 | -179.4 | 160.1 | 5.3 | 111.4 | D43 Q44 E45 R49 R50 E51 | D43-R47 WeakPolarHBondContact O-CB 3.48Å; D43-R47 PolarHBondContact O-N 3.37Å; Q44-R47 WeakPolarHBondContact O-CB 3.38Å; Q44-R47 PolarHBondContact O-N 2.93Å; Q44-R47 VanDerWaalsContact O-N 3.14Å; E45-R47 PolarHBondContact O-N 3.41Å; R47-R49 PolarHBondContact O-N 2.9Å; R47-R50 WeakPolarHBondContact O-CB 3.23Å; R47-R50 PolarHBondContact O-N 3.33Å; R47-R50 VanDerWaalsContact O-N 3.15Å; R47-E51 WeakPolarHBondContact CG-OE1 3.35Å; R47-E51 IonicContact NE-OE1 3.82Å; R47-E51 PolarHBondContact NE-OE1 3.03Å; R47-E51 WeakPolarHBondContact O-CG 3.34Å; R47-E51 PolarHBondContact O-N 2.92Å |
| 48 | I | 95.9 | Very high | 91.7 | Very high | 77 Ų | 77 | 108 Ų | 108 | 40% | 0.395 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 176.8 | -68.3 | 166.3 | 0 | 0 | 0 | 110.7 | Q44 E45 R50 E51 I52 | Q44-I48 HydrophobicContact CG-CD1 4.13Å; Q44-I48 WeakPolarHBondContact O-CG1 3.39Å; Q44-I48 PolarHBondContact O-N 2.96Å; E45-I48 PolarHBondContact O-N 3.43Å; I48-R50 VanDerWaalsContact C-N 3.3Å; I48-R50 PolarHBondContact O-N 3.22Å; I48-E51 PolarHBondContact O-N 3.06Å; I48-E51 VanDerWaalsContact O-N 3.11Å; I48-I52 HydrophobicContact CG2-CD1 3.8Å; I48-I52 HydrophobicContact CG2-CG1 4.37Å; I48-I52 WeakPolarHBondContact O-CG1 3.48Å; I48-I52 PolarHBondContact O-N 3.4Å |
| 49 | R | 97.8 | Very high | 92.9 | Very high | 165 Ų | 165 | 111.2 Ų | 111.2 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.3 | -40.7 | 177.2 | -70.9 | 176.4 | -174.3 | -140.4 | 4.6 | 112.2 | E45 R47 A53 | E45-R49 WeakPolarHBondContact O-CG 3.46Å; E45-R49 PolarHBondContact O-N 2.86Å; E45-R49 IonicContact OE1-CZ 2.87Å; E45-R49 IonicContact OE1-NE 2.93Å; E45-R49 PolarHBondContact OE1-NE 3.32Å; E45-R49 IonicContact OE1-NH2 2.73Å; E45-R49 PolarHBondContact OE1-NH2 3.39Å; R47-R49 PolarHBondContact O-N 2.9Å; R49-A53 WeakPolarHBondContact O-CB 3.25Å; R49-A53 PolarHBondContact O-N 2.99Å |
| 50 | R | 97.8 | Very high | 94.2 | Very high | 160 Ų | 160 | 111.9 Ų | 111.9 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 174.5 | -73 | 171.8 | -179.8 | 179.2 | -0.1 | 111.9 | R46 R47 I48 A53 N54 | R46-R50 VanDerWaalsContact O-CG 3.3Å; R46-R50 WeakPolarHBondContact O-CG 3.18Å; R46-R50 PolarHBondContact O-N 3.5Å; R46-R50 VanDerWaalsContact O-N 3.13Å; R47-R50 WeakPolarHBondContact O-CB 3.23Å; R47-R50 PolarHBondContact O-N 3.33Å; R47-R50 VanDerWaalsContact O-N 3.15Å; I48-R50 VanDerWaalsContact C-N 3.3Å; I48-R50 PolarHBondContact O-N 3.22Å; R50-A53 PolarHBondContact O-N 3.17Å; R50-N54 WeakPolarHBondContact O-CB 3.35Å; R50-N54 PolarHBondContact O-N 3.06Å; R50-N54 PolarHBondContact O-ND2 3.46Å |
| 51 | E | 97.6 | Very high | 95.2 | Very high | 100 Ų | 100 | 112.8 Ų | 112.8 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 177.7 | -73.7 | 172.9 | -171.1 | 0 | 0 | 111.7 | R47 I48 N54 S55 | R47-E51 WeakPolarHBondContact CG-OE1 3.35Å; R47-E51 IonicContact NE-OE1 3.82Å; R47-E51 PolarHBondContact NE-OE1 3.03Å; R47-E51 WeakPolarHBondContact O-CG 3.34Å; R47-E51 PolarHBondContact O-N 2.92Å; I48-E51 PolarHBondContact O-N 3.06Å; I48-E51 VanDerWaalsContact O-N 3.11Å; E51-N54 PolarHBondContact O-N 3.27Å; E51-S55 WeakPolarHBondContact O-CB 3.33Å; E51-S55 PolarHBondContact O-N 2.93Å |
| 52 | I | 97.1 | Very high | 96 | Very high | 103 Ų | 103 | 113.3 Ų | 113.3 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 173.8 | -66.3 | 168.4 | 0 | 0 | 0 | 110.6 | I48 N54 S55 N56 | I48-I52 HydrophobicContact CG2-CD1 3.8Å; I48-I52 HydrophobicContact CG2-CG1 4.37Å; I48-I52 WeakPolarHBondContact O-CG1 3.48Å; I48-I52 PolarHBondContact O-N 3.4Å; I52-N54 PolarHBondContact O-N 2.8Å; I52-S55 WeakPolarHBondContact O-CB 3.4Å; I52-S55 PolarHBondContact O-N 3.13Å; I52-N56 PolarHBondContact O-N 3Å |
| 53 | A | 98.2 | Very high | 96.6 | Very high | 57 Ų | 57 | 110.7 Ų | 110.7 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | R49 R50 S55 N56 E57 | R49-A53 WeakPolarHBondContact O-CB 3.25Å; R49-A53 PolarHBondContact O-N 2.99Å; R50-A53 PolarHBondContact O-N 3.17Å; A53-S55 PolarHBondContact O-N 3.32Å; A53-N56 PolarHBondContact O-N 3.25Å; A53-E57 PolarHBondContact O-N 3.06Å |
| 54 | N | 98.6 | Very high | 97.2 | Very high | 114 Ų | 114 | 109.4 Ų | 109.4 | 61% | 0.61 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -40 | 176.7 | -72.2 | -17.1 | 0 | 0 | 0 | 112.4 | R50 E51 I52 N56 E57 R58 | R50-N54 WeakPolarHBondContact O-CB 3.35Å; R50-N54 PolarHBondContact O-N 3.06Å; R50-N54 PolarHBondContact O-ND2 3.46Å; E51-N54 PolarHBondContact O-N 3.27Å; I52-N54 PolarHBondContact O-N 2.8Å; N54-N56 VanDerWaalsContact C-N 3.34Å; N54-E57 PolarHBondContact O-N 3.23Å; N54-R58 PolarHBondContact O-N 2.83Å |
| 55 | S | 98.6 | Very high | 97.6 | Very high | 70 Ų | 70 | 108.5 Ų | 108.5 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 175 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | E51 I52 A53 R58 R59 | E51-S55 WeakPolarHBondContact O-CB 3.33Å; E51-S55 PolarHBondContact O-N 2.93Å; I52-S55 WeakPolarHBondContact O-CB 3.4Å; I52-S55 PolarHBondContact O-N 3.13Å; A53-S55 PolarHBondContact O-N 3.32Å; S55-R58 PolarHBondContact O-N 3.2Å; S55-R59 PolarHBondContact O-N 2.87Å |
| 56 | N | 98.6 | Very high | 97.9 | Very high | 93 Ų | 93 | 106.5 Ų | 106.5 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 176.6 | -117.9 | -37.9 | 0 | 0 | 0 | 112.2 | I52 A53 N54 R58 R59 R60 | I52-N56 PolarHBondContact O-N 3Å; A53-N56 PolarHBondContact O-N 3.25Å; N54-N56 VanDerWaalsContact C-N 3.34Å; N56-R58 VanDerWaalsContact C-N 3.32Å; N56-R58 PolarHBondContact O-N 2.9Å; N56-R59 WeakPolarHBondContact O-CB 3.36Å; N56-R59 PolarHBondContact O-N 3.38Å; N56-R60 PolarHBondContact O-N 3Å |
| 57 | E | 98.5 | Very high | 98 | Very high | 85 Ų | 85 | 102.5 Ų | 102.5 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 178.1 | -173.2 | 55.3 | -148.1 | 0 | 0 | 112 | A53 N54 R59 R60 M61 | A53-E57 PolarHBondContact O-N 3.06Å; N54-E57 PolarHBondContact O-N 3.23Å; E57-R59 VanDerWaalsContact C-N 3.34Å; E57-R59 PolarHBondContact O-N 2.9Å; E57-R60 PolarHBondContact O-N 2.85Å; E57-R60 IonicContact OE1-NH1 3.27Å; E57-R60 PolarHBondContact OE1-NH1 2.77Å; E57-R60 IonicContact OE2-NH1 3.89Å; E57-M61 WeakPolarHBondContact O-CB 3.27Å; E57-M61 PolarHBondContact O-N 3.46Å |
| 58 | R | 98.6 | Very high | 98.1 | Very high | 175 Ų | 175 | 97 Ų | 97 | 66% | 0.66 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 173.5 | -174.5 | -176.4 | -62.8 | -85.1 | -0.1 | 111.2 | N54 S55 N56 M61 Q62 | N54-R58 PolarHBondContact O-N 2.83Å; S55-R58 PolarHBondContact O-N 3.2Å; N56-R58 VanDerWaalsContact C-N 3.32Å; N56-R58 PolarHBondContact O-N 2.9Å; R58-M61 PolarHBondContact O-N 3.31Å; R58-Q62 WeakPolarHBondContact O-CB 3.33Å; R58-Q62 VanDerWaalsContact O-CG 3.29Å; R58-Q62 WeakPolarHBondContact O-CG 3.41Å; R58-Q62 PolarHBondContact O-N 3.3Å |
| 59 | R | 98.7 | Very high | 98.1 | Very high | 164 Ų | 164 | 99 Ų | 99 | 62% | 0.619 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | 177.1 | -173.8 | -173.7 | -63.6 | 178.8 | -0.6 | 111.4 | S55 N56 E57 M61 Q62 S63 | S55-R59 PolarHBondContact O-N 2.87Å; N56-R59 WeakPolarHBondContact O-CB 3.36Å; N56-R59 PolarHBondContact O-N 3.38Å; E57-R59 VanDerWaalsContact C-N 3.34Å; E57-R59 PolarHBondContact O-N 2.9Å; R59-M61 VanDerWaalsContact C-N 3.33Å; R59-M61 PolarHBondContact O-N 2.85Å; R59-Q62 WeakPolarHBondContact O-CB 3.4Å; R59-Q62 PolarHBondContact O-N 3.23Å; R59-S63 PolarHBondContact O-N 2.92Å |
| 60 | R | 98.6 | Very high | 98 | Very high | 141 Ų | 141 | 94.7 Ų | 94.7 | 53% | 0.532 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 175 | -180 | 178.2 | 172.5 | -86.7 | -4 | 111.1 | N56 E57 Q62 S63 I64 | N56-R60 PolarHBondContact O-N 3Å; E57-R60 PolarHBondContact O-N 2.85Å; E57-R60 IonicContact OE1-NH1 3.27Å; E57-R60 PolarHBondContact OE1-NH1 2.77Å; E57-R60 IonicContact OE2-NH1 3.89Å; R60-Q62 PolarHBondContact O-N 3.42Å; R60-S63 PolarHBondContact O-N 3.44Å; R60-I64 HydrophobicContact CG-CD1 4Å; R60-I64 WeakPolarHBondContact O-CG1 3.47Å; R60-I64 PolarHBondContact O-N 3.27Å |
| 61 | M | 98.6 | Very high | 98 | Very high | 77 Ų | 77 | 89.4 Ų | 89.4 | 38% | 0.379 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 178.8 | -165.6 | 62.6 | 59.3 | 0 | 0 | 112.4 | E57 R58 R59 I64 N65 | E57-M61 WeakPolarHBondContact O-CB 3.27Å; E57-M61 PolarHBondContact O-N 3.46Å; R58-M61 PolarHBondContact O-N 3.31Å; R59-M61 VanDerWaalsContact C-N 3.33Å; R59-M61 PolarHBondContact O-N 2.85Å; M61-I64 PolarHBondContact O-N 3.41Å; M61-N65 WeakPolarHBondContact O-CB 3.35Å; M61-N65 PolarHBondContact O-N 3.43Å; M61-N65 PolarHBondContact O-ND2 3.01Å |
| 62 | Q | 98.4 | Very high | 97.9 | Very high | 117 Ų | 117 | 86.2 Ų | 86.2 | 55% | 0.547 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 173.7 | -75.6 | 171.2 | -14.9 | 0 | 0 | 111.7 | R58 R59 R60 I64 N65 A66 | R58-Q62 WeakPolarHBondContact O-CB 3.33Å; R58-Q62 VanDerWaalsContact O-CG 3.29Å; R58-Q62 WeakPolarHBondContact O-CG 3.41Å; R58-Q62 PolarHBondContact O-N 3.3Å; R59-Q62 WeakPolarHBondContact O-CB 3.4Å; R59-Q62 PolarHBondContact O-N 3.23Å; R60-Q62 PolarHBondContact O-N 3.42Å; Q62-I64 PolarHBondContact O-N 2.97Å; Q62-N65 PolarHBondContact O-N 3.49Å; Q62-A66 WeakPolarHBondContact O-CB 3.31Å; Q62-A66 PolarHBondContact O-N 3.26Å |
| 63 | S | 98.6 | Very high | 97.8 | Very high | 84 Ų | 84 | 86.3 Ų | 86.3 | 59% | 0.587 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 177.3 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | R59 R60 A66 G67 | R59-S63 PolarHBondContact O-N 2.92Å; R60-S63 PolarHBondContact O-N 3.44Å; S63-A66 PolarHBondContact O-N 3.35Å; S63-G67 PolarHBondContact O-N 3.48Å |
| 64 | I | 98.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 89.7 Ų | 89.7 | 29% | 0.287 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 176.3 | -69.4 | 168.7 | 0 | 0 | 0 | 110.1 | R60 M61 Q62 A66 G67 F68 | R60-I64 HydrophobicContact CG-CD1 4Å; R60-I64 WeakPolarHBondContact O-CG1 3.47Å; R60-I64 PolarHBondContact O-N 3.27Å; M61-I64 PolarHBondContact O-N 3.41Å; Q62-I64 PolarHBondContact O-N 2.97Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 2.91Å; I64-G67 PolarHBondContact O-N 3.4Å; I64-G67 VanDerWaalsContact O-N 3.16Å; I64-F68 HydrophobicContact CG2-CD2 3.83Å; I64-F68 HydrophobicContact CG2-CE2 3.76Å; I64-F68 WeakPolarHBondContact O-CD2 3.49Å; I64-F68 PolarHBondContact O-N 2.97Å |
| 65 | N | 97.9 | Very high | 97.5 | Very high | 65 Ų | 65 | 84.7 Ų | 84.7 | 35% | 0.348 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 178.8 | -70.4 | -20.4 | 0 | 0 | 0 | 112 | M61 Q62 F68 Q69 K85 | M61-N65 WeakPolarHBondContact O-CB 3.35Å; M61-N65 PolarHBondContact O-N 3.43Å; M61-N65 PolarHBondContact O-ND2 3.01Å; Q62-N65 PolarHBondContact O-N 3.49Å; N65-F68 PolarHBondContact O-N 3.28Å; N65-Q69 WeakPolarHBondContact O-CG 3.4Å; N65-Q69 PolarHBondContact O-N 2.94Å; N65-Q69 VanDerWaalsContact O-N 3.12Å; N65-K85 WeakPolarHBondContact OD1-CE 3.27Å; N65-K85 PolarHBondContact OD1-NZ 3.2Å |
| 66 | A | 98.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 85.4 Ų | 85.4 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q62 S63 I64 F68 Q69 S70 | Q62-A66 WeakPolarHBondContact O-CB 3.31Å; Q62-A66 PolarHBondContact O-N 3.26Å; S63-A66 PolarHBondContact O-N 3.35Å; I64-A66 VanDerWaalsContact C-N 3.31Å; I64-A66 PolarHBondContact O-N 2.91Å; A66-F68 VanDerWaalsContact C-N 3.34Å; A66-F68 PolarHBondContact O-N 3.44Å; A66-Q69 PolarHBondContact O-N 2.7Å; A66-Q69 VanDerWaalsContact O-N 3.09Å; A66-S70 PolarHBondContact O-N 2.79Å; A66-S70 PolarHBondContact O-OG 3.42Å |
| 67 | G | 98.2 | Very high | 96.7 | Very high | 41 Ų | 41 | 83.3 Ų | 83.3 | 42% | 0.423 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S63 I64 Q69 S70 L71 | S63-G67 PolarHBondContact O-N 3.48Å; I64-G67 PolarHBondContact O-N 3.4Å; I64-G67 VanDerWaalsContact O-N 3.16Å; G67-Q69 VanDerWaalsContact C-N 3.31Å; G67-Q69 PolarHBondContact O-N 3.31Å; G67-S70 PolarHBondContact O-N 3.49Å; G67-L71 WeakPolarHBondContact O-CB 3.29Å; G67-L71 PolarHBondContact O-N 3.32Å |
| 68 | F | 97.7 | Very high | 95.9 | Very high | 37 Ų | 37 | 83.8 Ų | 83.8 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61.4 | -38 | 174.1 | -89.5 | -78.4 | 0 | 0 | 0 | 112.9 | I64 N65 A66 K72 K85 I88 L89 | I64-F68 HydrophobicContact CG2-CD2 3.83Å; I64-F68 HydrophobicContact CG2-CE2 3.76Å; I64-F68 WeakPolarHBondContact O-CD2 3.49Å; I64-F68 PolarHBondContact O-N 2.97Å; N65-F68 PolarHBondContact O-N 3.28Å; A66-F68 VanDerWaalsContact C-N 3.34Å; A66-F68 PolarHBondContact O-N 3.44Å; F68-K72 WeakPolarHBondContact O-CB 3.28Å; F68-K72 PolarHBondContact O-N 2.9Å; F68-K85 HydrophobicContact CD1-CB 4.19Å; F68-K85 HydrophobicContact CD1-CG 4.02Å; F68-K85 HydrophobicContact CD2-CD 4.18Å; F68-K85 HydrophobicContact CD2-CG 4.32Å; F68-K85 HydrophobicContact CE1-CB 3.7Å; F68-K85 HydrophobicContact CE1-CD 4.46Å; F68-K85 HydrophobicContact CE1-CG 3.94Å; F68-K85 HydrophobicContact CE2-CD 3.95Å; F68-K85 HydrophobicContact CE2-CG 4.28Å; F68-K85 HydrophobicContact CG-CG 4.21Å; F68-K85 HydrophobicContact CZ-CB 3.95Å; F68-K85 HydrophobicContact CZ-CD 4.1Å; F68-K85 HydrophobicContact CZ-CG 4.09Å; F68-I88 HydrophobicContact CD1-CB 4.3Å; F68-I88 HydrophobicContact CD1-CD1 4.15Å; F68-I88 HydrophobicContact CD1-CG2 4.11Å; F68-L89 HydrophobicContact CE1-CD1 4.27Å; F68-L89 HydrophobicContact CE1-CD2 3.99Å; F68-L89 HydrophobicContact CE1-CG 3.89Å; F68-L89 HydrophobicContact CZ-CD1 4.22Å; F68-L89 HydrophobicContact CZ-CD2 4.31Å; F68-L89 HydrophobicContact CZ-CG 4.3Å |
| 69 | Q | 95.6 | Very high | 94.7 | Very high | 119 Ų | 119 | 83.3 Ų | 83.3 | 56% | 0.556 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69 | -43.4 | 177.2 | -63.4 | -67.2 | 42.4 | 0 | 0 | 111.6 | N65 A66 G67 L71 K72 T73 | N65-Q69 WeakPolarHBondContact O-CG 3.4Å; N65-Q69 PolarHBondContact O-N 2.94Å; N65-Q69 VanDerWaalsContact O-N 3.12Å; A66-Q69 PolarHBondContact O-N 2.7Å; A66-Q69 VanDerWaalsContact O-N 3.09Å; G67-Q69 VanDerWaalsContact C-N 3.31Å; G67-Q69 PolarHBondContact O-N 3.31Å; Q69-L71 VanDerWaalsContact C-N 3.33Å; Q69-L71 PolarHBondContact O-N 3.48Å; Q69-K72 WeakPolarHBondContact O-CB 3.4Å; Q69-K72 PolarHBondContact O-N 2.89Å; Q69-T73 WeakPolarHBondContact O-CG2 3.45Å; Q69-T73 PolarHBondContact O-N 2.97Å |
| 70 | S | 96.5 | Very high | 93.7 | Very high | 75 Ų | 75 | 79 Ų | 79 | 52% | 0.524 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 173.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | A66 G67 K72 T73 | A66-S70 PolarHBondContact O-N 2.79Å; A66-S70 PolarHBondContact O-OG 3.42Å; G67-S70 PolarHBondContact O-N 3.49Å; S70-K72 VanDerWaalsContact C-N 3.32Å; S70-K72 PolarHBondContact O-N 2.97Å; S70-T73 PolarHBondContact O-N 2.96Å; S70-T73 PolarHBondContact O-OG1 3.35Å |
| 71 | L | 97 | Very high | 93.1 | Very high | 50 Ų | 50 | 76.1 Ų | 76.1 | 26% | 0.262 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 179 | -176.8 | 56.8 | 0 | 0 | 0 | 111.8 | G67 Q69 T73 L74 I75 I88 L89 T92 | G67-L71 WeakPolarHBondContact O-CB 3.29Å; G67-L71 PolarHBondContact O-N 3.32Å; Q69-L71 VanDerWaalsContact C-N 3.33Å; Q69-L71 PolarHBondContact O-N 3.48Å; L71-T73 VanDerWaalsContact C-N 3.27Å; L71-T73 PolarHBondContact O-N 3.35Å; L71-L74 PolarHBondContact O-N 3.25Å; L71-L74 VanDerWaalsContact O-N 3.07Å; L71-I75 HydrophobicContact CG-CD1 4.32Å; L71-I75 WeakPolarHBondContact O-CG1 3.43Å; L71-I88 HydrophobicContact CB-CG2 4.29Å; L71-I88 HydrophobicContact CD2-CG2 3.83Å; L71-I88 HydrophobicContact CG-CG2 3.89Å; L71-L89 HydrophobicContact CD2-CD2 4.35Å; L71-T92 HydrophobicContact CD1-CG2 3.81Å; L71-T92 HydrophobicContact CD2-CG2 4.34Å; L71-T92 WeakPolarHBondContact CD2-OG1 3.35Å; L71-T92 HydrophobicContact CG-CG2 4.45Å |
| 72 | K | 95.7 | Very high | 92.8 | Very high | 32 Ų | 32 | 82.2 Ų | 82.2 | 14% | 0.139 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -54.5 | -43.3 | 176.9 | -168.2 | -171.6 | 174.2 | -155.5 | 0 | 111.9 | F68 Q69 S70 L74 I75 H77 E81 L83 I88 | F68-K72 WeakPolarHBondContact O-CB 3.28Å; F68-K72 PolarHBondContact O-N 2.9Å; Q69-K72 WeakPolarHBondContact O-CB 3.4Å; Q69-K72 PolarHBondContact O-N 2.89Å; S70-K72 VanDerWaalsContact C-N 3.32Å; S70-K72 PolarHBondContact O-N 2.97Å; K72-L74 PolarHBondContact O-N 3.16Å; K72-I75 PolarHBondContact O-N 3.37Å; K72-H77 PolarHBondContact O-CE1 3.12Å; K72-H77 PolarHBondContact O-ND1 3.39Å; K72-E81 WeakPolarHBondContact CE-O 3.48Å; K72-E81 PolarHBondContact NZ-O 3.42Å; K72-L83 HydrophobicContact CG-CD1 4.17Å; K72-I88 HydrophobicContact CB-CD1 4.13Å; K72-I88 HydrophobicContact CB-CG1 4.41Å; K72-I88 HydrophobicContact CD-CD1 4.37Å; K72-I88 HydrophobicContact CG-CD1 4.27Å; K72-I88 HydrophobicContact CG-CG1 4.33Å |
