| 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 | 50 | Low | 52.8 | Low | 236 Ų | 236 | 114.1 Ų | 114.1 | 100% | 1.163 | 67% | 0.672 | S | S | * | * | 0 | -3.9 | 0 | -64.5 | -122.6 | -88.8 | 0 | 0 | 114.3 | |||||
| 2 | A | 48.9 | Very low | 52.9 | Low | 85 Ų | 85 | 114.3 Ų | 114.3 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | trans | -86.7 | -14 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | A | 52.3 | Low | 52.7 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 75% | 0.752 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -16.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 4 | V | 51.1 | Low | 52.3 | Low | 112 Ų | 112 | 117.6 Ų | 117.6 | 68% | 0.679 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -13.8 | -178.3 | -173.9 | 0 | 0 | 0 | 0 | 112 | P7 | V4-P7 WeakPolarHBondContact O-CD 3.29Å; V4-P7 WeakPolarHBondContact O-CG 3.3Å |
| 5 | A | 53.8 | Low | 51.9 | Low | 60 Ų | 60 | 114.5 Ų | 114.5 | 50% | 0.496 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -77.2 | -32.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L8 L9 | A5-L8 PolarHBondContact O-N 3.46Å; A5-L9 WeakPolarHBondContact O-CB 3.34Å; A5-L9 PolarHBondContact O-N 3.46Å |
| 6 | L | 52.5 | Low | 51.1 | Low | 136 Ų | 136 | 113.6 Ų | 113.6 | 71% | 0.712 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61.7 | -47.9 | 179.9 | -120.2 | 94.7 | 0 | 0 | 0 | 114.3 | L8 L9 L10 | L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.01Å; L6-L9 PolarHBondContact O-N 3.05Å; L6-L10 PolarHBondContact O-N 3.05Å; L6-L10 VanDerWaalsContact O-N 3.12Å |
| 7 | P | 56.4 | Low | 50.5 | Low | 68 Ų | 68 | 114.1 Ų | 114.1 | 44% | 0.442 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -69 | -32.8 | 179.4 | 25.6 | -33.5 | 0 | 0 | 0 | 111.9 | V4 L10 L11 | V4-P7 WeakPolarHBondContact O-CD 3.29Å; V4-P7 WeakPolarHBondContact O-CG 3.3Å; P7-L10 PolarHBondContact O-N 2.91Å; P7-L11 WeakPolarHBondContact O-CD1 3.34Å; P7-L11 PolarHBondContact O-N 3.19Å |
| 8 | L | 54.2 | Low | 50 | Low | 113 Ų | 113 | 113.2 Ų | 113.2 | 59% | 0.592 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -68.8 | -37.6 | 177.6 | -150.7 | 88.7 | 0 | 0 | 0 | 111.9 | A5 L6 L10 L11 L12 | A5-L8 PolarHBondContact O-N 3.46Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.01Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 3.36Å; L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 2.94Å |
| 9 | L | 54.6 | Low | 49.6 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 60% | 0.597 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -67.5 | -36 | 175.2 | -155.3 | 78.8 | 0 | 0 | 0 | 111.5 | A5 L6 L12 L13 | A5-L9 WeakPolarHBondContact O-CB 3.34Å; A5-L9 PolarHBondContact O-N 3.46Å; L6-L9 PolarHBondContact O-N 3.05Å; L9-L12 PolarHBondContact O-N 3.08Å; L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 PolarHBondContact O-N 2.87Å; L9-L13 VanDerWaalsContact O-N 3.15Å |