| 73 | T | 94.3 | Very high | 92.5 | Very high | 106 Ų | 106 | 78.1 Ų | 78.1 | 65% | 0.65 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64 | -19.9 | -179.5 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | Q69 S70 L71 | Q69-T73 WeakPolarHBondContact O-CG2 3.45Å; Q69-T73 PolarHBondContact O-N 2.97Å; S70-T73 PolarHBondContact O-N 2.96Å; S70-T73 PolarHBondContact O-OG1 3.35Å; L71-T73 VanDerWaalsContact C-N 3.27Å; L71-T73 PolarHBondContact O-N 3.35Å |
| 74 | L | 95.1 | Very high | 92.4 | Very high | 127 Ų | 127 | 77.3 Ų | 77.3 | 67% | 0.665 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -91.3 | -13.8 | -178.5 | -62.7 | 176.2 | 0 | 0 | 0 | 113.5 | L71 K72 | L71-L74 PolarHBondContact O-N 3.25Å; L71-L74 VanDerWaalsContact O-N 3.07Å; K72-L74 PolarHBondContact O-N 3.16Å |
| 75 | I | 95.1 | Very high | 92.3 | Very high | 10 Ų | 10 | 79.1 Ų | 79.1 | 5% | 0.051 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -94 | 140.7 | -178.7 | -54.8 | 161.9 | 0 | 0 | 0 | 108 | L71 K72 H77 I88 Q91 T92 | L71-I75 HydrophobicContact CG-CD1 4.32Å; L71-I75 WeakPolarHBondContact O-CG1 3.43Å; K72-I75 PolarHBondContact O-N 3.37Å; I75-H77 PolarHBondContact O-N 3.36Å; I75-H77 PolarHBondContact O-ND1 2.86Å; I75-I88 HydrophobicContact CD1-CG2 3.93Å; I75-I88 WeakPolarHBondContact CD1-O 3.28Å; I75-Q91 HydrophobicContact CG2-CB 3.81Å; I75-T92 WeakPolarHBondContact CD1-OG1 3.49Å |
| 76 | P | 93.3 | Very high | 92.3 | Very high | 84 Ų | 84 | 79.4 Ų | 79.4 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | trans | -58.5 | 112.6 | 170.5 | -21.9 | 32.8 | 0 | 0 | 0 | 111 | Y95 | P76-Y95 HydrophobicContact CG-CD2 3.86Å; P76-Y95 HydrophobicContact CG-CE1 4.29Å; P76-Y95 HydrophobicContact CG-CE2 3.55Å; P76-Y95 HydrophobicContact CG-CG 4.38Å | ||
| 77 | H | 88.3 | Confident | 92.3 | Very high | 50 Ų | 50 | 78.1 Ų | 78.1 | 23% | 0.231 | 46% | 0.455 | C | S | . | . | trans | -153.1 | 168.2 | 175.2 | 68.5 | -71.3 | 0 | 0 | 0 | 110 | K72 I75 L83 | K72-H77 PolarHBondContact O-CE1 3.12Å; K72-H77 PolarHBondContact O-ND1 3.39Å; I75-H77 PolarHBondContact O-N 3.36Å; I75-H77 PolarHBondContact O-ND1 2.86Å; H77-L83 HydrophobicContact CB-CD1 4.05Å | ||
| 78 | T | 82.3 | Confident | 92.2 | Very high | 95 Ų | 95 | 76.5 Ų | 76.5 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | trans | -86.5 | 135.3 | 177.7 | 56 | 0 | 0 | 0 | 0 | 111.5 | G80 E81 | T78-G80 PolarHBondContact O-N 3.26Å; T78-E81 PolarHBondContact N-OE2 3.04Å; T78-E81 WeakPolarHBondContact O-CB 3.3Å; T78-E81 PolarHBondContact O-N 3.32Å; T78-E81 WeakPolarHBondContact OG1-CB 3.48Å; T78-E81 PolarHBondContact OG1-OE2 3.49Å | ||
| 79 | D | 72.9 | Confident | 92.3 | Very high | 165 Ų | 165 | 79.3 Ų | 79.3 | 88% | 0.882 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 126.7 | 178.2 | -82.4 | -31.3 | 0 | 0 | 0 | 110.6 | ||
| 80 | G | 77.1 | Confident | 92.4 | Very high | 74 Ų | 74 | 79 Ų | 79 | 76% | 0.763 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92 | -7.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | T78 | T78-G80 PolarHBondContact O-N 3.26Š|
| 81 | E | 86.1 | Confident | 92.4 | Very high | 80 Ų | 80 | 78 Ų | 78 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | trans | -68.3 | 133.1 | 175.3 | -171.7 | 172.7 | -172.6 | 0 | 0 | 111.7 | K72 T78 L83 | K72-E81 WeakPolarHBondContact CE-O 3.48Å; K72-E81 PolarHBondContact NZ-O 3.42Å; T78-E81 PolarHBondContact N-OE2 3.04Å; T78-E81 WeakPolarHBondContact O-CB 3.3Å; T78-E81 PolarHBondContact O-N 3.32Å; T78-E81 WeakPolarHBondContact OG1-CB 3.48Å; T78-E81 PolarHBondContact OG1-OE2 3.49Å; E81-L83 HydrophobicContact CG-CD2 4.24Å; E81-L83 PolarHBondContact O-N 3.06Å | ||
| 82 | K | 91.4 | Very high | 92.4 | Very high | 204 Ų | 204 | 76.6 Ų | 76.6 | 89% | 0.887 | 43% | 0.432 | S | S | * | . | trans | -91.4 | 95.3 | 179.5 | -70.4 | -175.4 | 179.8 | 177 | 0 | 110.6 | ||||
| 83 | L | 92.8 | Very high | 92.6 | Very high | 31 Ų | 31 | 77.8 Ų | 77.8 | 16% | 0.162 | 45% | 0.448 | C | S | . | . | trans | -85.9 | 136.4 | 173.1 | -61.2 | 176.4 | 0 | 0 | 0 | 111.3 | K72 H77 E81 A87 I88 | K72-L83 HydrophobicContact CG-CD1 4.17Å; H77-L83 HydrophobicContact CB-CD1 4.05Å; E81-L83 HydrophobicContact CG-CD2 4.24Å; E81-L83 PolarHBondContact O-N 3.06Å; L83-A87 HydrophobicContact CB-CB 4.48Å; L83-A87 HydrophobicContact CD2-CB 4.43Å; L83-I88 HydrophobicContact CB-CD1 4.31Å; L83-I88 HydrophobicContact CB-CG1 3.72Å; L83-I88 HydrophobicContact CD1-CG1 4.37Å | ||
| 84 | S | 96.6 | Very high | 92.7 | Very high | 68 Ų | 68 | 77.8 Ų | 77.8 | 48% | 0.476 | 44% | 0.441 | S | S | . | . | trans | -74.2 | 161.2 | 170.9 | 76.1 | 0 | 0 | 0 | 0 | 110.6 | A86 A87 I88 | S84-A86 PolarHBondContact O-N 2.95Å; S84-A87 PolarHBondContact O-N 2.97Å; S84-A87 VanDerWaalsContact O-N 3.13Å; S84-A87 WeakPolarHBondContact OG-CB 3.32Å; S84-A87 PolarHBondContact OG-N 3.38Å; S84-A87 VanDerWaalsContact OG-N 3.1Å; S84-I88 WeakPolarHBondContact O-CG1 3.48Å; S84-I88 PolarHBondContact O-N 2.89Å | ||
| 85 | K | 97.2 | Very high | 92.9 | Very high | 94 Ų | 94 | 75.8 Ų | 75.8 | 41% | 0.409 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.6 | -40.4 | 176.1 | -70.3 | -175.4 | 176.5 | -175.7 | 0 | 112.3 | N65 F68 I88 L89 | N65-K85 WeakPolarHBondContact OD1-CE 3.27Å; N65-K85 PolarHBondContact OD1-NZ 3.2Å; F68-K85 HydrophobicContact CD1-CB 4.19Å; F68-K85 HydrophobicContact CD1-CG 4.02Å; F68-K85 HydrophobicContact CD2-CD 4.18Å; F68-K85 HydrophobicContact CD2-CG 4.32Å; F68-K85 HydrophobicContact CE1-CB 3.7Å; F68-K85 HydrophobicContact CE1-CD 4.46Å; F68-K85 HydrophobicContact CE1-CG 3.94Å; F68-K85 HydrophobicContact CE2-CD 3.95Å; F68-K85 HydrophobicContact CE2-CG 4.28Å; F68-K85 HydrophobicContact CG-CG 4.21Å; F68-K85 HydrophobicContact CZ-CB 3.95Å; F68-K85 HydrophobicContact CZ-CD 4.1Å; F68-K85 HydrophobicContact CZ-CG 4.09Å; K85-I88 PolarHBondContact O-N 3.01Å; K85-L89 WeakPolarHBondContact O-CG 3.45Å; K85-L89 PolarHBondContact O-N 2.86Å; K85-L89 VanDerWaalsContact O-N 3.14Å |
| 86 | A | 97.9 | Very high | 93 | Very high | 70 Ų | 70 | 79.3 Ų | 79.3 | 58% | 0.579 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S84 I88 L89 Q90 | S84-A86 PolarHBondContact O-N 2.95Å; A86-I88 PolarHBondContact O-N 3.02Å; A86-L89 PolarHBondContact O-N 3.36Å; A86-Q90 WeakPolarHBondContact O-CB 3.26Å; A86-Q90 PolarHBondContact O-N 2.92Å |
| 87 | A | 96.8 | Very high | 93.3 | Very high | 29 Ų | 29 | 81.1 Ų | 81.1 | 24% | 0.24 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | L83 S84 L89 Q90 Q91 | L83-A87 HydrophobicContact CB-CB 4.48Å; L83-A87 HydrophobicContact CD2-CB 4.43Å; S84-A87 PolarHBondContact O-N 2.97Å; S84-A87 VanDerWaalsContact O-N 3.13Å; S84-A87 WeakPolarHBondContact OG-CB 3.32Å; S84-A87 PolarHBondContact OG-N 3.38Å; S84-A87 VanDerWaalsContact OG-N 3.1Å; A87-L89 PolarHBondContact O-N 2.83Å; A87-Q90 PolarHBondContact O-N 2.88Å; A87-Q91 WeakPolarHBondContact O-CB 3.5Å; A87-Q91 WeakPolarHBondContact O-CG 3.46Å; A87-Q91 PolarHBondContact O-N 3.19Å |
| 88 | I | 97.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 81.6 Ų | 81.6 | 3% | 0.031 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 175.2 | -66.7 | 166.9 | 0 | 0 | 0 | 110.1 | F68 L71 K72 I75 L83 S84 K85 A86 T92 | F68-I88 HydrophobicContact CD1-CB 4.3Å; F68-I88 HydrophobicContact CD1-CD1 4.15Å; F68-I88 HydrophobicContact CD1-CG2 4.11Å; L71-I88 HydrophobicContact CB-CG2 4.29Å; L71-I88 HydrophobicContact CD2-CG2 3.83Å; L71-I88 HydrophobicContact CG-CG2 3.89Å; K72-I88 HydrophobicContact CB-CD1 4.13Å; K72-I88 HydrophobicContact CB-CG1 4.41Å; K72-I88 HydrophobicContact CD-CD1 4.37Å; K72-I88 HydrophobicContact CG-CD1 4.27Å; K72-I88 HydrophobicContact CG-CG1 4.33Å; I75-I88 HydrophobicContact CD1-CG2 3.93Å; I75-I88 WeakPolarHBondContact CD1-O 3.28Å; L83-I88 HydrophobicContact CB-CD1 4.31Å; L83-I88 HydrophobicContact CB-CG1 3.72Å; L83-I88 HydrophobicContact CD1-CG1 4.37Å; S84-I88 WeakPolarHBondContact O-CG1 3.48Å; S84-I88 PolarHBondContact O-N 2.89Å; K85-I88 PolarHBondContact O-N 3.01Å; A86-I88 PolarHBondContact O-N 3.02Å; I88-T92 WeakPolarHBondContact O-CB 3.44Å; I88-T92 PolarHBondContact O-N 3.41Å; I88-T92 PolarHBondContact O-OG1 3.08Å |
| 89 | L | 98.4 | Very high | 94.5 | Very high | 97 Ų | 97 | 80.5 Ų | 80.5 | 51% | 0.508 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 179.5 | -65.8 | 174.1 | 0 | 0 | 0 | 112.3 | F68 L71 K85 A86 A87 T92 A93 | F68-L89 HydrophobicContact CE1-CD1 4.27Å; F68-L89 HydrophobicContact CE1-CD2 3.99Å; F68-L89 HydrophobicContact CE1-CG 3.89Å; F68-L89 HydrophobicContact CZ-CD1 4.22Å; F68-L89 HydrophobicContact CZ-CD2 4.31Å; F68-L89 HydrophobicContact CZ-CG 4.3Å; L71-L89 HydrophobicContact CD2-CD2 4.35Å; K85-L89 WeakPolarHBondContact O-CG 3.45Å; K85-L89 PolarHBondContact O-N 2.86Å; K85-L89 VanDerWaalsContact O-N 3.14Å; A86-L89 PolarHBondContact O-N 3.36Å; A87-L89 PolarHBondContact O-N 2.83Å; L89-T92 WeakPolarHBondContact O-CB 3.42Å; L89-T92 PolarHBondContact O-N 2.86Å; L89-A93 PolarHBondContact O-N 3.48Å |
| 90 | Q | 97.8 | Very high | 95.7 | Very high | 111 Ų | 111 | 77.9 Ų | 77.9 | 52% | 0.519 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.4 | -51.4 | 179.7 | -174.5 | 61.6 | 33.1 | 0 | 0 | 111.4 | A86 A87 T92 A93 E94 | A86-Q90 WeakPolarHBondContact O-CB 3.26Å; A86-Q90 PolarHBondContact O-N 2.92Å; A87-Q90 PolarHBondContact O-N 2.88Å; Q90-T92 VanDerWaalsContact C-N 3.27Å; Q90-T92 PolarHBondContact O-N 3.4Å; Q90-A93 PolarHBondContact O-N 2.68Å; Q90-A93 VanDerWaalsContact O-N 3.15Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.29Å; Q90-E94 PolarHBondContact NE2-OE1 3.27Å; Q90-E94 WeakPolarHBondContact O-CG 3.34Å; Q90-E94 PolarHBondContact O-N 3.09Å |
| 91 | Q | 96.9 | Very high | 96.7 | Very high | 54 Ų | 54 | 79.2 Ų | 79.2 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 177.9 | -69 | -179.5 | 6.6 | 0 | 0 | 111.8 | I75 A87 Y95 | I75-Q91 HydrophobicContact CG2-CB 3.81Å; A87-Q91 WeakPolarHBondContact O-CB 3.5Å; A87-Q91 WeakPolarHBondContact O-CG 3.46Å; A87-Q91 PolarHBondContact O-N 3.19Å; Q91-Y95 WeakPolarHBondContact O-CB 3.44Å; Q91-Y95 PolarHBondContact O-N 3.17Å |
| 92 | T | 98.2 | Very high | 97.3 | Very high | 22 Ų | 22 | 80.5 Ų | 80.5 | 14% | 0.135 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.5 | -49.2 | 173.1 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | L71 I75 I88 L89 Q90 Y95 I96 | L71-T92 HydrophobicContact CD1-CG2 3.81Å; L71-T92 HydrophobicContact CD2-CG2 4.34Å; L71-T92 WeakPolarHBondContact CD2-OG1 3.35Å; L71-T92 HydrophobicContact CG-CG2 4.45Å; I75-T92 WeakPolarHBondContact CD1-OG1 3.49Å; I88-T92 WeakPolarHBondContact O-CB 3.44Å; I88-T92 PolarHBondContact O-N 3.41Å; I88-T92 PolarHBondContact O-OG1 3.08Å; L89-T92 WeakPolarHBondContact O-CB 3.42Å; L89-T92 PolarHBondContact O-N 2.86Å; Q90-T92 VanDerWaalsContact C-N 3.27Å; Q90-T92 PolarHBondContact O-N 3.4Å; T92-Y95 PolarHBondContact O-N 3.05Å; T92-I96 HydrophobicContact CG2-CD1 3.79Å; T92-I96 HydrophobicContact CG2-CG1 4.39Å; T92-I96 VanDerWaalsContact O-CG1 3.3Å; T92-I96 WeakPolarHBondContact O-CG1 3.45Å; T92-I96 PolarHBondContact O-N 3.18Å |
| 93 | A | 98.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 78.2 Ų | 78.2 | 46% | 0.463 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L89 Q90 Y95 I96 F97 | L89-A93 PolarHBondContact O-N 3.48Å; Q90-A93 PolarHBondContact O-N 2.68Å; Q90-A93 VanDerWaalsContact O-N 3.15Å; A93-Y95 VanDerWaalsContact C-N 3.34Å; A93-Y95 PolarHBondContact O-N 2.93Å; A93-I96 PolarHBondContact O-N 3.2Å; A93-F97 WeakPolarHBondContact O-CB 3.2Å; A93-F97 PolarHBondContact O-N 2.95Å |
| 94 | E | 97.7 | Very high | 97.9 | Very high | 107 Ų | 107 | 80.3 Ų | 80.3 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.4 | -71.6 | 169.9 | -165.3 | 0 | 0 | 111.9 | Q90 F97 S98 | Q90-E94 WeakPolarHBondContact CG-OE1 3.29Å; Q90-E94 PolarHBondContact NE2-OE1 3.27Å; Q90-E94 WeakPolarHBondContact O-CG 3.34Å; Q90-E94 PolarHBondContact O-N 3.09Å; E94-F97 PolarHBondContact O-N 2.87Å; E94-S98 WeakPolarHBondContact O-CB 3.34Å; E94-S98 PolarHBondContact O-N 3.24Å |
| 95 | Y | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 85 Ų | 85 | 33% | 0.329 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 179.4 | -174.4 | -129.9 | 0 | 0 | 0 | 112.1 | P76 Q91 T92 A93 F97 S98 L99 | P76-Y95 HydrophobicContact CG-CD2 3.86Å; P76-Y95 HydrophobicContact CG-CE1 4.29Å; P76-Y95 HydrophobicContact CG-CE2 3.55Å; P76-Y95 HydrophobicContact CG-CG 4.38Å; Q91-Y95 WeakPolarHBondContact O-CB 3.44Å; Q91-Y95 PolarHBondContact O-N 3.17Å; T92-Y95 PolarHBondContact O-N 3.05Å; A93-Y95 VanDerWaalsContact C-N 3.34Å; A93-Y95 PolarHBondContact O-N 2.93Å; Y95-F97 VanDerWaalsContact C-N 3.34Å; Y95-F97 PolarHBondContact O-N 3.39Å; Y95-S98 WeakPolarHBondContact O-CB 3.38Å; Y95-S98 PolarHBondContact O-N 3.47Å; Y95-L99 HydrophobicContact CD1-CD1 4.01Å; Y95-L99 HydrophobicContact CD2-CG 4.31Å; Y95-L99 HydrophobicContact CE1-CD1 3.65Å; Y95-L99 HydrophobicContact CE1-CG 4.35Å; Y95-L99 HydrophobicContact CE2-CD1 4.18Å; Y95-L99 HydrophobicContact CE2-CD2 4.08Å; Y95-L99 HydrophobicContact CE2-CG 3.97Å; Y95-L99 HydrophobicContact CG-CD1 4.42Å; Y95-L99 WeakPolarHBondContact O-CG 3.31Å; Y95-L99 PolarHBondContact O-N 3.49Å |
| 96 | I | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 84.4 Ų | 84.4 | 43% | 0.431 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.9 | -48.6 | 172.9 | -70.4 | 169.7 | 0 | 0 | 0 | 110.1 | T92 A93 S98 L99 E100 | T92-I96 HydrophobicContact CG2-CD1 3.79Å; T92-I96 HydrophobicContact CG2-CG1 4.39Å; T92-I96 VanDerWaalsContact O-CG1 3.3Å; T92-I96 WeakPolarHBondContact O-CG1 3.45Å; T92-I96 PolarHBondContact O-N 3.18Å; A93-I96 PolarHBondContact O-N 3.2Å; I96-S98 VanDerWaalsContact C-N 3.3Å; I96-S98 PolarHBondContact O-N 2.96Å; I96-L99 PolarHBondContact O-N 3.46Å; I96-L99 VanDerWaalsContact O-N 3.16Å; I96-E100 HydrophobicContact CG2-CG 4.33Å; I96-E100 WeakPolarHBondContact O-CG 3.22Å; I96-E100 PolarHBondContact O-N 2.96Å |
| 97 | F | 98.6 | Very high | 98 | Very high | 123 Ų | 123 | 86.4 Ų | 86.4 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 178.7 | -179.3 | -110.6 | 0 | 0 | 0 | 112.6 | A93 E94 Y95 Q101 | A93-F97 WeakPolarHBondContact O-CB 3.2Å; A93-F97 PolarHBondContact O-N 2.95Å; E94-F97 PolarHBondContact O-N 2.87Å; Y95-F97 VanDerWaalsContact C-N 3.34Å; Y95-F97 PolarHBondContact O-N 3.39Å; F97-Q101 HydrophobicContact CE1-CG 4.42Å; F97-Q101 HydrophobicContact CE2-CG 4.43Å; F97-Q101 HydrophobicContact CZ-CG 4.23Å; F97-Q101 WeakPolarHBondContact O-CG 3.45Å; F97-Q101 PolarHBondContact O-N 3.39Å; F97-Q101 VanDerWaalsContact O-N 3.13Å; F97-Q101 PolarHBondContact O-NE2 2.91Å; F97-Q101 VanDerWaalsContact O-NE2 3.16Å |
| 98 | S | 98.2 | Very high | 98 | Very high | 60 Ų | 60 | 90.7 Ų | 90.7 | 42% | 0.42 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | E94 Y95 I96 E100 Q101 E102 | E94-S98 WeakPolarHBondContact O-CB 3.34Å; E94-S98 PolarHBondContact O-N 3.24Å; Y95-S98 WeakPolarHBondContact O-CB 3.38Å; Y95-S98 PolarHBondContact O-N 3.47Å; I96-S98 VanDerWaalsContact C-N 3.3Å; I96-S98 PolarHBondContact O-N 2.96Å; S98-E100 VanDerWaalsContact C-N 3.31Å; S98-E100 PolarHBondContact O-N 3.19Å; S98-Q101 PolarHBondContact O-N 2.85Å; S98-E102 WeakPolarHBondContact O-CB 3.45Å; S98-E102 PolarHBondContact O-N 3.36Å |
| 99 | L | 98.4 | Very high | 98 | Very high | 72 Ų | 72 | 94.2 Ų | 94.2 | 38% | 0.377 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 178.5 | -71.9 | 174.1 | 0 | 0 | 0 | 112 | Y95 I96 E102 K103 | Y95-L99 HydrophobicContact CD1-CD1 4.01Å; Y95-L99 HydrophobicContact CD2-CG 4.31Å; Y95-L99 HydrophobicContact CE1-CD1 3.65Å; Y95-L99 HydrophobicContact CE1-CG 4.35Å; Y95-L99 HydrophobicContact CE2-CD1 4.18Å; Y95-L99 HydrophobicContact CE2-CD2 4.08Å; Y95-L99 HydrophobicContact CE2-CG 3.97Å; Y95-L99 HydrophobicContact CG-CD1 4.42Å; Y95-L99 WeakPolarHBondContact O-CG 3.31Å; Y95-L99 PolarHBondContact O-N 3.49Å; I96-L99 PolarHBondContact O-N 3.46Å; I96-L99 VanDerWaalsContact O-N 3.16Å; L99-E102 PolarHBondContact O-N 3.44Å; L99-K103 VanDerWaalsContact O-CB 3.3Å; L99-K103 WeakPolarHBondContact O-CB 3.43Å; L99-K103 PolarHBondContact O-N 2.8Å |
| 100 | E | 98.4 | Very high | 98 | Very high | 109 Ų | 109 | 93.7 Ų | 93.7 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 177 | -74.4 | 177.7 | 160 | 0 | 0 | 112.5 | I96 S98 T104 | I96-E100 HydrophobicContact CG2-CG 4.33Å; I96-E100 WeakPolarHBondContact O-CG 3.22Å; I96-E100 PolarHBondContact O-N 2.96Å; S98-E100 VanDerWaalsContact C-N 3.31Å; S98-E100 PolarHBondContact O-N 3.19Å; E100-T104 PolarHBondContact O-N 2.94Å; E100-T104 VanDerWaalsContact O-N 3.09Å; E100-T104 PolarHBondContact O-OG1 3.36Å |
| 101 | Q | 98.2 | Very high | 97.9 | Very high | 103 Ų | 103 | 91.9 Ų | 91.9 | 48% | 0.481 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 174.2 | -73.9 | 175 | 93.1 | 0 | 0 | 111.4 | F97 S98 T104 R105 | F97-Q101 HydrophobicContact CE1-CG 4.42Å; F97-Q101 HydrophobicContact CE2-CG 4.43Å; F97-Q101 HydrophobicContact CZ-CG 4.23Å; F97-Q101 WeakPolarHBondContact O-CG 3.45Å; F97-Q101 PolarHBondContact O-N 3.39Å; F97-Q101 VanDerWaalsContact O-N 3.13Å; F97-Q101 PolarHBondContact O-NE2 2.91Å; F97-Q101 VanDerWaalsContact O-NE2 3.16Å; S98-Q101 PolarHBondContact O-N 2.85Å; Q101-T104 PolarHBondContact O-N 3.45Å; Q101-R105 PolarHBondContact O-N 3.29Å |
| 102 | E | 98 | Very high | 97.8 | Very high | 106 Ų | 106 | 94 Ų | 94 | 50% | 0.495 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 178 | -174.7 | 170.6 | -155.4 | 0 | 0 | 111.6 | S98 L99 T104 R105 L106 | S98-E102 WeakPolarHBondContact O-CB 3.45Å; S98-E102 PolarHBondContact O-N 3.36Å; L99-E102 PolarHBondContact O-N 3.44Å; E102-T104 VanDerWaalsContact C-N 3.29Å; E102-T104 PolarHBondContact O-N 3.35Å; E102-R105 WeakPolarHBondContact O-CB 3.36Å; E102-R105 PolarHBondContact O-N 3.5Å; E102-L106 HydrophobicContact CG-CD1 4.01Å; E102-L106 HydrophobicContact CG-CG 4.3Å; E102-L106 WeakPolarHBondContact O-CB 3.26Å; E102-L106 WeakPolarHBondContact O-CG 3.44Å; E102-L106 PolarHBondContact O-N 2.8Å |
| 103 | K | 98.2 | Very high | 97.7 | Very high | 156 Ų | 156 | 97.6 Ų | 97.6 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -54.6 | -46.1 | 173.2 | 177.8 | -176.4 | 176.7 | -178.9 | 0 | 111.5 | L99 L106 L107 | L99-K103 VanDerWaalsContact O-CB 3.3Å; L99-K103 WeakPolarHBondContact O-CB 3.43Å; L99-K103 PolarHBondContact O-N 2.8Å; K103-L106 PolarHBondContact O-N 3.34Å; K103-L107 WeakPolarHBondContact O-CB 3.38Å; K103-L107 PolarHBondContact O-N 3.37Å |
| 104 | T | 97.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 101.9 Ų | 101.9 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -44 | 179.2 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | E100 Q101 E102 L107 Q108 | E100-T104 PolarHBondContact O-N 2.94Å; E100-T104 VanDerWaalsContact O-N 3.09Å; E100-T104 PolarHBondContact O-OG1 3.36Å; Q101-T104 PolarHBondContact O-N 3.45Å; E102-T104 VanDerWaalsContact C-N 3.29Å; E102-T104 PolarHBondContact O-N 3.35Å; T104-L107 PolarHBondContact O-N 3.13Å; T104-Q108 WeakPolarHBondContact O-CG 3.36Å; T104-Q108 PolarHBondContact O-N 2.67Å |
| 105 | R | 98.4 | Very high | 97.2 | Very high | 166 Ų | 166 | 104.5 Ų | 104.5 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | 176.1 | -177 | -177.1 | 176.7 | -174.2 | -0.1 | 111.9 | Q101 E102 L107 Q108 Q109 | Q101-R105 PolarHBondContact O-N 3.29Å; E102-R105 WeakPolarHBondContact O-CB 3.36Å; E102-R105 PolarHBondContact O-N 3.5Å; R105-L107 VanDerWaalsContact C-N 3.31Å; R105-L107 PolarHBondContact O-N 2.85Å; R105-Q108 WeakPolarHBondContact O-CB 3.43Å; R105-Q108 PolarHBondContact O-N 2.89Å; R105-Q109 WeakPolarHBondContact O-CG 3.4Å; R105-Q109 PolarHBondContact O-N 3.06Å |
| 106 | L | 98.2 | Very high | 97 | Very high | 81 Ų | 81 | 106.1 Ų | 106.1 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 177.9 | -73.2 | 173.4 | 0 | 0 | 0 | 111.8 | E102 K103 Q109 N110 | E102-L106 HydrophobicContact CG-CD1 4.01Å; E102-L106 HydrophobicContact CG-CG 4.3Å; E102-L106 WeakPolarHBondContact O-CB 3.26Å; E102-L106 WeakPolarHBondContact O-CG 3.44Å; E102-L106 PolarHBondContact O-N 2.8Å; K103-L106 PolarHBondContact O-N 3.34Å; L106-Q109 PolarHBondContact O-N 2.77Å; L106-N110 WeakPolarHBondContact O-CB 3.45Å; L106-N110 PolarHBondContact O-N 3.06Å; L106-N110 PolarHBondContact O-ND2 3.14Å |
| 107 | L | 97.9 | Very high | 96.5 | Very high | 113 Ų | 113 | 107 Ų | 107 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -41.5 | 175.6 | -172.4 | 68.8 | 0 | 0 | 0 | 111.8 | K103 T104 R105 N110 T111 | K103-L107 WeakPolarHBondContact O-CB 3.38Å; K103-L107 PolarHBondContact O-N 3.37Å; T104-L107 PolarHBondContact O-N 3.13Å; R105-L107 VanDerWaalsContact C-N 3.31Å; R105-L107 PolarHBondContact O-N 2.85Å; L107-N110 PolarHBondContact O-N 3.18Å; L107-T111 WeakPolarHBondContact O-CB 3.44Å; L107-T111 PolarHBondContact O-N 2.95Å; L107-T111 PolarHBondContact O-OG1 2.88Å |
| 108 | Q | 96.8 | Very high | 96 | Very high | 119 Ų | 119 | 106.8 Ų | 106.8 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | 174.7 | -71 | 172 | 0.3 | 0 | 0 | 111.4 | T104 R105 T111 Q112 | T104-Q108 WeakPolarHBondContact O-CG 3.36Å; T104-Q108 PolarHBondContact O-N 2.67Å; R105-Q108 WeakPolarHBondContact O-CB 3.43Å; R105-Q108 PolarHBondContact O-N 2.89Å; Q108-T111 PolarHBondContact O-N 3.5Å; Q108-Q112 WeakPolarHBondContact O-CG 3.5Å; Q108-Q112 PolarHBondContact O-N 3.46Å |
| 109 | Q | 97.6 | Very high | 95.4 | Very high | 80 Ų | 80 | 111.1 Ų | 111.1 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -46 | 175.6 | -72.3 | -178.9 | -46.3 | 0 | 0 | 111.6 | R105 L106 T111 Q112 L113 | R105-Q109 WeakPolarHBondContact O-CG 3.4Å; R105-Q109 PolarHBondContact O-N 3.06Å; L106-Q109 PolarHBondContact O-N 2.77Å; Q109-T111 VanDerWaalsContact C-N 3.29Å; Q109-T111 PolarHBondContact O-N 2.87Å; Q109-Q112 WeakPolarHBondContact O-CB 3.44Å; Q109-Q112 PolarHBondContact O-N 3.38Å; Q109-Q112 VanDerWaalsContact O-N 3.13Å; Q109-L113 WeakPolarHBondContact O-CG 3.41Å; Q109-L113 PolarHBondContact O-N 2.86Å |
| 110 | N | 97.1 | Very high | 94.6 | Very high | 86 Ų | 86 | 114.7 Ų | 114.7 | 46% | 0.46 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 175.4 | -92.7 | -50.7 | 0 | 0 | 0 | 112.4 | L106 L107 Q112 L113 K114 | L106-N110 WeakPolarHBondContact O-CB 3.45Å; L106-N110 PolarHBondContact O-N 3.06Å; L106-N110 PolarHBondContact O-ND2 3.14Å; L107-N110 PolarHBondContact O-N 3.18Å; N110-Q112 VanDerWaalsContact C-N 3.33Å; N110-Q112 PolarHBondContact O-N 3.39Å; N110-L113 PolarHBondContact O-N 3.31Å; N110-K114 WeakPolarHBondContact O-CB 3.36Å; N110-K114 VanDerWaalsContact O-CG 3.26Å; N110-K114 WeakPolarHBondContact O-CG 3.44Å; N110-K114 PolarHBondContact O-N 3.07Å |
| 111 | T | 95.9 | Very high | 93.6 | Very high | 73 Ų | 73 | 113.9 Ų | 113.9 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 176.3 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | L107 Q108 Q109 R115 | L107-T111 WeakPolarHBondContact O-CB 3.44Å; L107-T111 PolarHBondContact O-N 2.95Å; L107-T111 PolarHBondContact O-OG1 2.88Å; Q108-T111 PolarHBondContact O-N 3.5Å; Q109-T111 VanDerWaalsContact C-N 3.29Å; Q109-T111 PolarHBondContact O-N 2.87Å; T111-R115 WeakPolarHBondContact O-CG 3.49Å; T111-R115 PolarHBondContact O-N 3.44Å; T111-R115 VanDerWaalsContact O-N 3.13Å |
| 112 | Q | 95.9 | Very high | 91.7 | Very high | 97 Ų | 97 | 111.9 Ų | 111.9 | 45% | 0.453 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.2 | -47.1 | 173.9 | -71.7 | 175.2 | -15.8 | 0 | 0 | 111.8 | Q108 Q109 N110 K114 R115 F116 | Q108-Q112 WeakPolarHBondContact O-CG 3.5Å; Q108-Q112 PolarHBondContact O-N 3.46Å; Q109-Q112 WeakPolarHBondContact O-CB 3.44Å; Q109-Q112 PolarHBondContact O-N 3.38Å; Q109-Q112 VanDerWaalsContact O-N 3.13Å; N110-Q112 VanDerWaalsContact C-N 3.33Å; N110-Q112 PolarHBondContact O-N 3.39Å; Q112-K114 PolarHBondContact O-N 3.14Å; Q112-R115 WeakPolarHBondContact O-CB 3.44Å; Q112-R115 PolarHBondContact O-N 3.26Å; Q112-R115 VanDerWaalsContact O-N 3.14Å; Q112-F116 VanDerWaalsContact O-CD2 3.26Å; Q112-F116 WeakPolarHBondContact O-CD2 3.26Å; Q112-F116 PolarHBondContact O-N 2.94Å |
| 113 | L | 95.1 | Very high | 89.6 | Confident | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -43.3 | 177.8 | -69.6 | 173.3 | 0 | 0 | 0 | 111.7 | Q109 N110 R115 F116 I117 | Q109-L113 WeakPolarHBondContact O-CG 3.41Å; Q109-L113 PolarHBondContact O-N 2.86Å; N110-L113 PolarHBondContact O-N 3.31Å; L113-R115 VanDerWaalsContact C-N 3.3Å; L113-R115 PolarHBondContact O-N 3.03Å; L113-F116 PolarHBondContact O-N 3.41Å; L113-I117 VanDerWaalsContact O-CG1 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.34Å |
| 114 | K | 93.6 | Very high | 87.1 | Confident | 146 Ų | 146 | 107.2 Ų | 107.2 | 64% | 0.635 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -57.8 | -42.2 | 173.8 | -76.2 | 178.3 | 179.5 | -172.4 | 0 | 112.1 | N110 Q112 I117 Q118 | N110-K114 WeakPolarHBondContact O-CB 3.36Å; N110-K114 VanDerWaalsContact O-CG 3.26Å; N110-K114 WeakPolarHBondContact O-CG 3.44Å; N110-K114 PolarHBondContact O-N 3.07Å; Q112-K114 PolarHBondContact O-N 3.14Å; K114-I117 PolarHBondContact O-N 3.28Å; K114-Q118 WeakPolarHBondContact O-CB 3.34Å; K114-Q118 PolarHBondContact O-N 3.07Å |
| 115 | R | 93.3 | Very high | 85 | Confident | 162 Ų | 162 | 109.5 Ų | 109.5 | 61% | 0.611 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63 | -45 | 174.7 | -75.3 | -170 | -68.9 | 164.7 | -3.3 | 112.1 | T111 Q112 L113 I117 Q118 E119 | T111-R115 WeakPolarHBondContact O-CG 3.49Å; T111-R115 PolarHBondContact O-N 3.44Å; T111-R115 VanDerWaalsContact O-N 3.13Å; Q112-R115 WeakPolarHBondContact O-CB 3.44Å; Q112-R115 PolarHBondContact O-N 3.26Å; Q112-R115 VanDerWaalsContact O-N 3.14Å; L113-R115 VanDerWaalsContact C-N 3.3Å; L113-R115 PolarHBondContact O-N 3.03Å; R115-I117 PolarHBondContact O-N 3.39Å; R115-Q118 PolarHBondContact O-N 3.27Å; R115-E119 WeakPolarHBondContact O-CB 3.02Å; R115-E119 PolarHBondContact O-N 2.67Å |
| 116 | F | 92.3 | Very high | 82.4 | Confident | 119 Ų | 119 | 110.2 Ų | 110.2 | 52% | 0.522 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.3 | -44.1 | 176.2 | -77.1 | -57.3 | 0 | 0 | 0 | 112.2 | Q112 L113 Q118 E119 L120 | Q112-F116 VanDerWaalsContact O-CD2 3.26Å; Q112-F116 WeakPolarHBondContact O-CD2 3.26Å; Q112-F116 PolarHBondContact O-N 2.94Å; L113-F116 PolarHBondContact O-N 3.41Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-Q118 PolarHBondContact O-N 2.98Å; F116-E119 PolarHBondContact O-N 3.19Å; F116-L120 WeakPolarHBondContact O-CB 3.3Å; F116-L120 WeakPolarHBondContact O-CD1 3.44Å; F116-L120 WeakPolarHBondContact O-CG 3.38Å; F116-L120 PolarHBondContact O-N 3.26Å |
| 117 | I | 89.5 | Confident | 80.1 | Confident | 103 Ų | 103 | 117.9 Ų | 117.9 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.2 | -41.9 | 177.3 | -68.4 | 166.5 | 0 | 0 | 0 | 110.6 | L113 K114 R115 E119 L120 S121 | L113-I117 VanDerWaalsContact O-CG1 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 3.34Å; K114-I117 PolarHBondContact O-N 3.28Å; R115-I117 PolarHBondContact O-N 3.39Å; I117-E119 VanDerWaalsContact C-N 3.34Å; I117-E119 PolarHBondContact O-N 3.46Å; I117-L120 PolarHBondContact O-N 3.3Å; I117-S121 VanDerWaalsContact O-CB 3.22Å; I117-S121 WeakPolarHBondContact O-CB 3.4Å; I117-S121 PolarHBondContact O-N 3.19Å; I117-S121 PolarHBondContact O-OG 3.29Å |
| 118 | Q | 86.9 | Confident | 77.5 | Confident | 118 Ų | 118 | 124.6 Ų | 124.6 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.5 | -37.4 | 177.3 | -174.5 | 155.8 | 22 | 0 | 0 | 112.6 | K114 R115 F116 | K114-Q118 WeakPolarHBondContact O-CB 3.34Å; K114-Q118 PolarHBondContact O-N 3.07Å; R115-Q118 PolarHBondContact O-N 3.27Å; F116-Q118 VanDerWaalsContact C-N 3.32Å; F116-Q118 PolarHBondContact O-N 2.98Å |
| 119 | E | 85.1 | Confident | 75.1 | Confident | 150 Ų | 150 | 130.5 Ų | 130.5 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.6 | -41.6 | 174.4 | -172.6 | 173.4 | -169.1 | 0 | 0 | 112 | R115 F116 I117 | R115-E119 WeakPolarHBondContact O-CB 3.02Å; R115-E119 PolarHBondContact O-N 2.67Å; F116-E119 PolarHBondContact O-N 3.19Å; I117-E119 VanDerWaalsContact C-N 3.34Å; I117-E119 PolarHBondContact O-N 3.46Å |
| 120 | L | 83 | Confident | 72.8 | Confident | 147 Ų | 147 | 131.3 Ų | 131.3 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.2 | -32.2 | 178.3 | -74.6 | 156 | 0 | 0 | 0 | 113.3 | F116 I117 G122 | F116-L120 WeakPolarHBondContact O-CB 3.3Å; F116-L120 WeakPolarHBondContact O-CD1 3.44Å; F116-L120 WeakPolarHBondContact O-CG 3.38Å; F116-L120 PolarHBondContact O-N 3.26Å; I117-L120 PolarHBondContact O-N 3.3Å; L120-G122 PolarHBondContact O-N 2.86Å |
| 121 | S | 77.6 | Confident | 70.3 | Confident | 92 Ų | 92 | 136.5 Ų | 136.5 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 8 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | I117 S123 | I117-S121 VanDerWaalsContact O-CB 3.22Å; I117-S121 WeakPolarHBondContact O-CB 3.4Å; I117-S121 PolarHBondContact O-N 3.19Å; I117-S121 PolarHBondContact O-OG 3.29Å; S121-S123 PolarHBondContact O-N 3.45Å |
| 122 | G | 57.9 | Low | 68.7 | Low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.7 | 8.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L120 S124 | L120-G122 PolarHBondContact O-N 2.86Å; G122-S124 PolarHBondContact O-N 2.92Å |
| 123 | S | 54.4 | Low | 66.9 | Low | 72 Ų | 72 | 144.2 Ų | 144.2 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | trans | -79.9 | 77.6 | 169.4 | -169.8 | 0 | 0 | 0 | 0 | 109.7 | S121 P125 | S121-S123 PolarHBondContact O-N 3.45Å; S123-P125 VanDerWaalsContact O-CD 3.3Å; S123-P125 WeakPolarHBondContact O-CD 3.34Å | ||
| 124 | S | 44.9 | Very low | 65.2 | Low | 92 Ų | 92 | 146.7 Ų | 146.7 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | trans | -70.3 | 118.3 | 170.8 | -169.5 | 0 | 0 | 0 | 0 | 109 | G122 K126 | G122-S124 PolarHBondContact O-N 2.92Å; S124-K126 PolarHBondContact O-N 3.43Å | ||
| 125 | P | 52.7 | Low | 63.6 | Low | 124 Ų | 124 | 148.8 Ų | 148.8 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -76.8 | 65.1 | 177.4 | 30.2 | -31.7 | 0 | 0 | 0 | 110.2 | S123 | S123-P125 VanDerWaalsContact O-CD 3.3Å; S123-P125 WeakPolarHBondContact O-CD 3.34Å |
| 126 | K | 45.8 | Very low | 61.7 | Low | 182 Ų | 182 | 144.1 Ų | 144.1 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -171.4 | 84.7 | 173.6 | -108.9 | 154.5 | -176.7 | 174.2 | 0 | 110.2 | S124 | S124-K126 PolarHBondContact O-N 3.43Š| ||
| 127 | R | 48.6 | Very low | 59.3 | Low | 242 Ų | 242 | 145.7 Ų | 145.7 | 91% | 0.913 | 75% | 0.752 | S | S | * | * | trans | 160.9 | 101.6 | 141.6 | -90.4 | 177.4 | 87.2 | -156.3 | 3.3 | 108 | ||||
| 128 | R | 43.2 | Very low | 57.1 | Low | 254 Ų | 254 | 144.7 Ų | 144.7 | 96% | 0.958 | 77% | 0.767 | S | S | * | * | -151.4 | 96.6 | 122.2 | -70.8 | -152 | 176.8 | 178.7 | -1.5 | 107.9 | |||||
| 129 | R | 46 | Very low | 55.1 | Low | 242 Ų | 242 | 142.5 Ų | 142.5 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | trans | -60.6 | 141.2 | 150.3 | -85.7 | 179.8 | 174.8 | 163.6 | -2.2 | 106.8 | E131 | R129-E131 PolarHBondContact O-N 3.33Š| ||
| 130 | A | 51.1 | Low | 53.3 | Low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | 7.9 | 105.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 131 | E | 43.5 | Very low | 51.5 | Low | 196 Ų | 196 | 138.5 Ų | 138.5 | 92% | 0.916 | 76% | 0.756 | S | S | * | * | trans | -138 | 96.2 | 138.1 | -102.7 | 175.6 | 177.5 | 0 | 0 | 106 | R129 | R129-E131 PolarHBondContact O-N 3.33Š| ||
| 132 | D | 63.3 | Low | 50.5 | Low | 147 Ų | 147 | 140.6 Ų | 140.6 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | trans | -64.7 | 129.6 | 156.3 | -177 | 20.8 | 0 | 0 | 0 | 106.9 | ||||
| 133 | K | 56.5 | Low | 50.2 | Low | 185 Ų | 185 | 146.9 Ų | 146.9 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 162.3 | 91.5 | 155 | -83 | -66.1 | 162.8 | -174.5 | 0 | 108 | E135 | K133-E135 PolarHBondContact O-N 3.43Š| ||
| 134 | D | 61.1 | Low | 50.1 | Low | 149 Ų | 149 | 150 Ų | 150 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | 42.1 | 79.2 | 128.5 | -167.1 | 28.3 | 0 | 0 | 0 | 117.1 | |||||
| 135 | E | 59.8 | Low | 50.8 | Low | 190 Ų | 190 | 150.3 Ų | 150.3 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -135.3 | 120.5 | 133.3 | -74.8 | -155.9 | 163.1 | 0 | 0 | 108.3 | K133 | K133-E135 PolarHBondContact O-N 3.43Š| ||
| 136 | G | 52.9 | Low | 51.3 | Low | 65 Ų | 65 | 149.5 Ų | 149.5 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | trans | -63.5 | 165.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 137 | I | 42 | Very low | 52.5 | Low | 152 Ų | 152 | 148 Ų | 148 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | 78.3 | 68.7 | 170.6 | -36 | -173.4 | 0 | 0 | 0 | 114.2 | S139 | I137-S139 VanDerWaalsContact C-N 3.31Å; I137-S139 PolarHBondContact O-N 2.87Å | ||