| 10 | L | 53.2 | Low | 49.1 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 61% | 0.613 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -66.7 | -40.8 | 174.9 | -139 | 83.1 | 0 | 0 | 0 | 111.7 | L6 P7 L8 L12 L13 L14 | L6-L10 PolarHBondContact O-N 3.05Å; L6-L10 VanDerWaalsContact O-N 3.12Å; P7-L10 PolarHBondContact O-N 2.91Å; L8-L10 VanDerWaalsContact C-N 3.34Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.11Å; L10-L13 PolarHBondContact O-N 3.15Å; L10-L14 WeakPolarHBondContact O-CD1 3.13Å; L10-L14 PolarHBondContact O-N 3.38Å |
| 11 | L | 54.4 | Low | 48.7 | Very low | 123 Ų | 123 | 110.8 Ų | 110.8 | 64% | 0.644 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66 | -32.2 | 174.9 | -96.2 | 123.6 | 0 | 0 | 0 | 113.1 | P7 L8 L14 | P7-L11 WeakPolarHBondContact O-CD1 3.34Å; P7-L11 PolarHBondContact O-N 3.19Å; L8-L11 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 3.12Å |
| 12 | L | 53.1 | Low | 48.6 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 61% | 0.613 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.8 | -30.2 | 175.5 | -80.2 | 157.7 | 0 | 0 | 0 | 113 | L8 L9 L10 L14 A15 | L8-L12 WeakPolarHBondContact O-CD1 3.47Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 3.08Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.11Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-A15 PolarHBondContact O-N 2.95Å |
| 13 | L | 50.7 | Low | 48.2 | Very low | 130 Ų | 130 | 106.1 Ų | 106.1 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -71.7 | -24.9 | 174 | -82.1 | 152.9 | 0 | 0 | 0 | 113 | L9 L10 A15 | L9-L13 WeakPolarHBondContact O-CD1 3.45Å; L9-L13 PolarHBondContact O-N 2.87Å; L9-L13 VanDerWaalsContact O-N 3.15Å; L10-L13 PolarHBondContact O-N 3.15Å; L13-A15 VanDerWaalsContact C-N 3.35Å |
| 14 | L | 46.7 | Very low | 48.1 | Very low | 145 Ų | 145 | 111.9 Ų | 111.9 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -10.1 | 175.8 | -82.1 | 147.6 | 0 | 0 | 0 | 113.7 | L10 L11 L12 | L10-L14 WeakPolarHBondContact O-CD1 3.13Å; L10-L14 PolarHBondContact O-N 3.38Å; L11-L14 PolarHBondContact O-N 3.12Å; L12-L14 VanDerWaalsContact C-N 3.32Å |
| 15 | A | 46.2 | Very low | 48.2 | Very low | 70 Ų | 70 | 109.4 Ų | 109.4 | 58% | 0.579 | 66% | 0.664 | S | S | * | * | trans | -103.8 | 36.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L12 L13 | L12-A15 PolarHBondContact O-N 2.95Å; L13-A15 VanDerWaalsContact C-N 3.35Å | ||
| 16 | S | 39.7 | Very low | 48.4 | Very low | 100 Ų | 100 | 111.6 Ų | 111.6 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | -74.6 | 124.9 | 167 | -77.6 | 0 | 0 | 0 | 0 | 109.9 | A18 | S16-A18 PolarHBondContact O-N 2.7Š| ||
| 17 | P | 40.9 | Very low | 48.4 | Very low | 122 Ų | 122 | 111.4 Ų | 111.4 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | trans | -64.2 | 121.6 | 175.8 | 25.4 | -31 | 0 | 0 | 0 | 109 | A19 | P17-A19 PolarHBondContact O-N 3.41Š| ||
| 18 | A | 41.2 | Very low | 48.3 | Very low | 99 Ų | 99 | 110.6 Ų | 110.6 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -52.8 | 114 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S16 | S16-A18 PolarHBondContact O-N 2.7Š| ||
| 19 | A | 41.9 | Very low | 48.5 | Very low | 86 Ų | 86 | 110.7 Ų | 110.7 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 139 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P17 A21 | P17-A19 PolarHBondContact O-N 3.41Å; A19-A21 PolarHBondContact O-N 2.96Å |