| 138 | G | 42.8 | Very low | 53.9 | Low | 82 Ų | 82 | 138.1 Ų | 138.1 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -67.6 | 92 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 139 | S | 44.3 | Very low | 55.8 | Low | 71 Ų | 71 | 130.4 Ų | 130.4 | 50% | 0.497 | 69% | 0.688 | S | S | . | * | trans | -74 | 132.4 | 165.6 | -71.5 | 0 | 0 | 0 | 0 | 109.6 | I137 D141 | I137-S139 VanDerWaalsContact C-N 3.31Å; I137-S139 PolarHBondContact O-N 2.87Å; S139-D141 PolarHBondContact O-N 3.44Å | ||
| 140 | P | 48 | Very low | 57.5 | Low | 124 Ų | 124 | 122.9 Ų | 122.9 | 81% | 0.805 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -64.6 | 17.8 | 173.2 | -23.6 | 34.9 | 0 | 0 | 0 | 116.5 | ||
| 141 | D | 46.3 | Very low | 59.4 | Low | 90 Ų | 90 | 123.7 Ų | 123.7 | 48% | 0.481 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.6 | 0.7 | -155.1 | -137.6 | 15.3 | 0 | 0 | 0 | 115.6 | S139 W143 E144 D145 | S139-D141 PolarHBondContact O-N 3.44Å; D141-W143 PolarHBondContact O-N 2.82Å; D141-W143 VanDerWaalsContact O-N 3.14Å; D141-E144 PolarHBondContact O-N 2.94Å; D141-E144 VanDerWaalsContact O-N 3.07Å; D141-E144 WeakPolarHBondContact OD1-CB 3.47Å; D141-D145 PolarHBondContact O-N 3.24Å |
| 142 | I | 55.4 | Low | 61.6 | Low | 136 Ų | 136 | 121.3 Ų | 121.3 | 70% | 0.697 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.3 | -29.6 | -177.9 | -61.2 | 171 | 0 | 0 | 0 | 111.5 | E146 | I142-E146 PolarHBondContact O-N 3.44Å |
| 143 | W | 51.4 | Low | 63.1 | Low | 193 Ų | 193 | 119.7 Ų | 119.7 | 73% | 0.731 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.4 | -23.3 | 178.8 | -63.2 | 93.5 | 0 | 0 | 0 | 114 | D141 K147 | D141-W143 PolarHBondContact O-N 2.82Å; D141-W143 VanDerWaalsContact O-N 3.14Å; W143-K147 WeakPolarHBondContact O-CG 3.38Å |
| 144 | E | 53.4 | Low | 64.7 | Low | 137 Ų | 137 | 116 Ų | 116 | 64% | 0.64 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -80.3 | -35.9 | 176.7 | -67 | -155.7 | 167.9 | 0 | 0 | 111.2 | D141 K147 A148 | D141-E144 PolarHBondContact O-N 2.94Å; D141-E144 VanDerWaalsContact O-N 3.07Å; D141-E144 WeakPolarHBondContact OD1-CB 3.47Å; E144-K147 PolarHBondContact O-N 3.13Å; E144-A148 WeakPolarHBondContact O-CB 3.45Å; E144-A148 PolarHBondContact O-N 2.79Å |
| 145 | D | 58.3 | Low | 66.3 | Low | 99 Ų | 99 | 113.1 Ų | 113.1 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.9 | -37.6 | 178.3 | -154 | 24.8 | 0 | 0 | 0 | 112 | D141 K147 A148 E149 | D141-D145 PolarHBondContact O-N 3.24Å; D145-K147 PolarHBondContact O-N 3.49Å; D145-A148 PolarHBondContact O-N 2.86Å; D145-E149 WeakPolarHBondContact O-CG 3.36Å; D145-E149 PolarHBondContact O-N 3.47Å |
| 146 | E | 64.4 | Low | 68 | Low | 106 Ų | 106 | 108.6 Ų | 108.6 | 50% | 0.495 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.5 | -39.6 | 175.6 | -163.8 | 173.4 | -165.5 | 0 | 0 | 112.1 | I142 E149 D150 | I142-E146 PolarHBondContact O-N 3.44Å; E146-E149 PolarHBondContact O-N 2.91Å; E146-D150 PolarHBondContact O-N 3.49Å |
| 147 | K | 70.4 | Confident | 70.1 | Confident | 152 Ų | 152 | 111.5 Ų | 111.5 | 66% | 0.661 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.9 | -37.6 | 172.4 | -74.5 | 179.8 | -178.2 | 178.8 | 0 | 112.5 | W143 E144 D145 E149 D150 L151 | W143-K147 WeakPolarHBondContact O-CG 3.38Å; E144-K147 PolarHBondContact O-N 3.13Å; D145-K147 PolarHBondContact O-N 3.49Å; K147-E149 VanDerWaalsContact C-N 3.32Å; K147-D150 PolarHBondContact O-N 3.3Å; K147-L151 WeakPolarHBondContact O-CB 3.16Å; K147-L151 PolarHBondContact O-N 3.16Å |
| 148 | A | 78.8 | Confident | 72.7 | Confident | 33 Ų | 33 | 109 Ų | 109 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.3 | -36.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | E144 D145 R152 | E144-A148 WeakPolarHBondContact O-CB 3.45Å; E144-A148 PolarHBondContact O-N 2.79Å; D145-A148 PolarHBondContact O-N 2.86Å; A148-R152 VanDerWaalsContact O-CG 3.29Å; A148-R152 WeakPolarHBondContact O-CG 3.48Å; A148-R152 PolarHBondContact O-N 3.43Å; A148-R152 VanDerWaalsContact O-N 3.08Å |
| 149 | E | 82.1 | Confident | 75.1 | Confident | 92 Ų | 92 | 112.2 Ų | 112.2 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 171.2 | -72.7 | -146 | 163.1 | 0 | 0 | 113.1 | D145 E146 K147 L151 R152 R153 | D145-E149 WeakPolarHBondContact O-CG 3.36Å; D145-E149 PolarHBondContact O-N 3.47Å; E146-E149 PolarHBondContact O-N 2.91Å; K147-E149 VanDerWaalsContact C-N 3.32Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L151 PolarHBondContact O-N 3.24Å; E149-R152 WeakPolarHBondContact O-CB 3.4Å; E149-R152 PolarHBondContact O-N 3.34Å; E149-R153 WeakPolarHBondContact O-CG 3.3Å; E149-R153 PolarHBondContact O-N 3.34Å; E149-R153 IonicContact OE2-CZ 3.3Å; E149-R153 IonicContact OE2-NH1 3.09Å; E149-R153 PolarHBondContact OE2-NH1 3.24Å; E149-R153 IonicContact OE2-NH2 2.68Å |
| 150 | D | 82.6 | Confident | 77.6 | Confident | 84 Ų | 84 | 113.7 Ų | 113.7 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.9 | -79.7 | -20.2 | 0 | 0 | 0 | 111.7 | E146 K147 R152 R153 E154 | E146-D150 PolarHBondContact O-N 3.49Å; K147-D150 PolarHBondContact O-N 3.3Å; D150-R152 VanDerWaalsContact C-N 3.3Å; D150-R152 PolarHBondContact O-N 2.95Å; D150-R153 WeakPolarHBondContact O-CB 3.49Å; D150-R153 PolarHBondContact O-N 2.83Å; D150-R153 VanDerWaalsContact O-N 3.17Å; D150-R153 IonicContact OD1-CZ 3.06Å; D150-R153 VanDerWaalsContact OD1-CZ 3.3Å; D150-R153 IonicContact OD1-NE 3.43Å; D150-R153 PolarHBondContact OD1-NE 3.36Å; D150-R153 VanDerWaalsContact OD1-NE 3.09Å; D150-R153 IonicContact OD1-NH2 3.8Å; D150-R153 PolarHBondContact OD1-NH2 2.9Å; D150-E154 WeakPolarHBondContact O-CB 3.46Å; D150-E154 PolarHBondContact O-N 2.95Å |
| 151 | L | 90.3 | Very high | 79.9 | Confident | 114 Ų | 114 | 113.6 Ų | 113.6 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.9 | -36.9 | 175.8 | -168.5 | 66.7 | 0 | 0 | 0 | 111.6 | K147 E149 M155 | K147-L151 WeakPolarHBondContact O-CB 3.16Å; K147-L151 PolarHBondContact O-N 3.16Å; E149-L151 VanDerWaalsContact C-N 3.34Å; E149-L151 PolarHBondContact O-N 3.24Å; L151-M155 VanDerWaalsContact O-CB 3.26Å; L151-M155 WeakPolarHBondContact O-CB 3.49Å; L151-M155 PolarHBondContact O-N 3.25Å |
| 152 | R | 91 | Very high | 82.3 | Confident | 146 Ų | 146 | 112.8 Ų | 112.8 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 173.3 | -75.4 | 176.7 | -171.7 | 109.7 | -3.3 | 111.7 | A148 E149 D150 M155 I156 | A148-R152 VanDerWaalsContact O-CG 3.29Å; A148-R152 WeakPolarHBondContact O-CG 3.48Å; A148-R152 PolarHBondContact O-N 3.43Å; A148-R152 VanDerWaalsContact O-N 3.08Å; E149-R152 WeakPolarHBondContact O-CB 3.4Å; E149-R152 PolarHBondContact O-N 3.34Å; D150-R152 VanDerWaalsContact C-N 3.3Å; D150-R152 PolarHBondContact O-N 2.95Å; R152-M155 PolarHBondContact O-N 3.35Å; R152-I156 WeakPolarHBondContact O-CD1 3.4Å; R152-I156 VanDerWaalsContact O-CG1 3.27Å; R152-I156 WeakPolarHBondContact O-CG1 3.36Å; R152-I156 PolarHBondContact O-N 2.95Å |
| 153 | R | 92.7 | Very high | 84.3 | Confident | 114 Ų | 114 | 110.7 Ų | 110.7 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -49 | 175.5 | -75.7 | -176.5 | -85.3 | -90.7 | 5.4 | 110.9 | E149 D150 M155 I156 E157 | E149-R153 WeakPolarHBondContact O-CG 3.3Å; E149-R153 PolarHBondContact O-N 3.34Å; E149-R153 IonicContact OE2-CZ 3.3Å; E149-R153 IonicContact OE2-NH1 3.09Å; E149-R153 PolarHBondContact OE2-NH1 3.24Å; E149-R153 IonicContact OE2-NH2 2.68Å; D150-R153 WeakPolarHBondContact O-CB 3.49Å; D150-R153 PolarHBondContact O-N 2.83Å; D150-R153 VanDerWaalsContact O-N 3.17Å; D150-R153 IonicContact OD1-CZ 3.06Å; D150-R153 VanDerWaalsContact OD1-CZ 3.3Å; D150-R153 IonicContact OD1-NE 3.43Å; D150-R153 PolarHBondContact OD1-NE 3.36Å; D150-R153 VanDerWaalsContact OD1-NE 3.09Å; D150-R153 IonicContact OD1-NH2 3.8Å; D150-R153 PolarHBondContact OD1-NH2 2.9Å; R153-M155 VanDerWaalsContact C-N 3.32Å; R153-M155 PolarHBondContact O-N 3.18Å; R153-I156 PolarHBondContact O-N 3.39Å; R153-E157 PolarHBondContact O-N 3.46Å |
| 154 | E | 92.1 | Very high | 86.5 | Confident | 107 Ų | 107 | 107.9 Ų | 107.9 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 176.4 | -171.6 | -179.5 | -174.7 | 0 | 0 | 111.5 | D150 I156 E157 L158 | D150-E154 WeakPolarHBondContact O-CB 3.46Å; D150-E154 PolarHBondContact O-N 2.95Å; E154-I156 VanDerWaalsContact C-N 3.31Å; E154-I156 PolarHBondContact O-N 2.97Å; E154-E157 PolarHBondContact O-N 2.9Å; E154-L158 HydrophobicContact CG-CD1 4.16Å; E154-L158 HydrophobicContact CG-CG 4.45Å; E154-L158 WeakPolarHBondContact O-CB 3.39Å; E154-L158 WeakPolarHBondContact O-CG 3.49Å; E154-L158 PolarHBondContact O-N 3.17Å |
| 155 | M | 94.8 | Very high | 88.6 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 178.1 | -152.1 | -82.7 | 146.3 | 0 | 0 | 112.1 | L151 R152 R153 R159 | L151-M155 VanDerWaalsContact O-CB 3.26Å; L151-M155 WeakPolarHBondContact O-CB 3.49Å; L151-M155 PolarHBondContact O-N 3.25Å; R152-M155 PolarHBondContact O-N 3.35Å; R153-M155 VanDerWaalsContact C-N 3.32Å; R153-M155 PolarHBondContact O-N 3.18Å; M155-R159 HydrophobicContact CE-CG 4.06Å; M155-R159 VanDerWaalsContact CE-NE 3.31Å; M155-R159 VanDerWaalsContact O-CG 3.3Å; M155-R159 WeakPolarHBondContact O-CG 3.12Å; M155-R159 PolarHBondContact O-N 2.92Å; M155-R159 VanDerWaalsContact O-N 3.16Å; M155-R159 HydrophobicContact SD-CG 4.18Å; M155-R159 PolarHBondContact SD-NE 3.03Å |
| 156 | I | 95.2 | Very high | 90.4 | Very high | 95 Ų | 95 | 108.1 Ų | 108.1 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | 174.5 | -69.6 | 163.9 | 0 | 0 | 0 | 111 | R152 R153 E154 R159 Q160 | R152-I156 WeakPolarHBondContact O-CD1 3.4Å; R152-I156 VanDerWaalsContact O-CG1 3.27Å; R152-I156 WeakPolarHBondContact O-CG1 3.36Å; R152-I156 PolarHBondContact O-N 2.95Å; R153-I156 PolarHBondContact O-N 3.39Å; E154-I156 VanDerWaalsContact C-N 3.31Å; E154-I156 PolarHBondContact O-N 2.97Å; I156-R159 PolarHBondContact O-N 2.89Å; I156-Q160 WeakPolarHBondContact O-CG 3.49Å; I156-Q160 PolarHBondContact O-N 3.42Å |
| 157 | E | 95.4 | Very high | 92 | Very high | 126 Ų | 126 | 106.5 Ų | 106.5 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.2 | -45.5 | 178.2 | -174.3 | 169.2 | -164 | 0 | 0 | 111.8 | R153 E154 R159 Q160 Q161 | R153-E157 PolarHBondContact O-N 3.46Å; E154-E157 PolarHBondContact O-N 2.9Å; E157-R159 VanDerWaalsContact C-N 3.3Å; E157-R159 PolarHBondContact O-N 3.35Å; E157-Q160 WeakPolarHBondContact O-CB 3.46Å; E157-Q160 PolarHBondContact O-N 3.4Å; E157-Q160 VanDerWaalsContact O-N 3.12Å; E157-Q161 WeakPolarHBondContact O-CB 3.39Å; E157-Q161 PolarHBondContact O-N 3.34Å |
| 158 | L | 96.9 | Very high | 93.2 | Very high | 100 Ų | 100 | 103 Ų | 103 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 175.5 | -72.9 | 172.8 | 0 | 0 | 0 | 112.1 | E154 Q161 L162 | E154-L158 HydrophobicContact CG-CD1 4.16Å; E154-L158 HydrophobicContact CG-CG 4.45Å; E154-L158 WeakPolarHBondContact O-CB 3.39Å; E154-L158 WeakPolarHBondContact O-CG 3.49Å; E154-L158 PolarHBondContact O-N 3.17Å; L158-Q161 PolarHBondContact O-N 2.91Å; L158-L162 WeakPolarHBondContact O-CB 3.4Å; L158-L162 PolarHBondContact O-N 3.35Å |
| 159 | R | 94.5 | Very high | 94.1 | Very high | 148 Ų | 148 | 108 Ų | 108 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 172.8 | -76.9 | 177.8 | -173.1 | -95.3 | -2.4 | 111.6 | M155 I156 E157 Q161 L162 D163 | M155-R159 HydrophobicContact CE-CG 4.06Å; M155-R159 VanDerWaalsContact CE-NE 3.31Å; M155-R159 VanDerWaalsContact O-CG 3.3Å; M155-R159 WeakPolarHBondContact O-CG 3.12Å; M155-R159 PolarHBondContact O-N 2.92Å; M155-R159 VanDerWaalsContact O-N 3.16Å; M155-R159 HydrophobicContact SD-CG 4.18Å; M155-R159 PolarHBondContact SD-NE 3.03Å; I156-R159 PolarHBondContact O-N 2.89Å; E157-R159 VanDerWaalsContact C-N 3.3Å; E157-R159 PolarHBondContact O-N 3.35Å; R159-Q161 PolarHBondContact O-N 3.09Å; R159-L162 PolarHBondContact O-N 3.12Å; R159-D163 PolarHBondContact O-N 3.16Å |
| 160 | Q | 96.3 | Very high | 94.8 | Very high | 102 Ų | 102 | 109.9 Ų | 109.9 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 177.5 | -72.9 | 177.8 | 49.5 | 0 | 0 | 111.9 | I156 E157 D163 K164 | I156-Q160 WeakPolarHBondContact O-CG 3.49Å; I156-Q160 PolarHBondContact O-N 3.42Å; E157-Q160 WeakPolarHBondContact O-CB 3.46Å; E157-Q160 PolarHBondContact O-N 3.4Å; E157-Q160 VanDerWaalsContact O-N 3.12Å; Q160-D163 PolarHBondContact O-N 2.99Å; Q160-K164 VanDerWaalsContact O-CG 3.28Å; Q160-K164 WeakPolarHBondContact O-CG 3.48Å; Q160-K164 PolarHBondContact O-N 2.98Å |
| 161 | Q | 95.9 | Very high | 95.5 | Very high | 123 Ų | 123 | 110.8 Ų | 110.8 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.6 | -40.3 | 178.1 | -166.4 | 156.5 | -1 | 0 | 0 | 112 | E157 L158 R159 K164 E165 | E157-Q161 WeakPolarHBondContact O-CB 3.39Å; E157-Q161 PolarHBondContact O-N 3.34Å; L158-Q161 PolarHBondContact O-N 2.91Å; R159-Q161 PolarHBondContact O-N 3.09Å; Q161-K164 PolarHBondContact O-N 3.42Å; Q161-E165 PolarHBondContact O-N 3.37Å |
| 162 | L | 97.3 | Very high | 95.8 | Very high | 72 Ų | 72 | 109.9 Ų | 109.9 | 38% | 0.377 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 172.8 | -176.4 | 64.7 | 0 | 0 | 0 | 111.9 | L158 R159 E165 R166 | L158-L162 WeakPolarHBondContact O-CB 3.4Å; L158-L162 PolarHBondContact O-N 3.35Å; R159-L162 PolarHBondContact O-N 3.12Å; L162-E165 PolarHBondContact O-N 3Å; L162-R166 WeakPolarHBondContact O-CB 3.3Å; L162-R166 VanDerWaalsContact O-CG 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.37Å; L162-R166 PolarHBondContact O-N 3.35Å |
| 163 | D | 97.1 | Very high | 96.1 | Very high | 93 Ų | 93 | 108.1 Ų | 108.1 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 178 | -71.6 | -23.8 | 0 | 0 | 0 | 111.9 | R159 Q160 R166 S167 | R159-D163 PolarHBondContact O-N 3.16Å; Q160-D163 PolarHBondContact O-N 2.99Å; D163-R166 PolarHBondContact O-N 2.63Å; D163-R166 IonicContact OD1-NH1 3.75Å; D163-S167 WeakPolarHBondContact O-CB 3.32Å; D163-S167 PolarHBondContact O-N 3.29Å |
| 164 | K | 96.8 | Very high | 96.3 | Very high | 134 Ų | 134 | 109.3 Ų | 109.3 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -45.9 | 170.6 | -72.9 | 169.4 | -174.2 | 171.3 | 0 | 111.4 | Q160 Q161 R166 S167 V168 | Q160-K164 VanDerWaalsContact O-CG 3.28Å; Q160-K164 WeakPolarHBondContact O-CG 3.48Å; Q160-K164 PolarHBondContact O-N 2.98Å; Q161-K164 PolarHBondContact O-N 3.42Å; K164-R166 PolarHBondContact O-N 3.5Å; K164-S167 PolarHBondContact O-N 3.14Å; K164-V168 WeakPolarHBondContact O-CG2 3.45Å; K164-V168 PolarHBondContact O-N 3.13Å |
| 165 | E | 97.3 | Very high | 96.4 | Very high | 93 Ų | 93 | 109.2 Ų | 109.2 | 44% | 0.435 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 178 | -166.5 | -146.9 | 154.5 | 0 | 0 | 111.3 | Q161 L162 S167 V168 R169 | Q161-E165 PolarHBondContact O-N 3.37Å; L162-E165 PolarHBondContact O-N 3Å; E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 3.48Å; E165-V168 PolarHBondContact O-N 2.91Å; E165-R169 VanDerWaalsContact O-CB 3.29Å; E165-R169 WeakPolarHBondContact O-CB 3.45Å; E165-R169 PolarHBondContact O-N 2.91Å; E165-R169 IonicContact OE1-CZ 3.5Å; E165-R169 IonicContact OE1-NE 3.75Å; E165-R169 IonicContact OE1-NH2 2.7Å; E165-R169 PolarHBondContact OE1-NH2 3.46Å |
| 166 | R | 97.4 | Very high | 96.4 | Very high | 148 Ų | 148 | 108.5 Ų | 108.5 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.6 | -43.2 | 176.2 | -75.7 | 170.4 | 173.9 | 178.9 | -3.8 | 112 | L162 D163 K164 R169 M170 | L162-R166 WeakPolarHBondContact O-CB 3.3Å; L162-R166 VanDerWaalsContact O-CG 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.37Å; L162-R166 PolarHBondContact O-N 3.35Å; D163-R166 PolarHBondContact O-N 2.63Å; D163-R166 IonicContact OD1-NH1 3.75Å; K164-R166 PolarHBondContact O-N 3.5Å; R166-R169 PolarHBondContact O-N 3.33Å; R166-M170 WeakPolarHBondContact O-CB 3.34Å; R166-M170 PolarHBondContact O-N 3.28Å |
| 167 | S | 96.9 | Very high | 96.4 | Very high | 72 Ų | 72 | 112.7 Ų | 112.7 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | D163 K164 E165 R169 M170 M171 | D163-S167 WeakPolarHBondContact O-CB 3.32Å; D163-S167 PolarHBondContact O-N 3.29Å; K164-S167 PolarHBondContact O-N 3.14Å; E165-S167 VanDerWaalsContact C-N 3.33Å; E165-S167 PolarHBondContact O-N 3.48Å; S167-R169 PolarHBondContact O-N 2.91Å; S167-M170 PolarHBondContact O-N 2.92Å; S167-M171 PolarHBondContact O-N 3.49Å |
| 168 | V | 96.9 | Very high | 96.2 | Very high | 77 Ų | 77 | 109.5 Ų | 109.5 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | K164 E165 M171 L172 | K164-V168 WeakPolarHBondContact O-CG2 3.45Å; K164-V168 PolarHBondContact O-N 3.13Å; E165-V168 PolarHBondContact O-N 2.91Å; V168-M171 WeakPolarHBondContact O-CB 3.38Å; V168-M171 PolarHBondContact O-N 2.88Å; V168-L172 HydrophobicContact CG1-CD1 4.04Å; V168-L172 HydrophobicContact CG1-CG 4.43Å; V168-L172 WeakPolarHBondContact O-CG 3.4Å; V168-L172 PolarHBondContact O-N 3.15Å |
| 169 | R | 97.8 | Very high | 96 | Very high | 138 Ų | 138 | 110.3 Ų | 110.3 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177 | -175.8 | 171.8 | -62.6 | -158.5 | 2.5 | 111.3 | E165 R166 S167 M171 L172 E173 | E165-R169 VanDerWaalsContact O-CB 3.29Å; E165-R169 WeakPolarHBondContact O-CB 3.45Å; E165-R169 PolarHBondContact O-N 2.91Å; E165-R169 IonicContact OE1-CZ 3.5Å; E165-R169 IonicContact OE1-NE 3.75Å; E165-R169 IonicContact OE1-NH2 2.7Å; E165-R169 PolarHBondContact OE1-NH2 3.46Å; R166-R169 PolarHBondContact O-N 3.33Å; S167-R169 PolarHBondContact O-N 2.91Å; R169-M171 VanDerWaalsContact C-N 3.33Å; R169-M171 PolarHBondContact O-N 3.02Å; R169-L172 PolarHBondContact O-N 2.9Å; R169-E173 HydrophobicContact CG-CG 4.33Å; R169-E173 WeakPolarHBondContact CG-OE1 3.31Å; R169-E173 WeakPolarHBondContact O-CB 3.49Å; R169-E173 VanDerWaalsContact O-CG 3.31Å; R169-E173 WeakPolarHBondContact O-CG 3.43Å; R169-E173 PolarHBondContact O-N 3.01Å |
| 170 | M | 96.4 | Very high | 95.7 | Very high | 133 Ų | 133 | 108.9 Ų | 108.9 | 66% | 0.655 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.1 | -44.6 | 175.4 | -174.4 | -176.4 | -63 | 0 | 0 | 111.5 | R166 S167 L172 E173 E174 | R166-M170 WeakPolarHBondContact O-CB 3.34Å; R166-M170 PolarHBondContact O-N 3.28Å; S167-M170 PolarHBondContact O-N 2.92Å; M170-L172 PolarHBondContact O-N 3.38Å; M170-E173 PolarHBondContact O-N 3.46Å; M170-E174 WeakPolarHBondContact O-CB 3.47Å; M170-E174 PolarHBondContact O-N 3.01Å |
| 171 | M | 97.2 | Very high | 95.2 | Very high | 102 Ų | 102 | 107.1 Ų | 107.1 | 50% | 0.502 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 176.8 | -174.1 | -165.7 | -59.5 | 0 | 0 | 112.1 | S167 V168 R169 E174 Q175 | S167-M171 PolarHBondContact O-N 3.49Å; V168-M171 WeakPolarHBondContact O-CB 3.38Å; V168-M171 PolarHBondContact O-N 2.88Å; R169-M171 VanDerWaalsContact C-N 3.33Å; R169-M171 PolarHBondContact O-N 3.02Å; M171-E174 PolarHBondContact O-N 2.9Å; M171-Q175 WeakPolarHBondContact O-CG 3.41Å; M171-Q175 PolarHBondContact O-N 3.16Å |
| 172 | L | 96.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 107.7 Ų | 107.7 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 178.4 | -72.8 | 173.6 | 0 | 0 | 0 | 112 | V168 R169 M170 E174 Q175 V176 | V168-L172 HydrophobicContact CG1-CD1 4.04Å; V168-L172 HydrophobicContact CG1-CG 4.43Å; V168-L172 WeakPolarHBondContact O-CG 3.4Å; V168-L172 PolarHBondContact O-N 3.15Å; R169-L172 PolarHBondContact O-N 2.9Å; M170-L172 PolarHBondContact O-N 3.38Å; L172-E174 VanDerWaalsContact C-N 3.28Å; L172-E174 PolarHBondContact O-N 3.36Å; L172-Q175 PolarHBondContact O-N 3.13Å; L172-V176 WeakPolarHBondContact O-CG2 3.48Å; L172-V176 PolarHBondContact O-N 2.99Å |
| 173 | E | 96.3 | Very high | 94.1 | Very high | 110 Ų | 110 | 109.1 Ų | 109.1 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 174.9 | -75.7 | 175.1 | -172.1 | 0 | 0 | 111.6 | R169 M170 R177 | R169-E173 HydrophobicContact CG-CG 4.33Å; R169-E173 WeakPolarHBondContact CG-OE1 3.31Å; R169-E173 WeakPolarHBondContact O-CB 3.49Å; R169-E173 VanDerWaalsContact O-CG 3.31Å; R169-E173 WeakPolarHBondContact O-CG 3.43Å; R169-E173 PolarHBondContact O-N 3.01Å; M170-E173 PolarHBondContact O-N 3.46Å; E173-R177 VanDerWaalsContact O-CB 3.27Å; E173-R177 WeakPolarHBondContact O-CB 3.5Å; E173-R177 PolarHBondContact O-N 3.1Å |
| 174 | E | 96.3 | Very high | 93.5 | Very high | 139 Ų | 139 | 112.1 Ų | 112.1 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 173.9 | -174.9 | 171.5 | -145.4 | 0 | 0 | 112 | M170 M171 L172 R177 S178 | M170-E174 WeakPolarHBondContact O-CB 3.47Å; M170-E174 PolarHBondContact O-N 3.01Å; M171-E174 PolarHBondContact O-N 2.9Å; L172-E174 VanDerWaalsContact C-N 3.28Å; L172-E174 PolarHBondContact O-N 3.36Å; E174-R177 PolarHBondContact O-N 2.8Å; E174-S178 WeakPolarHBondContact O-CB 3.35Å; E174-S178 PolarHBondContact O-N 3.44Å |
| 175 | Q | 95.6 | Very high | 92.7 | Very high | 105 Ų | 105 | 108.7 Ų | 108.7 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.5 | -73.8 | -176.1 | 14.3 | 0 | 0 | 112 | M171 L172 S178 L179 | M171-Q175 WeakPolarHBondContact O-CG 3.41Å; M171-Q175 PolarHBondContact O-N 3.16Å; L172-Q175 PolarHBondContact O-N 3.13Å; Q175-S178 PolarHBondContact O-N 2.97Å; Q175-L179 WeakPolarHBondContact O-CG 3.29Å; Q175-L179 PolarHBondContact O-N 3.2Å |
| 176 | V | 94.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 108.3 Ų | 108.3 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 110 | L172 S178 L179 E180 | L172-V176 WeakPolarHBondContact O-CG2 3.48Å; L172-V176 PolarHBondContact O-N 2.99Å; V176-S178 VanDerWaalsContact C-N 3.27Å; V176-S178 PolarHBondContact O-N 3.09Å; V176-L179 PolarHBondContact O-N 3.44Å; V176-E180 HydrophobicContact CG1-CG 4.26Å; V176-E180 WeakPolarHBondContact O-CB 3.46Å; V176-E180 WeakPolarHBondContact O-CG 3.34Å; V176-E180 PolarHBondContact O-N 3.48Å |
| 177 | R | 94.2 | Very high | 91.6 | Very high | 182 Ų | 182 | 107.6 Ų | 107.6 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 178.2 | -171 | -177.5 | -64.4 | -172.8 | 1.4 | 111.9 | E173 E174 A181 | E173-R177 VanDerWaalsContact O-CB 3.27Å; E173-R177 WeakPolarHBondContact O-CB 3.5Å; E173-R177 PolarHBondContact O-N 3.1Å; E174-R177 PolarHBondContact O-N 2.8Å; R177-A181 WeakPolarHBondContact O-CB 3.32Å; R177-A181 PolarHBondContact O-N 3.07Å |
| 178 | S | 92.8 | Very high | 91 | Very high | 59 Ų | 59 | 108.3 Ų | 108.3 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 176 | -177 | 0 | 0 | 0 | 0 | 111.9 | E174 Q175 V176 E180 A181 H182 | E174-S178 WeakPolarHBondContact O-CB 3.35Å; E174-S178 PolarHBondContact O-N 3.44Å; Q175-S178 PolarHBondContact O-N 2.97Å; V176-S178 VanDerWaalsContact C-N 3.27Å; V176-S178 PolarHBondContact O-N 3.09Å; S178-E180 VanDerWaalsContact C-N 3.34Å; S178-E180 PolarHBondContact O-N 3.44Å; S178-A181 PolarHBondContact O-N 3.43Å; S178-H182 PolarHBondContact O-N 2.92Å; S178-H182 PolarHBondContact O-ND1 3.33Å |
| 179 | L | 90.9 | Very high | 90.5 | Very high | 117 Ų | 117 | 110.5 Ų | 110.5 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 176.8 | -72.6 | 172.6 | 0 | 0 | 0 | 111.8 | Q175 V176 H182 M183 | Q175-L179 WeakPolarHBondContact O-CG 3.29Å; Q175-L179 PolarHBondContact O-N 3.2Å; V176-L179 PolarHBondContact O-N 3.44Å; L179-H182 PolarHBondContact O-N 3.23Å; L179-M183 WeakPolarHBondContact O-CB 3.32Å; L179-M183 WeakPolarHBondContact O-CG 3.48Å; L179-M183 PolarHBondContact O-N 3.29Å |
| 180 | E | 87.9 | Confident | 90.1 | Very high | 119 Ų | 119 | 107.9 Ų | 107.9 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 174.5 | -74.4 | -176.9 | 157.8 | 0 | 0 | 111.3 | V176 S178 H182 M183 Y184 | V176-E180 HydrophobicContact CG1-CG 4.26Å; V176-E180 WeakPolarHBondContact O-CB 3.46Å; V176-E180 WeakPolarHBondContact O-CG 3.34Å; V176-E180 PolarHBondContact O-N 3.48Å; S178-E180 VanDerWaalsContact C-N 3.34Å; S178-E180 PolarHBondContact O-N 3.44Å; E180-H182 VanDerWaalsContact C-N 3.26Å; E180-H182 PolarHBondContact O-N 2.98Å; E180-M183 PolarHBondContact O-N 3.32Å; E180-M183 VanDerWaalsContact O-N 3.13Å; E180-Y184 VanDerWaalsContact O-CB 3.23Å; E180-Y184 WeakPolarHBondContact O-CB 3.35Å; E180-Y184 PolarHBondContact O-N 3.48Å |
| 181 | A | 87.7 | Confident | 89.7 | Confident | 64 Ų | 64 | 106.6 Ų | 106.6 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -34.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R177 S178 P185 | R177-A181 WeakPolarHBondContact O-CB 3.32Å; R177-A181 PolarHBondContact O-N 3.07Å; S178-A181 PolarHBondContact O-N 3.43Å; A181-P185 WeakPolarHBondContact O-CD 3.36Å |
| 182 | H | 86.5 | Confident | 89.3 | Confident | 136 Ų | 136 | 104.6 Ų | 104.6 | 63% | 0.63 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -76 | -30.1 | 175.5 | -72.9 | 82.7 | 0 | 0 | 0 | 113.1 | S178 L179 E180 | S178-H182 PolarHBondContact O-N 2.92Å; S178-H182 PolarHBondContact O-ND1 3.33Å; L179-H182 PolarHBondContact O-N 3.23Å; E180-H182 VanDerWaalsContact C-N 3.26Å; E180-H182 PolarHBondContact O-N 2.98Å |
| 183 | M | 83.5 | Confident | 89.1 | Confident | 102 Ų | 102 | 106.9 Ų | 106.9 | 50% | 0.502 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -93.6 | -23.4 | -176.5 | -67.7 | -84 | 68.3 | 0 | 0 | 114.4 | L179 E180 P185 E186 K187 | L179-M183 WeakPolarHBondContact O-CB 3.32Å; L179-M183 WeakPolarHBondContact O-CG 3.48Å; L179-M183 PolarHBondContact O-N 3.29Å; E180-M183 PolarHBondContact O-N 3.32Å; E180-M183 VanDerWaalsContact O-N 3.13Å; M183-P185 VanDerWaalsContact C-CD 3.47Å; M183-E186 HydrophobicContact CE-CB 4.42Å; M183-E186 HydrophobicContact CE-CG 4.29Å; M183-E186 PolarHBondContact O-N 3.45Å; M183-E186 VanDerWaalsContact O-N 3.17Å; M183-K187 PolarHBondContact O-N 2.94Å |
| 184 | Y | 82.9 | Confident | 88.9 | Confident | 155 Ų | 155 | 108.1 Ų | 108.1 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -57.9 | -41.6 | 179 | -165.3 | -102.1 | 0 | 0 | 0 | 113.4 | E180 E186 K187 L188 | E180-Y184 VanDerWaalsContact O-CB 3.23Å; E180-Y184 WeakPolarHBondContact O-CB 3.35Å; E180-Y184 PolarHBondContact O-N 3.48Å; Y184-E186 VanDerWaalsContact C-N 3.28Å; Y184-E186 PolarHBondContact O-N 3.29Å; Y184-K187 PolarHBondContact O-N 3.45Å; Y184-L188 HydrophobicContact CD1-CD1 3.46Å; Y184-L188 VanDerWaalsContact CD1-CD1 3.46Å; Y184-L188 HydrophobicContact CD2-CD1 4.36Å; Y184-L188 HydrophobicContact CE1-CD1 3.11Å; Y184-L188 HydrophobicContact CE1-CG 4.46Å; Y184-L188 HydrophobicContact CE2-CD1 4.07Å; Y184-L188 HydrophobicContact CG-CD1 4.07Å; Y184-L188 VanDerWaalsContact CZ-CD1 3.44Å; Y184-L188 WeakPolarHBondContact O-CD1 3.49Å; Y184-L188 PolarHBondContact O-N 2.95Å |
| 185 | P | 81.7 | Confident | 88.8 | Confident | 62 Ų | 62 | 105.1 Ų | 105.1 | 40% | 0.403 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58 | -38.8 | 174.9 | -24 | 33.9 | 0 | 0 | 0 | 113.1 | A181 M183 L188 K189 | A181-P185 WeakPolarHBondContact O-CD 3.36Å; M183-P185 VanDerWaalsContact C-CD 3.47Å; P185-L188 PolarHBondContact O-N 2.87Å; P185-K189 WeakPolarHBondContact O-CG 3.43Å; P185-K189 PolarHBondContact O-N 3.31Å |
| 186 | E | 86.4 | Confident | 88.6 | Confident | 86 Ų | 86 | 106.9 Ų | 106.9 | 40% | 0.402 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.5 | -37.3 | 178.9 | -66.5 | -49 | 146.5 | 0 | 0 | 112.7 | M183 Y184 L188 K189 V190 | M183-E186 HydrophobicContact CE-CB 4.42Å; M183-E186 HydrophobicContact CE-CG 4.29Å; M183-E186 PolarHBondContact O-N 3.45Å; M183-E186 VanDerWaalsContact O-N 3.17Å; Y184-E186 VanDerWaalsContact C-N 3.28Å; Y184-E186 PolarHBondContact O-N 3.29Å; E186-L188 VanDerWaalsContact C-N 3.3Å; E186-L188 PolarHBondContact O-N 3.45Å; E186-K189 PolarHBondContact O-N 2.78Å; E186-K189 IonicContact OE1-NZ 2.71Å; E186-K189 PolarHBondContact OE1-NZ 3.04Å; E186-K189 WeakPolarHBondContact OE2-CD 3.37Å; E186-K189 IonicContact OE2-NZ 3.66Å; E186-V190 WeakPolarHBondContact O-CG2 3.31Å; E186-V190 PolarHBondContact O-N 3.48Å |
| 187 | K | 84.3 | Confident | 88.6 | Confident | 132 Ų | 132 | 108 Ų | 108 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.2 | -42.4 | 171.3 | -69.6 | -179.5 | -179.2 | 178.1 | 0 | 111.3 | M183 Y184 V190 I191 | M183-K187 PolarHBondContact O-N 2.94Å; Y184-K187 PolarHBondContact O-N 3.45Å; K187-V190 PolarHBondContact O-N 3.34Å; K187-I191 WeakPolarHBondContact O-CD1 3.25Å; K187-I191 VanDerWaalsContact O-CG1 3.25Å; K187-I191 WeakPolarHBondContact O-CG1 3.47Å; K187-I191 PolarHBondContact O-N 3.34Å |
| 188 | L | 85 | Confident | 88.5 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -43 | 175.3 | -100.1 | 87.3 | 0 | 0 | 0 | 112.5 | Y184 P185 E186 V190 I191 A192 | Y184-L188 HydrophobicContact CD1-CD1 3.46Å; Y184-L188 VanDerWaalsContact CD1-CD1 3.46Å; Y184-L188 HydrophobicContact CD2-CD1 4.36Å; Y184-L188 HydrophobicContact CE1-CD1 3.11Å; Y184-L188 HydrophobicContact CE1-CG 4.46Å; Y184-L188 HydrophobicContact CE2-CD1 4.07Å; Y184-L188 HydrophobicContact CG-CD1 4.07Å; Y184-L188 VanDerWaalsContact CZ-CD1 3.44Å; Y184-L188 WeakPolarHBondContact O-CD1 3.49Å; Y184-L188 PolarHBondContact O-N 2.95Å; P185-L188 PolarHBondContact O-N 2.87Å; E186-L188 VanDerWaalsContact C-N 3.3Å; E186-L188 PolarHBondContact O-N 3.45Å; L188-V190 PolarHBondContact O-N 2.79Å; L188-I191 PolarHBondContact O-N 3.08Å; L188-A192 VanDerWaalsContact O-CB 3.32Å; L188-A192 WeakPolarHBondContact O-CB 3.45Å; L188-A192 PolarHBondContact O-N 3.16Å |
| 189 | K | 85.9 | Confident | 88.5 | Confident | 123 Ų | 123 | 108.2 Ų | 108.2 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 177.8 | -75.2 | 165.7 | 176.8 | 179.4 | 0 | 111.9 | P185 E186 A192 Q193 | P185-K189 WeakPolarHBondContact O-CG 3.43Å; P185-K189 PolarHBondContact O-N 3.31Å; E186-K189 PolarHBondContact O-N 2.78Å; E186-K189 IonicContact OE1-NZ 2.71Å; E186-K189 PolarHBondContact OE1-NZ 3.04Å; E186-K189 WeakPolarHBondContact OE2-CD 3.37Å; E186-K189 IonicContact OE2-NZ 3.66Å; K189-A192 PolarHBondContact O-N 3.29Å; K189-Q193 WeakPolarHBondContact O-CB 3.23Å; K189-Q193 PolarHBondContact O-N 3.05Å |
| 190 | V | 89.3 | Confident | 88.5 | Confident | 83 Ų | 83 | 108.6 Ų | 108.6 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 177 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | E186 K187 L188 Q193 Q194 | E186-V190 WeakPolarHBondContact O-CG2 3.31Å; E186-V190 PolarHBondContact O-N 3.48Å; K187-V190 PolarHBondContact O-N 3.34Å; L188-V190 PolarHBondContact O-N 2.79Å; V190-Q193 PolarHBondContact O-N 3.07Å; V190-Q194 WeakPolarHBondContact O-CB 3.41Å; V190-Q194 PolarHBondContact O-N 3.46Å |
| 191 | I | 88.5 | Confident | 88.7 | Confident | 106 Ų | 106 | 108.9 Ų | 108.9 | 54% | 0.544 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 176.9 | -67.6 | 165.4 | 0 | 0 | 0 | 110.5 | K187 L188 Q193 Q194 V195 | K187-I191 WeakPolarHBondContact O-CD1 3.25Å; K187-I191 VanDerWaalsContact O-CG1 3.25Å; K187-I191 WeakPolarHBondContact O-CG1 3.47Å; K187-I191 PolarHBondContact O-N 3.34Å; L188-I191 PolarHBondContact O-N 3.08Å; I191-Q193 VanDerWaalsContact C-N 3.31Å; I191-Q193 PolarHBondContact O-N 2.93Å; I191-Q194 PolarHBondContact O-N 2.9Å; I191-V195 HydrophobicContact CG2-CG2 4.4Å; I191-V195 WeakPolarHBondContact O-CG2 3.34Å; I191-V195 PolarHBondContact O-N 3.18Å |
| 192 | A | 88.9 | Confident | 88.9 | Confident | 60 Ų | 60 | 111.1 Ų | 111.1 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L188 K189 V195 Q196 | L188-A192 VanDerWaalsContact O-CB 3.32Å; L188-A192 WeakPolarHBondContact O-CB 3.45Å; L188-A192 PolarHBondContact O-N 3.16Å; K189-A192 PolarHBondContact O-N 3.29Å; A192-V195 PolarHBondContact O-N 3.36Å; A192-Q196 WeakPolarHBondContact O-CB 3.39Å; A192-Q196 PolarHBondContact O-N 2.92Å |
| 193 | Q | 92.7 | Very high | 89 | Confident | 143 Ų | 143 | 110.6 Ų | 110.6 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -42.3 | 176.3 | -176.1 | 174.4 | 56.5 | 0 | 0 | 112.1 | K189 V190 I191 Q196 L197 | K189-Q193 WeakPolarHBondContact O-CB 3.23Å; K189-Q193 PolarHBondContact O-N 3.05Å; V190-Q193 PolarHBondContact O-N 3.07Å; I191-Q193 VanDerWaalsContact C-N 3.31Å; I191-Q193 PolarHBondContact O-N 2.93Å; Q193-Q196 PolarHBondContact O-N 3.36Å; Q193-L197 PolarHBondContact O-N 3.41Å |
| 194 | Q | 92.4 | Very high | 89.4 | Confident | 136 Ų | 136 | 110.2 Ų | 110.2 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -41.8 | 178.8 | -176.8 | 156.1 | 21.6 | 0 | 0 | 112.1 | V190 I191 Q196 L197 Q198 | V190-Q194 WeakPolarHBondContact O-CB 3.41Å; V190-Q194 PolarHBondContact O-N 3.46Å; I191-Q194 PolarHBondContact O-N 2.9Å; Q194-Q196 VanDerWaalsContact C-N 3.3Å; Q194-Q196 PolarHBondContact O-N 3.02Å; Q194-L197 PolarHBondContact O-N 3.46Å; Q194-Q198 WeakPolarHBondContact O-CB 3.34Å; Q194-Q198 PolarHBondContact O-N 3.33Å |
| 195 | V | 93.4 | Very high | 89.9 | Confident | 77 Ų | 77 | 111.3 Ų | 111.3 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | I191 A192 L197 Q198 Q199 | I191-V195 HydrophobicContact CG2-CG2 4.4Å; I191-V195 WeakPolarHBondContact O-CG2 3.34Å; I191-V195 PolarHBondContact O-N 3.18Å; A192-V195 PolarHBondContact O-N 3.36Å; V195-L197 PolarHBondContact O-N 2.9Å; V195-Q198 PolarHBondContact O-N 3.44Å; V195-Q199 WeakPolarHBondContact O-CB 3.47Å; V195-Q199 PolarHBondContact O-N 3.25Å |