| 20 | P | 40.1 | Very low | 48.6 | Very low | 128 Ų | 128 | 112.6 Ų | 112.6 | 83% | 0.831 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 116.3 | -178.8 | 24.3 | -31.9 | 0 | 0 | 0 | 109.3 | ||
| 21 | A | 41.3 | Very low | 49 | Very low | 74 Ų | 74 | 108.7 Ų | 108.7 | 61% | 0.612 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 135.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | A19 A23 | A19-A21 PolarHBondContact O-N 2.96Å; A21-A23 PolarHBondContact O-N 3.45Å |
| 22 | P | 46.6 | Very low | 49.5 | Very low | 117 Ų | 117 | 105.2 Ų | 105.2 | 76% | 0.76 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 137.6 | 172.7 | 26.1 | -33.3 | 0 | 0 | 0 | 108.4 | R24 | P22-R24 PolarHBondContact O-N 3.22Š|
| 23 | A | 41.3 | Very low | 50.4 | Low | 107 Ų | 107 | 105.5 Ų | 105.5 | 88% | 0.884 | 66% | 0.655 | S | S | * | * | trans | -35 | 99.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A21 D25 | A21-A23 PolarHBondContact O-N 3.45Å; A23-D25 PolarHBondContact O-N 3.01Å | ||
| 24 | R | 50.5 | Low | 51.7 | Low | 211 Ų | 211 | 100.1 Ų | 100.1 | 80% | 0.796 | 63% | 0.627 | S | S | * | * | trans | -71.7 | 120.9 | 173.8 | -92.8 | -177.7 | 169.4 | 162.2 | -2.9 | 107 | P22 | P22-R24 PolarHBondContact O-N 3.22Š| ||
| 25 | D | 53.8 | Low | 53.4 | Low | 60 Ų | 60 | 98.5 Ų | 98.5 | 32% | 0.321 | 62% | 0.616 | S | S | . | * | trans | -60.7 | 125.3 | 174.9 | -161.1 | -34.9 | 0 | 0 | 0 | 109.3 | A23 F27 A28 R77 | A23-D25 PolarHBondContact O-N 3.01Å; D25-F27 PolarHBondContact O-N 3.1Å; D25-F27 WeakPolarHBondContact OD1-CD2 3.4Å; D25-A28 VanDerWaalsContact O-CB 3.24Å; D25-A28 WeakPolarHBondContact O-CB 3.47Å; D25-A28 PolarHBondContact O-N 2.66Å; D25-R77 IonicContact OD2-CZ 2.66Å; D25-R77 IonicContact OD2-NH1 2.71Å; D25-R77 PolarHBondContact OD2-NH1 3.43Å | ||
| 26 | P | 57.8 | Low | 55.3 | Low | 106 Ų | 106 | 104 Ų | 104 | 69% | 0.688 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -16.4 | -176.4 | 19.8 | -31.9 | 0 | 0 | 0 | 114.2 | P29 | P26-P29 WeakPolarHBondContact O-CD 3.28Š|
| 27 | F | 51.8 | Low | 57.5 | Low | 133 Ų | 133 | 99.2 Ų | 99.2 | 58% | 0.583 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -7.8 | 177.1 | -59.7 | -77 | 0 | 0 | 0 | 114.1 | D25 P29 Q30 L31 | D25-F27 PolarHBondContact O-N 3.1Å; D25-F27 WeakPolarHBondContact OD1-CD2 3.4Å; F27-P29 VanDerWaalsContact C-N 3.31Å; F27-Q30 PolarHBondContact O-N 3.37Å; F27-L31 HydrophobicContact CB-CD1 3.73Å; F27-L31 WeakPolarHBondContact O-CD1 3.25Å; F27-L31 PolarHBondContact O-N 3.24Å |
| 28 | A | 55 | Low | 59.7 | Low | 51 Ų | 51 | 95.1 Ų | 95.1 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.4 | -34.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D25 Q30 | D25-A28 VanDerWaalsContact O-CB 3.24Å; D25-A28 WeakPolarHBondContact O-CB 3.47Å; D25-A28 PolarHBondContact O-N 2.66Å; A28-Q30 VanDerWaalsContact C-N 3.31Å; A28-Q30 PolarHBondContact O-N 2.95Å |
| 29 | P | 57.4 | Low | 61.9 | Low | 114 Ų | 114 | 95.5 Ų | 95.5 | 74% | 0.74 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25.4 | 176.3 | -13.6 | 28.2 | 0 | 0 | 0 | 113.4 | P26 F27 | P26-P29 WeakPolarHBondContact O-CD 3.28Å; F27-P29 VanDerWaalsContact C-N 3.31Å |