| 196 | Q | 92.2 | Very high | 90.3 | Very high | 142 Ų | 142 | 113 Ų | 113 | 66% | 0.664 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -40.5 | 178.3 | -170 | 166.8 | -0.5 | 0 | 0 | 112.4 | A192 Q193 Q194 Q200 | A192-Q196 WeakPolarHBondContact O-CB 3.39Å; A192-Q196 PolarHBondContact O-N 2.92Å; Q193-Q196 PolarHBondContact O-N 3.36Å; Q194-Q196 VanDerWaalsContact C-N 3.3Å; Q194-Q196 PolarHBondContact O-N 3.02Å; Q196-Q200 PolarHBondContact O-N 2.93Å; Q196-Q200 VanDerWaalsContact O-N 3.14Å |
| 197 | L | 93.1 | Very high | 90.5 | Very high | 98 Ų | 98 | 114.4 Ų | 114.4 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.9 | -41 | 176.2 | -174 | 64.1 | 0 | 0 | 0 | 112.1 | Q193 Q194 V195 Q199 Q200 Q201 | Q193-L197 PolarHBondContact O-N 3.41Å; Q194-L197 PolarHBondContact O-N 3.46Å; V195-L197 PolarHBondContact O-N 2.9Å; L197-Q199 VanDerWaalsContact C-N 3.34Å; L197-Q199 PolarHBondContact O-N 2.97Å; L197-Q200 PolarHBondContact O-N 3.48Å; L197-Q201 PolarHBondContact O-N 3.04Å |
| 198 | Q | 93.2 | Very high | 90.8 | Very high | 128 Ų | 128 | 113.6 Ų | 113.6 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.9 | -44.6 | 176.3 | -178.2 | 173.1 | 57.2 | 0 | 0 | 111.2 | Q194 V195 Q200 Q201 E202 | Q194-Q198 WeakPolarHBondContact O-CB 3.34Å; Q194-Q198 PolarHBondContact O-N 3.33Å; V195-Q198 PolarHBondContact O-N 3.44Å; Q198-Q200 VanDerWaalsContact C-N 3.27Å; Q198-Q200 PolarHBondContact O-N 2.96Å; Q198-Q201 PolarHBondContact O-N 3.23Å; Q198-E202 WeakPolarHBondContact O-CB 3.37Å; Q198-E202 PolarHBondContact O-N 2.97Å |
| 199 | Q | 92.4 | Very high | 90.8 | Very high | 117 Ų | 117 | 114.1 Ų | 114.1 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -34.5 | 178.3 | -160.9 | 177.9 | 83.2 | 0 | 0 | 111.9 | V195 L197 E202 Q203 | V195-Q199 WeakPolarHBondContact O-CB 3.47Å; V195-Q199 PolarHBondContact O-N 3.25Å; L197-Q199 VanDerWaalsContact C-N 3.34Å; L197-Q199 PolarHBondContact O-N 2.97Å; Q199-E202 PolarHBondContact O-N 2.85Å; Q199-Q203 PolarHBondContact O-N 3.25Å |
| 200 | Q | 91.4 | Very high | 90.8 | Very high | 124 Ų | 124 | 112.2 Ų | 112.2 | 58% | 0.579 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.3 | -43.4 | 174.2 | -163.9 | -178.8 | 100.4 | 0 | 0 | 112 | Q196 L197 Q198 E202 Q203 V204 | Q196-Q200 PolarHBondContact O-N 2.93Å; Q196-Q200 VanDerWaalsContact O-N 3.14Å; L197-Q200 PolarHBondContact O-N 3.48Å; Q198-Q200 VanDerWaalsContact C-N 3.27Å; Q198-Q200 PolarHBondContact O-N 2.96Å; Q200-E202 VanDerWaalsContact C-N 3.28Å; Q200-E202 PolarHBondContact O-N 3.46Å; Q200-Q203 PolarHBondContact O-N 3.46Å; Q200-V204 WeakPolarHBondContact O-CG2 3.35Å; Q200-V204 PolarHBondContact O-N 3.3Å |
| 201 | Q | 91.3 | Very high | 90.5 | Very high | 126 Ų | 126 | 115.1 Ų | 115.1 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.8 | -38.1 | 174.5 | -78.3 | -173.8 | -5.4 | 0 | 0 | 112.2 | L197 Q198 V204 R205 | L197-Q201 PolarHBondContact O-N 3.04Å; Q198-Q201 PolarHBondContact O-N 3.23Å; Q201-V204 PolarHBondContact O-N 2.86Å; Q201-R205 WeakPolarHBondContact O-CB 3.43Å; Q201-R205 PolarHBondContact O-N 2.84Å |
| 202 | E | 90.9 | Very high | 90.2 | Very high | 111 Ų | 111 | 114.3 Ų | 114.3 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -41.5 | 177.6 | -166.7 | 164.1 | -148.1 | 0 | 0 | 111.7 | Q198 Q199 Q200 V204 R205 L206 | Q198-E202 WeakPolarHBondContact O-CB 3.37Å; Q198-E202 PolarHBondContact O-N 2.97Å; Q199-E202 PolarHBondContact O-N 2.85Å; Q200-E202 VanDerWaalsContact C-N 3.28Å; Q200-E202 PolarHBondContact O-N 3.46Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.46Å; E202-R205 WeakPolarHBondContact O-CB 3.5Å; E202-R205 PolarHBondContact O-N 3.48Å; E202-L206 WeakPolarHBondContact O-CG 3.47Å; E202-L206 PolarHBondContact O-N 2.87Å |
| 203 | Q | 90.3 | Very high | 89.8 | Confident | 124 Ų | 124 | 116.2 Ų | 116.2 | 58% | 0.579 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -58.2 | -44.1 | 171 | -83.1 | -172.4 | 51 | 0 | 0 | 112.3 | Q199 Q200 R205 L206 L207 | Q199-Q203 PolarHBondContact O-N 3.25Å; Q200-Q203 PolarHBondContact O-N 3.46Å; Q203-R205 VanDerWaalsContact C-N 3.33Å; Q203-R205 PolarHBondContact O-N 2.91Å; Q203-L206 PolarHBondContact O-N 3.35Å; Q203-L207 PolarHBondContact O-N 3.04Å |
| 204 | V | 91.4 | Very high | 89.2 | Confident | 95 Ų | 95 | 115.9 Ų | 115.9 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | 177.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | Q200 Q201 E202 L207 H208 | Q200-V204 WeakPolarHBondContact O-CG2 3.35Å; Q200-V204 PolarHBondContact O-N 3.3Å; Q201-V204 PolarHBondContact O-N 2.86Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.46Å; V204-L207 PolarHBondContact O-N 3.44Å; V204-H208 WeakPolarHBondContact O-CB 3.43Å; V204-H208 PolarHBondContact O-N 3.45Å |
| 205 | R | 92.6 | Very high | 88.3 | Confident | 177 Ų | 177 | 114.8 Ų | 114.8 | 67% | 0.668 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 176.8 | -171.1 | -167.2 | -59 | -153.8 | 1.8 | 111.4 | Q201 E202 Q203 H208 Q209 | Q201-R205 WeakPolarHBondContact O-CB 3.43Å; Q201-R205 PolarHBondContact O-N 2.84Å; E202-R205 WeakPolarHBondContact O-CB 3.5Å; E202-R205 PolarHBondContact O-N 3.48Å; Q203-R205 VanDerWaalsContact C-N 3.33Å; Q203-R205 PolarHBondContact O-N 2.91Å; R205-H208 PolarHBondContact O-N 3.06Å; R205-Q209 PolarHBondContact O-N 2.89Å |
| 206 | L | 91.2 | Very high | 87.2 | Confident | 98 Ų | 98 | 117.5 Ų | 117.5 | 51% | 0.513 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.6 | -44.5 | 178.1 | -71.7 | 171.3 | 0 | 0 | 0 | 111.6 | E202 Q203 H208 Q209 E210 | E202-L206 WeakPolarHBondContact O-CG 3.47Å; E202-L206 PolarHBondContact O-N 2.87Å; Q203-L206 PolarHBondContact O-N 3.35Å; L206-H208 VanDerWaalsContact C-N 3.3Å; L206-H208 PolarHBondContact O-N 3.35Å; L206-Q209 PolarHBondContact O-N 3.26Å; L206-E210 WeakPolarHBondContact O-CB 3.48Å; L206-E210 PolarHBondContact O-N 3.26Å |
| 207 | L | 90.1 | Very high | 86 | Confident | 116 Ų | 116 | 116.7 Ų | 116.7 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.1 | -40 | 175.6 | -111.9 | 169.8 | 0 | 0 | 0 | 112.3 | Q203 V204 K211 | Q203-L207 PolarHBondContact O-N 3.04Å; V204-L207 PolarHBondContact O-N 3.44Å; L207-K211 WeakPolarHBondContact O-CB 3.4Å; L207-K211 PolarHBondContact O-N 3.41Å |
| 208 | H | 89.6 | Confident | 84.6 | Confident | 115 Ų | 115 | 119 Ų | 119 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -42.2 | 176.7 | -172.7 | 76.3 | 0 | 0 | 0 | 112 | V204 R205 L206 K211 L212 | V204-H208 WeakPolarHBondContact O-CB 3.43Å; V204-H208 PolarHBondContact O-N 3.45Å; R205-H208 PolarHBondContact O-N 3.06Å; L206-H208 VanDerWaalsContact C-N 3.3Å; L206-H208 PolarHBondContact O-N 3.35Å; H208-K211 WeakPolarHBondContact O-CB 3.46Å; H208-K211 PolarHBondContact O-N 2.9Å; H208-L212 WeakPolarHBondContact O-CG 3.39Å; H208-L212 PolarHBondContact O-N 3.37Å |
| 209 | Q | 87 | Confident | 83.1 | Confident | 98 Ų | 98 | 118.1 Ų | 118.1 | 46% | 0.458 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -46.4 | 175 | -177.6 | 174.7 | 21 | 0 | 0 | 111.4 | R205 L206 K211 L212 E213 | R205-Q209 PolarHBondContact O-N 2.89Å; L206-Q209 PolarHBondContact O-N 3.26Å; Q209-K211 VanDerWaalsContact C-N 3.27Å; Q209-K211 PolarHBondContact O-N 3.45Å; Q209-L212 PolarHBondContact O-N 3.49Å; Q209-L212 VanDerWaalsContact O-N 3.17Å; Q209-E213 WeakPolarHBondContact O-CG 3.23Å; Q209-E213 PolarHBondContact O-N 3.36Å |
| 210 | E | 84.4 | Confident | 81.5 | Confident | 82 Ų | 82 | 121.8 Ų | 121.8 | 38% | 0.383 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.2 | -35.7 | 177.9 | -160.6 | -166.7 | 162 | 0 | 0 | 111.7 | L206 R214 | L206-E210 WeakPolarHBondContact O-CB 3.48Å; L206-E210 PolarHBondContact O-N 3.26Å; E210-R214 VanDerWaalsContact CG-NH1 3.35Å; E210-R214 WeakPolarHBondContact O-CG 3.35Å; E210-R214 PolarHBondContact O-N 2.97Å; E210-R214 IonicContact OE1-CZ 3.07Å; E210-R214 IonicContact OE1-NH1 2.7Å; E210-R214 PolarHBondContact OE1-NH1 2.92Å; E210-R214 IonicContact OE1-NH2 2.66Å; E210-R214 PolarHBondContact OE1-NH2 2.9Å; E210-R214 IonicContact OE2-NH1 3.84Å |
| 211 | K | 83.5 | Confident | 79.8 | Confident | 144 Ų | 144 | 121.4 Ų | 121.4 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.2 | -45.4 | 174.3 | -170.7 | -176.9 | 178 | -172 | 0 | 111.7 | L207 H208 Q209 E213 R214 E215 | L207-K211 WeakPolarHBondContact O-CB 3.4Å; L207-K211 PolarHBondContact O-N 3.41Å; H208-K211 WeakPolarHBondContact O-CB 3.46Å; H208-K211 PolarHBondContact O-N 2.9Å; Q209-K211 VanDerWaalsContact C-N 3.27Å; Q209-K211 PolarHBondContact O-N 3.45Å; K211-E213 VanDerWaalsContact C-N 3.34Å; K211-R214 PolarHBondContact O-N 3.27Å; K211-E215 PolarHBondContact O-N 3.11Å |
| 212 | L | 81.9 | Confident | 78.1 | Confident | 90 Ų | 90 | 123.7 Ų | 123.7 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -40.3 | 176.8 | -73.1 | 169.1 | 0 | 0 | 0 | 111.6 | H208 Q209 E215 Q216 | H208-L212 WeakPolarHBondContact O-CG 3.39Å; H208-L212 PolarHBondContact O-N 3.37Å; Q209-L212 PolarHBondContact O-N 3.49Å; Q209-L212 VanDerWaalsContact O-N 3.17Å; L212-E215 PolarHBondContact O-N 3.42Å; L212-Q216 WeakPolarHBondContact O-CB 3.38Å; L212-Q216 PolarHBondContact O-N 3.31Å |
| 213 | E | 80.6 | Confident | 76.3 | Confident | 99 Ų | 99 | 124.9 Ų | 124.9 | 46% | 0.463 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -41.7 | 176.3 | -74.5 | 178.7 | -176.6 | 0 | 0 | 111.8 | Q209 K211 E215 Q216 Q217 | Q209-E213 WeakPolarHBondContact O-CG 3.23Å; Q209-E213 PolarHBondContact O-N 3.36Å; K211-E213 VanDerWaalsContact C-N 3.34Å; E213-E215 VanDerWaalsContact C-N 3.35Å; E213-E215 PolarHBondContact O-N 3.3Å; E213-Q216 PolarHBondContact O-N 2.95Å; E213-Q217 WeakPolarHBondContact O-CB 3.49Å; E213-Q217 VanDerWaalsContact O-CG 3.32Å; E213-Q217 WeakPolarHBondContact O-CG 3.29Å; E213-Q217 PolarHBondContact O-N 3.12Å |
| 214 | R | 79.3 | Confident | 74 | Confident | 137 Ų | 137 | 126 Ų | 126 | 52% | 0.517 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.9 | -39.5 | 173.3 | -79.3 | -164.5 | -178.7 | 87.6 | 4.6 | 112.9 | E210 K211 Q217 H218 | E210-R214 VanDerWaalsContact CG-NH1 3.35Å; E210-R214 WeakPolarHBondContact O-CG 3.35Å; E210-R214 PolarHBondContact O-N 2.97Å; E210-R214 IonicContact OE1-CZ 3.07Å; E210-R214 IonicContact OE1-NH1 2.7Å; E210-R214 PolarHBondContact OE1-NH1 2.92Å; E210-R214 IonicContact OE1-NH2 2.66Å; E210-R214 PolarHBondContact OE1-NH2 2.9Å; E210-R214 IonicContact OE2-NH1 3.84Å; K211-R214 PolarHBondContact O-N 3.27Å; R214-Q217 PolarHBondContact O-N 3.49Å; R214-H218 PolarHBondContact O-N 3.31Å |
| 215 | E | 73.4 | Confident | 72 | Confident | 113 Ų | 113 | 126.6 Ų | 126.6 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.5 | -42.1 | 177 | -167 | 171.5 | -177.4 | 0 | 0 | 111.1 | K211 L212 E213 H218 L219 | K211-E215 PolarHBondContact O-N 3.11Å; L212-E215 PolarHBondContact O-N 3.42Å; E213-E215 VanDerWaalsContact C-N 3.35Å; E213-E215 PolarHBondContact O-N 3.3Å; E215-H218 WeakPolarHBondContact O-CB 3.35Å; E215-H218 PolarHBondContact O-N 3.02Å; E215-L219 PolarHBondContact O-N 2.95Å |
| 216 | Q | 71.1 | Confident | 69.8 | Low | 134 Ų | 134 | 124 Ų | 124 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.4 | -37.7 | 175.5 | -154.2 | -168.2 | 111.8 | 0 | 0 | 112.1 | L212 E213 L219 R220 | L212-Q216 WeakPolarHBondContact O-CB 3.38Å; L212-Q216 PolarHBondContact O-N 3.31Å; E213-Q216 PolarHBondContact O-N 2.95Å; Q216-L219 PolarHBondContact O-N 3.1Å; Q216-R220 VanDerWaalsContact O-CB 3.31Å; Q216-R220 WeakPolarHBondContact O-CB 3.35Å; Q216-R220 PolarHBondContact O-N 3.47Å |
| 217 | Q | 66.3 | Low | 67.6 | Low | 125 Ų | 125 | 125.3 Ų | 125.3 | 58% | 0.584 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.4 | -36.8 | 173.1 | -76.9 | -178.7 | 4 | 0 | 0 | 112.3 | E213 R214 R220 T221 | E213-Q217 WeakPolarHBondContact O-CB 3.49Å; E213-Q217 VanDerWaalsContact O-CG 3.32Å; E213-Q217 WeakPolarHBondContact O-CG 3.29Å; E213-Q217 PolarHBondContact O-N 3.12Å; R214-Q217 PolarHBondContact O-N 3.49Å; Q217-R220 PolarHBondContact O-N 3.33Å; Q217-T221 WeakPolarHBondContact O-CB 3.36Å; Q217-T221 PolarHBondContact O-N 3.32Å; Q217-T221 PolarHBondContact O-OG1 3.41Å |
| 218 | H | 64.4 | Low | 65 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 67% | 0.671 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.6 | -45.4 | 172.1 | -101.2 | 128.5 | 0 | 0 | 0 | 111.8 | R214 E215 R220 T221 Q222 | R214-H218 PolarHBondContact O-N 3.31Å; E215-H218 WeakPolarHBondContact O-CB 3.35Å; E215-H218 PolarHBondContact O-N 3.02Å; H218-R220 VanDerWaalsContact C-N 3.33Å; H218-R220 PolarHBondContact O-N 2.85Å; H218-T221 PolarHBondContact O-N 3.48Å; H218-Q222 PolarHBondContact O-N 2.83Å |
| 219 | L | 62.4 | Low | 63.2 | Low | 111 Ų | 111 | 124.4 Ų | 124.4 | 58% | 0.581 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.7 | -38.7 | 175.5 | -85.8 | 149.4 | 0 | 0 | 0 | 112.2 | E215 Q216 | E215-L219 PolarHBondContact O-N 2.95Å; Q216-L219 PolarHBondContact O-N 3.1Å |
| 220 | R | 58.3 | Low | 60.8 | Low | 193 Ų | 193 | 125.8 Ų | 125.8 | 73% | 0.728 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.6 | -32.3 | 179.8 | -165.3 | 176.3 | 177.9 | 141.2 | 0.4 | 113.1 | Q216 Q217 H218 Q222 L223 | Q216-R220 VanDerWaalsContact O-CB 3.31Å; Q216-R220 WeakPolarHBondContact O-CB 3.35Å; Q216-R220 PolarHBondContact O-N 3.47Å; Q217-R220 PolarHBondContact O-N 3.33Å; H218-R220 VanDerWaalsContact C-N 3.33Å; H218-R220 PolarHBondContact O-N 2.85Å; R220-Q222 VanDerWaalsContact C-N 3.28Å; R220-Q222 PolarHBondContact O-N 3.44Å; R220-L223 PolarHBondContact O-N 2.97Å |
| 221 | T | 56.5 | Low | 58.7 | Low | 117 Ų | 117 | 130.6 Ų | 130.6 | 72% | 0.718 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.1 | -24.4 | 177.8 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | Q217 H218 | Q217-T221 WeakPolarHBondContact O-CB 3.36Å; Q217-T221 PolarHBondContact O-N 3.32Å; Q217-T221 PolarHBondContact O-OG1 3.41Å; H218-T221 PolarHBondContact O-N 3.48Å |
| 222 | Q | 55.1 | Low | 56.5 | Low | 174 Ų | 174 | 131.9 Ų | 131.9 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -6.2 | 178.1 | -72.4 | -139.3 | 80.4 | 0 | 0 | 115.2 | H218 R220 | H218-Q222 PolarHBondContact O-N 2.83Å; R220-Q222 VanDerWaalsContact C-N 3.28Å; R220-Q222 PolarHBondContact O-N 3.44Å |
| 223 | L | 52.5 | Low | 54.7 | Low | 136 Ų | 136 | 133.3 Ų | 133.3 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -121.6 | 5.3 | -167.2 | -77 | 172.3 | 0 | 0 | 0 | 117 | R220 | R220-L223 PolarHBondContact O-N 2.97Š|
| 224 | L | 41.7 | Very low | 52.9 | Low | 148 Ų | 148 | 134.1 Ų | 134.1 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | trans | -136 | 134 | 177.8 | -119.2 | 86.2 | 0 | 0 | 0 | 114.4 | ||||
| 225 | P | 50.7 | Low | 50.9 | Low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 165.3 | 166.2 | 34.4 | -32.6 | 0 | 0 | 0 | 110.9 | ||
| 226 | P | 45.4 | Very low | 49.6 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 140.4 | -173.5 | 30.4 | -33.3 | 0 | 0 | 0 | 111 | ||
| 227 | P | 45.3 | Very low | 48.1 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 135.1 | 177.5 | 32.2 | -30.3 | 0 | 0 | 0 | 111.2 | ||
| 228 | A | 35.6 | Very low | 47.3 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 151.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 229 | P | 51.3 | Low | 46.2 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 135.4 | -169.1 | 35.4 | -28.6 | 0 | 0 | 0 | 111.8 | ||
| 230 | T | 37.7 | Very low | 45.8 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -148.7 | 120.7 | 160.9 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 231 | H | 39.5 | Very low | 45.8 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -68.9 | 137.8 | 169.9 | -79 | -113.8 | 0 | 0 | 0 | 113.4 | ||||
| 232 | H | 37.9 | Very low | 45.8 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | trans | -165.4 | 158.6 | 139.4 | 29.5 | -77.3 | 0 | 0 | 0 | 113.9 | ||||
| 233 | P | 43.9 | Very low | 45.7 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -108.1 | 164.6 | -143.3 | 39.8 | -32.1 | 0 | 0 | 0 | 115.9 | ||||
| 234 | T | 41.7 | Very low | 45.6 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | trans | -50 | 135.4 | -179.7 | -46.3 | 0 | 0 | 0 | 0 | 116.3 | I236 | T234-I236 HydrophobicContact CG2-CD1 4.16Å; T234-I236 HydrophobicContact CG2-CG1 3.77Å | ||
| 235 | V | 39.1 | Very low | 45.5 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | trans | -129.4 | 115.6 | 153.1 | 177 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 236 | I | 44.6 | Very low | 45 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -87.6 | 125.1 | 177.5 | -68.4 | 162.6 | 0 | 0 | 0 | 108.5 | T234 | T234-I236 HydrophobicContact CG2-CD1 4.16Å; T234-I236 HydrophobicContact CG2-CG1 3.77Å | ||
| 237 | V | 40.8 | Very low | 44.8 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -119.8 | 128.9 | 163.6 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 238 | P | 48.4 | Very low | 44.6 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 133.2 | 179.1 | -11.1 | 26.8 | 0 | 0 | 0 | 111.7 | ||
| 239 | A | 41.4 | Very low | 44.9 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 148.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 240 | P | 53.2 | Low | 44.4 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 156.2 | 176.5 | 30.6 | -33.4 | 0 | 0 | 0 | 112.7 | ||
| 241 | P | 59.2 | Low | 44.6 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 148.6 | -173.5 | 28.4 | -33.8 | 0 | 0 | 0 | 113.5 | ||
| 242 | P | 57.2 | Low | 44.7 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 155.5 | -175.7 | 32 | -34.4 | 0 | 0 | 0 | 113.5 | ||
| 243 | P | 53.5 | Low | 45.3 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 155.4 | 177.7 | 31.3 | -34 | 0 | 0 | 0 | 112.4 | ||
| 244 | P | 50 | Low | 45.4 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 132.3 | -175.5 | 28.1 | -32.9 | 0 | 0 | 0 | 112.1 | ||
| 245 | S | 39.5 | Very low | 45.9 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 129.9 | 177.2 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | H247 | S245-H247 PolarHBondContact O-CE1 2.97Å; S245-H247 VanDerWaalsContact O-CE1 3.26Å; S245-H247 PolarHBondContact O-N 3.49Å; S245-H247 PolarHBondContact O-ND1 3.05Å |
| 246 | H | 39.5 | Very low | 46 | Very low | 188 Ų | 188 | 124.8 Ų | 124.8 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 121.6 | 168.3 | -66.1 | -72.1 | 0 | 0 | 0 | 111.3 | I248 | H246-I248 PolarHBondContact O-N 3.03Š|
| 247 | H | 41.9 | Very low | 46.2 | Very low | 162 Ų | 162 | 122.4 Ų | 122.4 | 75% | 0.75 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -80 | 119.6 | 174.1 | -43.9 | -57.4 | 0 | 0 | 0 | 109.6 | S245 | S245-H247 PolarHBondContact O-CE1 2.97Å; S245-H247 VanDerWaalsContact O-CE1 3.26Å; S245-H247 PolarHBondContact O-N 3.49Å; S245-H247 PolarHBondContact O-ND1 3.05Å |
| 248 | I | 40.8 | Very low | 46.8 | Very low | 152 Ų | 152 | 121.5 Ų | 121.5 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 125.2 | 167.7 | -66.9 | 169.1 | 0 | 0 | 0 | 107.6 | H246 V250 | H246-I248 PolarHBondContact O-N 3.03Å; I248-V250 HydrophobicContact CG2-CG2 4.46Å; I248-V250 PolarHBondContact O-N 3.14Å |
| 249 | N | 41.3 | Very low | 47 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | -71.6 | 98.7 | 173.4 | -76.6 | -24.4 | 0 | 0 | 0 | 109.9 | ||||
| 250 | V | 41.1 | Very low | 47.5 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | trans | -86.5 | 117.6 | 160.1 | 179 | 0 | 0 | 0 | 0 | 107.1 | I248 T252 | I248-V250 HydrophobicContact CG2-CG2 4.46Å; I248-V250 PolarHBondContact O-N 3.14Å; V250-T252 PolarHBondContact O-N 3.31Å | ||
| 251 | V | 42.1 | Very low | 47.7 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 78% | 0.782 | 71% | 0.709 | S | S | * | * | trans | -69.1 | 96 | 175.5 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 252 | T | 42 | Very low | 47.7 | Very low | 119 Ų | 119 | 118.6 Ų | 118.6 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | trans | -102.4 | 122.1 | 161.1 | -93.5 | 0 | 0 | 0 | 0 | 107.2 | V250 G254 | V250-T252 PolarHBondContact O-N 3.31Å; T252-G254 VanDerWaalsContact C-N 3.31Å; T252-G254 PolarHBondContact O-N 2.97Å | ||
| 253 | M | 50.3 | Low | 48.2 | Very low | 185 Ų | 185 | 116.7 Ų | 116.7 | 91% | 0.911 | 69% | 0.686 | S | S | * | * | trans | -69.5 | 86.6 | 175.9 | -69.8 | -71.7 | -77 | 0 | 0 | 109.7 | ||||
| 254 | G | 46.3 | Very low | 49 | Very low | 38 Ų | 38 | 114.6 Ų | 114.6 | 39% | 0.392 | 67% | 0.671 | S | S | . | * | trans | -110.3 | 160.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | T252 S256 | T252-G254 VanDerWaalsContact C-N 3.31Å; T252-G254 PolarHBondContact O-N 2.97Å; G254-S256 PolarHBondContact O-N 3.23Å | ||
| 255 | P | 52.1 | Low | 50.3 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 83% | 0.831 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -78.1 | 32.4 | -161.4 | 34.6 | -37.2 | 0 | 0 | 0 | 114.9 | S257 | P255-S257 VanDerWaalsContact C-N 3.31Å; P255-S257 PolarHBondContact O-N 2.91Å |
| 256 | S | 41.3 | Very low | 52.3 | Low | 84 Ų | 84 | 115.8 Ų | 115.8 | 59% | 0.587 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -0.2 | -178.8 | -155.8 | 0 | 0 | 0 | 0 | 114.1 | G254 V258 I259 | G254-S256 PolarHBondContact O-N 3.23Å; S256-V258 PolarHBondContact O-N 3.16Å; S256-I259 PolarHBondContact O-N 3.26Å |
| 257 | S | 49.2 | Very low | 54.4 | Low | 97 Ų | 97 | 113 Ų | 113 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -11.2 | -178.5 | -53 | 0 | 0 | 0 | 0 | 114.5 | P255 | P255-S257 VanDerWaalsContact C-N 3.31Å; P255-S257 PolarHBondContact O-N 2.91Å |
| 258 | V | 52 | Low | 56.3 | Low | 102 Ų | 102 | 109.9 Ų | 109.9 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.9 | -17.4 | -177.2 | -160 | 0 | 0 | 0 | 0 | 112.2 | S256 S261 | S256-V258 PolarHBondContact O-N 3.16Å; V258-S261 PolarHBondContact O-OG 2.86Å |
| 259 | I | 52.3 | Low | 58.6 | Low | 116 Ų | 116 | 107.4 Ų | 107.4 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -83.2 | -29 | -175.9 | -29.3 | 175 | 0 | 0 | 0 | 111.4 | S256 | S256-I259 PolarHBondContact O-N 3.26Å |
| 260 | N | 52.7 | Low | 60.9 | Low | 127 Ų | 127 | 104.6 Ų | 104.6 | 68% | 0.679 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -82.7 | -24.2 | -179.6 | -117.1 | 36.8 | 0 | 0 | 0 | 113.9 | T264 | N260-T264 PolarHBondContact O-N 3.5Å; N260-T264 PolarHBondContact O-OG1 3.11Å |
| 261 | S | 56.4 | Low | 63.3 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 42% | 0.42 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.5 | -32.1 | 175.5 | 56.5 | 0 | 0 | 0 | 0 | 112 | V258 T264 S265 | V258-S261 PolarHBondContact O-OG 2.86Å; S261-T264 WeakPolarHBondContact CA-OG1 3.15Å; S261-T264 PolarHBondContact O-OG1 3.34Å; S261-S265 WeakPolarHBondContact O-CB 3.41Å; S261-S265 PolarHBondContact O-N 2.88Å |
| 262 | V | 60.3 | Low | 65.4 | Low | 87 Ų | 87 | 101.2 Ų | 101.2 | 53% | 0.527 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.6 | -42 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | S265 R266 | V262-S265 PolarHBondContact O-N 3.2Å; V262-R266 WeakPolarHBondContact O-CB 3.3Å; V262-R266 PolarHBondContact O-N 3.27Å |
| 263 | S | 67.4 | Low | 67.8 | Low | 77 Ų | 77 | 99.5 Ų | 99.5 | 54% | 0.538 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.8 | -40.4 | 179.5 | -65.6 | 0 | 0 | 0 | 0 | 112.9 | R266 Q267 | S263-R266 PolarHBondContact O-N 2.87Å; S263-Q267 PolarHBondContact O-N 3.43Å |
| 264 | T | 70.9 | Confident | 69.7 | Low | 73 Ų | 73 | 96.7 Ų | 96.7 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71 | -38.9 | 175.1 | 44 | 0 | 0 | 0 | 0 | 111.9 | N260 S261 R266 Q267 N268 | N260-T264 PolarHBondContact O-N 3.5Å; N260-T264 PolarHBondContact O-OG1 3.11Å; S261-T264 WeakPolarHBondContact CA-OG1 3.15Å; S261-T264 PolarHBondContact O-OG1 3.34Å; T264-R266 VanDerWaalsContact C-N 3.32Å; T264-R266 PolarHBondContact O-N 3.15Å; T264-Q267 PolarHBondContact O-N 2.91Å; T264-N268 PolarHBondContact O-N 2.98Å; T264-N268 PolarHBondContact O-ND2 3.14Å |
| 265 | S | 77.6 | Confident | 71.6 | Confident | 58 Ų | 58 | 97.2 Ų | 97.2 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -38 | 173.7 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | S261 V262 N268 L269 | S261-S265 WeakPolarHBondContact O-CB 3.41Å; S261-S265 PolarHBondContact O-N 2.88Å; V262-S265 PolarHBondContact O-N 3.2Å; S265-N268 PolarHBondContact O-N 3.47Å; S265-L269 WeakPolarHBondContact O-CB 3.38Å; S265-L269 VanDerWaalsContact O-CG 3.31Å; S265-L269 WeakPolarHBondContact O-CG 3.46Å; S265-L269 PolarHBondContact O-N 3.35Å |
| 266 | R | 81.5 | Confident | 73.2 | Confident | 176 Ų | 176 | 94.9 Ų | 94.9 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -46.5 | 175.6 | -120.5 | 171.3 | 168.9 | -105.5 | 0.8 | 111.3 | V262 S263 T264 N268 L269 D270 | V262-R266 WeakPolarHBondContact O-CB 3.3Å; V262-R266 PolarHBondContact O-N 3.27Å; S263-R266 PolarHBondContact O-N 2.87Å; T264-R266 VanDerWaalsContact C-N 3.32Å; T264-R266 PolarHBondContact O-N 3.15Å; R266-N268 VanDerWaalsContact C-N 3.34Å; R266-N268 PolarHBondContact O-N 2.57Å; R266-L269 PolarHBondContact O-N 3.35Å; R266-D270 PolarHBondContact O-N 2.86Å |
| 267 | Q | 82.1 | Confident | 75.3 | Confident | 130 Ų | 130 | 97.1 Ų | 97.1 | 61% | 0.607 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 178 | -170.1 | 176 | 7.2 | 0 | 0 | 112.5 | S263 T264 D270 T271 | S263-Q267 PolarHBondContact O-N 3.43Å; T264-Q267 PolarHBondContact O-N 2.91Å; Q267-D270 PolarHBondContact O-N 3.13Å; Q267-T271 PolarHBondContact O-N 3.01Å; Q267-T271 PolarHBondContact O-OG1 3.28Å |
| 268 | N | 81.4 | Confident | 76.9 | Confident | 97 Ų | 97 | 99 Ų | 99 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 175.9 | -67.9 | -18.8 | 0 | 0 | 0 | 111.7 | T264 S265 R266 T271 I272 | T264-N268 PolarHBondContact O-N 2.98Å; T264-N268 PolarHBondContact O-ND2 3.14Å; S265-N268 PolarHBondContact O-N 3.47Å; R266-N268 VanDerWaalsContact C-N 3.34Å; R266-N268 PolarHBondContact O-N 2.57Å; N268-T271 PolarHBondContact O-N 3.19Å; N268-I272 WeakPolarHBondContact O-CG1 3.37Å; N268-I272 PolarHBondContact O-N 2.88Å |
| 269 | L | 90.8 | Very high | 78.3 | Confident | 100 Ų | 100 | 99.3 Ų | 99.3 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 175.6 | -74.7 | 168.4 | 0 | 0 | 0 | 111.6 | S265 R266 T271 I272 V273 | S265-L269 WeakPolarHBondContact O-CB 3.38Å; S265-L269 VanDerWaalsContact O-CG 3.31Å; S265-L269 WeakPolarHBondContact O-CG 3.46Å; S265-L269 PolarHBondContact O-N 3.35Å; R266-L269 PolarHBondContact O-N 3.35Å; L269-T271 VanDerWaalsContact C-N 3.26Å; L269-T271 PolarHBondContact O-N 2.72Å; L269-I272 PolarHBondContact O-N 3.24Å; L269-I272 VanDerWaalsContact O-N 3.16Å; L269-V273 WeakPolarHBondContact O-CG2 3.42Å; L269-V273 PolarHBondContact O-N 2.83Å |
| 270 | D | 89.8 | Confident | 79.6 | Confident | 95 Ų | 95 | 99 Ų | 99 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 176.9 | -74.1 | -16.9 | 0 | 0 | 0 | 111.8 | R266 Q267 V273 Q274 | R266-D270 PolarHBondContact O-N 2.86Å; Q267-D270 PolarHBondContact O-N 3.13Å; D270-V273 PolarHBondContact O-N 3.41Å; D270-Q274 WeakPolarHBondContact O-CB 3.3Å; D270-Q274 PolarHBondContact O-N 3.36Å |
| 271 | T | 89.7 | Confident | 80.5 | Confident | 80 Ų | 80 | 94.9 Ų | 94.9 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 176.4 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | Q267 N268 L269 A275 | Q267-T271 PolarHBondContact O-N 3.01Å; Q267-T271 PolarHBondContact O-OG1 3.28Å; N268-T271 PolarHBondContact O-N 3.19Å; L269-T271 VanDerWaalsContact C-N 3.26Å; L269-T271 PolarHBondContact O-N 2.72Å; T271-A275 WeakPolarHBondContact O-CB 3.26Å; T271-A275 PolarHBondContact O-N 2.96Å |
| 272 | I | 87.7 | Confident | 81 | Confident | 96 Ų | 96 | 96.1 Ų | 96.1 | 49% | 0.492 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 177 | -67.5 | 164.8 | 0 | 0 | 0 | 110.5 | N268 L269 A275 I276 | N268-I272 WeakPolarHBondContact O-CG1 3.37Å; N268-I272 PolarHBondContact O-N 2.88Å; L269-I272 PolarHBondContact O-N 3.24Å; L269-I272 VanDerWaalsContact O-N 3.16Å; I272-A275 PolarHBondContact O-N 2.73Å; I272-I276 HydrophobicContact CG2-CD1 3.87Å; I272-I276 HydrophobicContact CG2-CG1 4.48Å; I272-I276 WeakPolarHBondContact O-CG1 3.5Å; I272-I276 PolarHBondContact O-N 2.88Å |
| 273 | V | 92.7 | Very high | 81.2 | Confident | 83 Ų | 83 | 96.8 Ų | 96.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 178.3 | 171.9 | 0 | 0 | 0 | 0 | 111 | L269 D270 A275 I276 Q277 | L269-V273 WeakPolarHBondContact O-CG2 3.42Å; L269-V273 PolarHBondContact O-N 2.83Å; D270-V273 PolarHBondContact O-N 3.41Å; V273-A275 VanDerWaalsContact C-N 3.31Å; V273-A275 PolarHBondContact O-N 2.88Å; V273-I276 PolarHBondContact O-N 3.4Å; V273-Q277 WeakPolarHBondContact O-CB 3.41Å; V273-Q277 PolarHBondContact O-N 2.91Å |
| 274 | Q | 88.7 | Confident | 81 | Confident | 126 Ų | 126 | 99.3 Ų | 99.3 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.7 | -39.7 | 174.8 | -81.7 | -178.9 | -0.7 | 0 | 0 | 112.5 | D270 Q277 H278 | D270-Q274 WeakPolarHBondContact O-CB 3.3Å; D270-Q274 PolarHBondContact O-N 3.36Å; Q274-Q277 PolarHBondContact O-N 2.89Å; Q274-H278 WeakPolarHBondContact O-CB 3.29Å; Q274-H278 PolarHBondContact O-CD2 3.46Å; Q274-H278 PolarHBondContact O-N 3.27Å |
| 275 | A | 87.5 | Confident | 80.8 | Confident | 49 Ų | 49 | 102.5 Ų | 102.5 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T271 I272 V273 H278 I279 | T271-A275 WeakPolarHBondContact O-CB 3.26Å; T271-A275 PolarHBondContact O-N 2.96Å; I272-A275 PolarHBondContact O-N 2.73Å; V273-A275 VanDerWaalsContact C-N 3.31Å; V273-A275 PolarHBondContact O-N 2.88Å; A275-H278 PolarHBondContact O-N 3.43Å; A275-I279 WeakPolarHBondContact O-CD1 3.44Å; A275-I279 VanDerWaalsContact O-CG1 3.23Å; A275-I279 WeakPolarHBondContact O-CG1 3.29Å; A275-I279 PolarHBondContact O-N 2.85Å |
| 276 | I | 86 | Confident | 80.2 | Confident | 80 Ų | 80 | 105.8 Ų | 105.8 | 41% | 0.41 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 176 | -67.3 | 167.7 | 0 | 0 | 0 | 110 | I272 V273 H278 I279 E280 | I272-I276 HydrophobicContact CG2-CD1 3.87Å; I272-I276 HydrophobicContact CG2-CG1 4.48Å; I272-I276 WeakPolarHBondContact O-CG1 3.5Å; I272-I276 PolarHBondContact O-N 2.88Å; V273-I276 PolarHBondContact O-N 3.4Å; I276-H278 VanDerWaalsContact C-N 3.29Å; I276-H278 PolarHBondContact O-N 2.96Å; I276-I279 PolarHBondContact O-N 3.44Å; I276-E280 HydrophobicContact CG2-CG 4.15Å; I276-E280 WeakPolarHBondContact CG2-OE1 3.46Å; I276-E280 WeakPolarHBondContact O-CB 3.31Å; I276-E280 WeakPolarHBondContact O-CG 3.34Å; I276-E280 PolarHBondContact O-N 3.04Å |
| 277 | Q | 85.2 | Confident | 79.6 | Confident | 131 Ų | 131 | 102.5 Ų | 102.5 | 61% | 0.612 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -34.2 | -178.9 | -157.6 | 163.2 | 33.1 | 0 | 0 | 112.5 | V273 Q274 G281 | V273-Q277 WeakPolarHBondContact O-CB 3.41Å; V273-Q277 PolarHBondContact O-N 2.91Å; Q274-Q277 PolarHBondContact O-N 2.89Å; Q277-G281 PolarHBondContact O-N 2.91Å |
| 278 | H | 82.3 | Confident | 79 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.3 | -45.5 | 169.7 | -84.9 | -152.6 | 0 | 0 | 0 | 111.8 | Q274 A275 I276 G281 T282 | Q274-H278 WeakPolarHBondContact O-CB 3.29Å; Q274-H278 PolarHBondContact O-CD2 3.46Å; Q274-H278 PolarHBondContact O-N 3.27Å; A275-H278 PolarHBondContact O-N 3.43Å; I276-H278 VanDerWaalsContact C-N 3.29Å; I276-H278 PolarHBondContact O-N 2.96Å; H278-G281 PolarHBondContact O-N 2.78Å; H278-T282 WeakPolarHBondContact O-CB 3.48Å; H278-T282 PolarHBondContact O-N 3.2Å; H278-T282 PolarHBondContact O-OG1 2.93Å |
| 279 | I | 81.6 | Confident | 78.5 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 55% | 0.549 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 179.9 | -69.5 | 163.8 | 0 | 0 | 0 | 110.5 | A275 I276 T282 Q283 | A275-I279 WeakPolarHBondContact O-CD1 3.44Å; A275-I279 VanDerWaalsContact O-CG1 3.23Å; A275-I279 WeakPolarHBondContact O-CG1 3.29Å; A275-I279 PolarHBondContact O-N 2.85Å; I276-I279 PolarHBondContact O-N 3.44Å; I279-T282 PolarHBondContact O-N 3.27Å; I279-Q283 VanDerWaalsContact O-CB 3.3Å; I279-Q283 WeakPolarHBondContact O-CB 3.33Å; I279-Q283 PolarHBondContact O-N 3.37Å |
| 280 | E | 79.3 | Confident | 77.5 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 178 | -69.6 | 175.7 | 170 | 0 | 0 | 111.2 | I276 T282 Q283 E284 | I276-E280 HydrophobicContact CG2-CG 4.15Å; I276-E280 WeakPolarHBondContact CG2-OE1 3.46Å; I276-E280 WeakPolarHBondContact O-CB 3.31Å; I276-E280 WeakPolarHBondContact O-CG 3.34Å; I276-E280 PolarHBondContact O-N 3.04Å; E280-T282 VanDerWaalsContact C-N 3.3Å; E280-T282 PolarHBondContact O-N 3.33Å; E280-Q283 PolarHBondContact O-N 3.05Å; E280-E284 WeakPolarHBondContact O-CG 3.35Å; E280-E284 PolarHBondContact O-N 3.48Å |
| 281 | G | 72.2 | Confident | 76.6 | Confident | 39 Ų | 39 | 103.3 Ų | 103.3 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -28.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q277 H278 K285 | Q277-G281 PolarHBondContact O-N 2.91Å; H278-G281 PolarHBondContact O-N 2.78Å; G281-K285 WeakPolarHBondContact O-CB 3.49Å; G281-K285 PolarHBondContact O-N 3.16Å |
| 282 | T | 65.4 | Low | 75.4 | Confident | 86 Ų | 86 | 106 Ų | 106 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -77.3 | -36.4 | 173.8 | -42.5 | 0 | 0 | 0 | 0 | 110.8 | H278 I279 E280 K285 Q286 | H278-T282 WeakPolarHBondContact O-CB 3.48Å; H278-T282 PolarHBondContact O-N 3.2Å; H278-T282 PolarHBondContact O-OG1 2.93Å; I279-T282 PolarHBondContact O-N 3.27Å; E280-T282 VanDerWaalsContact C-N 3.3Å; E280-T282 PolarHBondContact O-N 3.33Å; T282-K285 PolarHBondContact O-N 3.49Å; T282-Q286 VanDerWaalsContact O-CB 3.27Å; T282-Q286 WeakPolarHBondContact O-CB 3.27Å; T282-Q286 PolarHBondContact O-N 2.8Å |
| 283 | Q | 64.7 | Low | 74.4 | Confident | 101 Ų | 101 | 110 Ų | 110 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 177.8 | -172 | 174 | -7.6 | 0 | 0 | 111.6 | I279 E280 K285 Q286 E287 | I279-Q283 VanDerWaalsContact O-CB 3.3Å; I279-Q283 WeakPolarHBondContact O-CB 3.33Å; I279-Q283 PolarHBondContact O-N 3.37Å; E280-Q283 PolarHBondContact O-N 3.05Å; Q283-K285 VanDerWaalsContact C-N 3.3Å; Q283-K285 PolarHBondContact O-N 3.23Å; Q283-Q286 CarbonylContact O-C 3.59Å; Q283-Q286 PolarHBondContact O-N 3.45Å; Q283-Q286 VanDerWaalsContact O-N 3.16Å; Q283-E287 HydrophobicContact CG-CG 4.49Å; Q283-E287 PolarHBondContact NE2-OE1 3.28Å; Q283-E287 WeakPolarHBondContact O-CB 3.38Å; Q283-E287 WeakPolarHBondContact O-CG 3.42Å; Q283-E287 PolarHBondContact O-N 3.32Å |
| 284 | E | 64.5 | Low | 73.1 | Confident | 130 Ų | 130 | 113.8 Ų | 113.8 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.5 | -39.6 | 174.9 | -73.4 | -177.6 | 171 | 0 | 0 | 112.1 | E280 Q286 E287 L288 | E280-E284 WeakPolarHBondContact O-CG 3.35Å; E280-E284 PolarHBondContact O-N 3.48Å; E284-Q286 VanDerWaalsContact C-N 3.35Å; E284-E287 PolarHBondContact O-N 3.49Å; E284-L288 WeakPolarHBondContact O-CB 3.34Å; E284-L288 PolarHBondContact O-N 2.99Å |
| 285 | K | 66.4 | Low | 71.7 | Confident | 140 Ų | 140 | 111.1 Ų | 111.1 | 61% | 0.609 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.8 | -36.2 | 177 | -164.9 | 176.4 | -179.3 | -177.3 | 0 | 111.9 | G281 T282 Q283 E289 | G281-K285 WeakPolarHBondContact O-CB 3.49Å; G281-K285 PolarHBondContact O-N 3.16Å; T282-K285 PolarHBondContact O-N 3.49Å; Q283-K285 VanDerWaalsContact C-N 3.3Å; Q283-K285 PolarHBondContact O-N 3.23Å; K285-E289 PolarHBondContact O-N 3.04Å |
| 286 | Q | 65.2 | Low | 70.2 | Confident | 128 Ų | 128 | 114.5 Ų | 114.5 | 60% | 0.598 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.5 | -36.3 | 177.2 | -163 | 169.2 | -0.6 | 0 | 0 | 111.8 | T282 Q283 E284 E289 E290 | T282-Q286 VanDerWaalsContact O-CB 3.27Å; T282-Q286 WeakPolarHBondContact O-CB 3.27Å; T282-Q286 PolarHBondContact O-N 2.8Å; Q283-Q286 CarbonylContact O-C 3.59Å; Q283-Q286 PolarHBondContact O-N 3.45Å; Q283-Q286 VanDerWaalsContact O-N 3.16Å; E284-Q286 VanDerWaalsContact C-N 3.35Å; Q286-E289 PolarHBondContact O-N 3.43Å; Q286-E290 WeakPolarHBondContact O-CB 3.42Å; Q286-E290 PolarHBondContact O-N 2.95Å |
| 287 | E | 69.6 | Low | 68.7 | Low | 106 Ų | 106 | 117.4 Ų | 117.4 | 50% | 0.495 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.7 | -41.9 | 172.6 | -76.6 | 177.3 | -173.3 | 0 | 0 | 111.5 | Q283 E284 E290 E291 | Q283-E287 HydrophobicContact CG-CG 4.49Å; Q283-E287 PolarHBondContact NE2-OE1 3.28Å; Q283-E287 WeakPolarHBondContact O-CB 3.38Å; Q283-E287 WeakPolarHBondContact O-CG 3.42Å; Q283-E287 PolarHBondContact O-N 3.32Å; E284-E287 PolarHBondContact O-N 3.49Å; E287-E290 PolarHBondContact O-N 2.84Å; E287-E291 VanDerWaalsContact O-CB 3.25Å; E287-E291 WeakPolarHBondContact O-CB 3.47Å; E287-E291 PolarHBondContact O-N 2.89Å |
| 288 | L | 68.9 | Low | 67 | Low | 109 Ų | 109 | 116.6 Ų | 116.6 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.1 | -39.2 | 173.1 | -84.5 | 162.2 | 0 | 0 | 0 | 112.8 | E284 Q292 | E284-L288 WeakPolarHBondContact O-CB 3.34Å; E284-L288 PolarHBondContact O-N 2.99Å; L288-Q292 WeakPolarHBondContact O-CB 3.45Å; L288-Q292 PolarHBondContact O-N 3.43Å |
| 289 | E | 70.8 | Confident | 64.9 | Low | 100 Ų | 100 | 119.2 Ų | 119.2 | 47% | 0.467 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.1 | -37.1 | 173.9 | -81.4 | -174.4 | -174.5 | 0 | 0 | 112.1 | K285 Q286 R293 | K285-E289 PolarHBondContact O-N 3.04Å; Q286-E289 PolarHBondContact O-N 3.43Å; E289-R293 WeakPolarHBondContact O-CB 3.19Å; E289-R293 WeakPolarHBondContact O-CG 3.25Å; E289-R293 PolarHBondContact O-N 2.91Å |
| 290 | E | 69.3 | Low | 63.3 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 45% | 0.449 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.9 | -38.3 | 175.1 | -161.3 | -177.9 | 151.7 | 0 | 0 | 111.6 | Q286 E287 R293 R294 | Q286-E290 WeakPolarHBondContact O-CB 3.42Å; Q286-E290 PolarHBondContact O-N 2.95Å; E287-E290 PolarHBondContact O-N 2.84Å; E290-R293 WeakPolarHBondContact O-CB 3.43Å; E290-R293 PolarHBondContact O-N 2.77Å; E290-R294 WeakPolarHBondContact O-CG 3.35Å; E290-R294 PolarHBondContact O-N 3.29Å; E290-R294 IonicContact OE1-CZ 3.62Å; E290-R294 IonicContact OE1-NE 3.44Å; E290-R294 PolarHBondContact OE1-NE 2.91Å; E290-R294 IonicContact OE1-NH2 2.91Å; E290-R294 PolarHBondContact OE1-NH2 3.44Å |
| 291 | E | 70.1 | Confident | 61.2 | Low | 135 Ų | 135 | 121.6 Ų | 121.6 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.9 | -39.2 | 175.4 | -172.5 | 155.1 | -137.8 | 0 | 0 | 111.8 | E287 R293 R294 A295 | E287-E291 VanDerWaalsContact O-CB 3.25Å; E287-E291 WeakPolarHBondContact O-CB 3.47Å; E287-E291 PolarHBondContact O-N 2.89Å; E291-R293 VanDerWaalsContact C-N 3.33Å; E291-R293 PolarHBondContact O-N 3.24Å; E291-R294 PolarHBondContact O-N 3.21Å; E291-A295 WeakPolarHBondContact O-CB 3.4Å; E291-A295 PolarHBondContact O-N 3.36Å |
| 292 | Q | 65.3 | Low | 59.6 | Low | 137 Ų | 137 | 130.9 Ų | 130.9 | 64% | 0.64 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.3 | -40.8 | 168.7 | -87.5 | -175.1 | 24.5 | 0 | 0 | 112 | L288 R294 A295 V296 | L288-Q292 WeakPolarHBondContact O-CB 3.45Å; L288-Q292 PolarHBondContact O-N 3.43Å; Q292-R294 VanDerWaalsContact C-N 3.29Å; Q292-R294 PolarHBondContact O-N 3.37Å; Q292-A295 PolarHBondContact O-N 2.84Å; Q292-V296 VanDerWaalsContact O-CG2 3.31Å; Q292-V296 WeakPolarHBondContact O-CG2 3.31Å; Q292-V296 PolarHBondContact O-N 3.19Å |
| 293 | R | 66.8 | Low | 58 | Low | 179 Ų | 179 | 132.4 Ų | 132.4 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.7 | -33 | 175.3 | -73.6 | 169.5 | -175.8 | -122.7 | 4.6 | 112.2 | E289 E290 E291 | E289-R293 WeakPolarHBondContact O-CB 3.19Å; E289-R293 WeakPolarHBondContact O-CG 3.25Å; E289-R293 PolarHBondContact O-N 2.91Å; E290-R293 WeakPolarHBondContact O-CB 3.43Å; E290-R293 PolarHBondContact O-N 2.77Å; E291-R293 VanDerWaalsContact C-N 3.33Å; E291-R293 PolarHBondContact O-N 3.24Å |
| 294 | R | 65.8 | Low | 56.3 | Low | 163 Ų | 163 | 133 Ų | 133 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.1 | -37.7 | 174.6 | -72.4 | 177.3 | -175.9 | -128.9 | 4.7 | 112.8 | E290 E291 Q292 V296 I297 | E290-R294 WeakPolarHBondContact O-CG 3.35Å; E290-R294 PolarHBondContact O-N 3.29Å; E290-R294 IonicContact OE1-CZ 3.62Å; E290-R294 IonicContact OE1-NE 3.44Å; E290-R294 PolarHBondContact OE1-NE 2.91Å; E290-R294 IonicContact OE1-NH2 2.91Å; E290-R294 PolarHBondContact OE1-NH2 3.44Å; E291-R294 PolarHBondContact O-N 3.21Å; Q292-R294 VanDerWaalsContact C-N 3.29Å; Q292-R294 PolarHBondContact O-N 3.37Å; R294-V296 VanDerWaalsContact C-N 3.32Å; R294-V296 PolarHBondContact O-N 3.44Å; R294-I297 PolarHBondContact O-N 3.46Å |
| 295 | A | 58.8 | Low | 55.8 | Low | 70 Ų | 70 | 132.1 Ų | 132.1 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67.8 | -28.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E291 Q292 I297 | E291-A295 WeakPolarHBondContact O-CB 3.4Å; E291-A295 PolarHBondContact O-N 3.36Å; Q292-A295 PolarHBondContact O-N 2.84Å; A295-I297 VanDerWaalsContact C-N 3.3Å; A295-I297 PolarHBondContact O-N 3.43Å |
| 296 | V | 55.7 | Low | 54.3 | Low | 119 Ų | 119 | 134.5 Ų | 134.5 | 72% | 0.721 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -21.9 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 113 | Q292 R294 | Q292-V296 VanDerWaalsContact O-CG2 3.31Å; Q292-V296 WeakPolarHBondContact O-CG2 3.31Å; Q292-V296 PolarHBondContact O-N 3.19Å; R294-V296 VanDerWaalsContact C-N 3.32Å; R294-V296 PolarHBondContact O-N 3.44Å |
| 297 | I | 53.9 | Low | 53.1 | Low | 141 Ų | 141 | 132.4 Ų | 132.4 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -14 | -175.3 | -62.8 | 171.7 | 0 | 0 | 0 | 112.5 | R294 A295 K299 | R294-I297 PolarHBondContact O-N 3.46Å; A295-I297 VanDerWaalsContact C-N 3.3Å; A295-I297 PolarHBondContact O-N 3.43Å; I297-K299 PolarHBondContact O-N 3.35Å |
| 298 | V | 49.9 | Very low | 52.3 | Low | 115 Ų | 115 | 132.3 Ų | 132.3 | 70% | 0.697 | 70% | 0.702 | S | S | * | * | trans | -98.5 | 78.2 | -179 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 299 | K | 39.3 | Very low | 51 | Low | 192 Ų | 192 | 132.9 Ų | 132.9 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | trans | -109.4 | 113.7 | 155.1 | -76.2 | -170.2 | 176.5 | -179.2 | 0 | 108.6 | I297 | I297-K299 PolarHBondContact O-N 3.35Š| ||
| 300 | P | 47.3 | Very low | 49.7 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | -85.7 | 125.2 | -179.7 | 32.1 | -28.6 | 0 | 0 | 0 | 110.3 | ||||
| 301 | V | 34.4 | Very low | 48.5 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | trans | -104.3 | 128.9 | 161.3 | 172 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 302 | R | 38.8 | Very low | 47.6 | Very low | 233 Ų | 233 | 137.8 Ų | 137.8 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -117.5 | 127.9 | -171.3 | -165.7 | -173.7 | -164.7 | -174.7 | 5.4 | 108.7 | ||||
| 303 | S | 32.3 | Very low | 46.4 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -174.5 | 125.3 | 148.5 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 304 | C | 30 | Very low | 45.6 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 78% | 0.777 | 77% | 0.772 | S | S | * | * | trans | -77.8 | -159.9 | 178.7 | -48.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 305 | P | 54.2 | Low | 44.3 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | cis | -140.9 | 176.5 | -17.7 | 22.7 | 3.7 | 0 | 0 | 0 | 117.9 | ||||
| 306 | E | 34 | Very low | 43.7 | Very low | 191 Ų | 191 | 131.7 Ų | 131.7 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 61.4 | 148.2 | 146.2 | -78.5 | -172 | 166.5 | 0 | 0 | 122.8 | ||||
| 307 | A | 40.7 | Very low | 43.2 | Very low | 83 Ų | 83 | 134.4 Ų | 134.4 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | cis | -173.4 | -162.5 | -8.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 308 | P | 52.3 | Low | 42.8 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | cis | -137.7 | 169.5 | -23.4 | 27.6 | -3 | 0 | 0 | 0 | 116.9 | ||||
| 309 | T | 41.2 | Very low | 42.5 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 58.6 | 128.4 | 142.1 | 62.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 310 | S | 43.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 130 Ų | 130 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | -161.9 | 124.9 | 121 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 311 | D | 43.7 | Very low | 42.4 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 149.8 | 172 | -68.1 | -58.6 | 0 | 0 | 0 | 113.1 | ||||
| 312 | T | 52.2 | Low | 42.7 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 95% | 0.951 | 78% | 0.782 | S | S | * | * | trans | -160.7 | 141.3 | 133.6 | -4.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 313 | A | 40.9 | Very low | 43 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -105.1 | 168.9 | -154.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 314 | S | 48.6 | Very low | 43.5 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | 38.1 | 146.3 | 145.7 | -85 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 315 | D | 39.3 | Very low | 44.1 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | cis | -172.7 | 134.2 | 34.4 | -132.6 | 10.7 | 0 | 0 | 0 | 105.4 | ||||
| 316 | S | 45.7 | Very low | 43.5 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 58% | 0.58 | 77% | 0.769 | S | S | * | * | 84.7 | 129.2 | 80.5 | -53.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 317 | E | 46.1 | Very low | 44 | Very low | 175 Ų | 175 | 123.7 Ų | 123.7 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 59.9 | 125.5 | 157.9 | -39.6 | -47.2 | 106.1 | 0 | 0 | 122.5 | ||||
| 318 | A | 44.4 | Very low | 44.2 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | 173.4 | 125.7 | 102.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 319 | S | 44.7 | Very low | 43.9 | Very low | 112 Ų | 112 | 133.6 Ų | 133.6 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -47.3 | 159.7 | 152.3 | -50.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 320 | D | 40.6 | Very low | 44 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | 173.1 | 156.7 | 58.5 | -160.6 | -0.8 | 0 | 0 | 0 | 108.6 | |||||
| 321 | S | 42.9 | Very low | 44.7 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | 62.4 | 163.2 | 149.1 | 69.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 322 | D | 42 | Very low | 44.8 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | cis | -175.4 | 171 | -38.2 | -154.4 | -17.1 | 0 | 0 | 0 | 103.5 | ||||
| 323 | A | 43.2 | Very low | 44.3 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | trans | 84.7 | 105.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 324 | M | 44.4 | Very low | 44.5 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | 68.8 | 122.4 | 111.3 | -71.3 | -66 | -178 | 0 | 0 | 122.7 | |||||
| 325 | D | 41 | Very low | 44.4 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | 90.7 | 143 | 117 | -159.8 | 30.1 | 0 | 0 | 0 | 121.4 | |||||
| 326 | Q | 42.6 | Very low | 45.3 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | trans | 96.4 | 103.3 | 157.2 | -47.9 | -164 | 21.4 | 0 | 0 | 121.6 | ||||
| 327 | S | 43.5 | Very low | 45.1 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | 56.9 | 120 | 112.2 | -49.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 328 | R | 46.5 | Very low | 46.1 | Very low | 225 Ų | 225 | 134.4 Ų | 134.4 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | trans | -166.9 | 104.5 | 141.7 | -117.8 | 179.5 | 161.1 | -165 | -4.4 | 110.3 | ||||
| 329 | E | 44.5 | Very low | 46.2 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | 73.2 | 108.3 | 100.6 | -74.4 | -162.9 | 142.8 | 0 | 0 | 115.4 | |||||
| 330 | E | 43.9 | Very low | 46.3 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -60.5 | 159.3 | 152.8 | -77.3 | -83.6 | 141.5 | 0 | 0 | 111.3 | ||||
| 331 | P | 58.7 | Low | 46.6 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | -146.1 | 144.6 | 100.7 | 32.9 | -15 | 0 | 0 | 0 | 116 | |||||
| 332 | S | 44.3 | Very low | 46.8 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | 50.9 | 130 | 127.2 | -41.5 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 333 | G | 43.5 | Very low | 47.1 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | cis | 157 | 173 | 12 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 334 | D | 44.2 | Very low | 47.4 | Very low | 178 Ų | 178 | 142 Ų | 142 | 95% | 0.952 | 82% | 0.821 | S | S | * | * | trans | 88.6 | 140.2 | 150.1 | -134.6 | -0.4 | 0 | 0 | 0 | 120.8 | ||||
| 335 | G | 46.8 | Very low | 47.6 | Very low | 72 Ų | 72 | 139.4 Ų | 139.4 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 139.9 | 58.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 336 | A | 58.4 | Low | 48.1 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -69 | 151.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 337 | L | 40.3 | Very low | 48.5 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | trans | -55.9 | 168.4 | 170.6 | -63.3 | 164.7 | 0 | 0 | 0 | 112.8 | ||||
| 338 | P | 67.9 | Low | 49 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 100% | 1.273 | 85% | 0.845 | S | S | * | * | -115.6 | 0 | 77.3 | -5.2 | 25.5 | 0 | 0 | 0 | 115.4 |
Retrieved 338 of 338 residues in 52.3 ms
(Link to these results)