| 30 | Q | 57.4 | Low | 64 | Low | 154 Ų | 154 | 96.1 Ų | 96.1 | 72% | 0.72 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -21 | -173.7 | -64.8 | -100.5 | -17.4 | 0 | 0 | 112.5 | F27 A28 G32 | F27-Q30 PolarHBondContact O-N 3.37Å; A28-Q30 VanDerWaalsContact C-N 3.31Å; A28-Q30 PolarHBondContact O-N 2.95Å; Q30-G32 PolarHBondContact O-N 2.91Å |
| 31 | L | 61.5 | Low | 66.4 | Low | 36 Ų | 36 | 90.2 Ų | 90.2 | 19% | 0.188 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -90.3 | 11.2 | -171.3 | -91.5 | 78.9 | 0 | 0 | 0 | 115.4 | F27 R77 S80 I81 | F27-L31 HydrophobicContact CB-CD1 3.73Å; F27-L31 WeakPolarHBondContact O-CD1 3.25Å; F27-L31 PolarHBondContact O-N 3.24Å; L31-R77 HydrophobicContact CD2-CB 3.92Å; L31-R77 HydrophobicContact CD2-CG 4.29Å; L31-S80 WeakPolarHBondContact O-CB 3.29Å; L31-S80 PolarHBondContact O-OG 2.92Å; L31-I81 HydrophobicContact CD1-CG1 4.46Å; L31-I81 HydrophobicContact CD2-CD1 3.9Å; L31-I81 HydrophobicContact CD2-CG1 3.65Å; L31-I81 HydrophobicContact CG-CG1 3.96Å |
| 32 | G | 64.9 | Low | 68.6 | Low | 49 Ų | 49 | 93.6 Ų | 93.6 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | trans | 67.1 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q30 T34 | Q30-G32 PolarHBondContact O-N 2.91Å; G32-T34 PolarHBondContact O-N 2.9Å | ||
| 33 | N | 71.5 | Confident | 70.3 | Confident | 123 Ų | 123 | 94.6 Ų | 94.6 | 66% | 0.658 | 48% | 0.481 | S | S | * | . | trans | -77.3 | 93.7 | -173.3 | -166.4 | -4.6 | 0 | 0 | 0 | 111.8 | Q35 | N33-Q35 VanDerWaalsContact C-N 3.3Å; N33-Q35 VanDerWaalsContact OD1-CB 3.24Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.43Å; N33-Q35 VanDerWaalsContact OD1-CG 3.32Å; N33-Q35 WeakPolarHBondContact OD1-CG 3.45Å; N33-Q35 PolarHBondContact OD1-N 3.47Å; N33-Q35 VanDerWaalsContact OD1-N 3.14Å | ||
| 34 | T | 78.2 | Confident | 72 | Confident | 17 Ų | 17 | 98.6 Ų | 98.6 | 10% | 0.104 | 47% | 0.473 | C | S | . | . | trans | -85 | 2.6 | 174.8 | 61.4 | 0 | 0 | 0 | 0 | 113.5 | G32 R36 C37 Q38 S80 | G32-T34 PolarHBondContact O-N 2.9Å; T34-R36 PolarHBondContact O-N 3.17Å; T34-C37 PolarHBondContact O-N 3.17Å; T34-Q38 WeakPolarHBondContact O-CG 3.42Å; T34-Q38 PolarHBondContact O-N 2.89Å; T34-Q38 PolarHBondContact OG1-NE2 3.34Å; T34-S80 WeakPolarHBondContact CG2-OG 3.27Å | ||
| 35 | Q | 82.3 | Confident | 72.8 | Confident | 112 Ų | 112 | 90.5 Ų | 90.5 | 52% | 0.523 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | -172.4 | -68.3 | -164.6 | -21.2 | 0 | 0 | 113 | N33 C37 Q38 Q39 | N33-Q35 VanDerWaalsContact C-N 3.3Å; N33-Q35 VanDerWaalsContact OD1-CB 3.24Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.43Å; N33-Q35 VanDerWaalsContact OD1-CG 3.32Å; N33-Q35 WeakPolarHBondContact OD1-CG 3.45Å; N33-Q35 PolarHBondContact OD1-N 3.47Å; N33-Q35 VanDerWaalsContact OD1-N 3.14Å; Q35-C37 VanDerWaalsContact C-N 3.29Å; Q35-C37 PolarHBondContact O-N 3.27Å; Q35-Q38 PolarHBondContact O-N 3.4Å; Q35-Q39 WeakPolarHBondContact O-CB 3.32Å; Q35-Q39 WeakPolarHBondContact O-CG 3.41Å; Q35-Q39 PolarHBondContact O-N 3.01Å |
| 36 | R | 85.3 | Confident | 73 | Confident | 184 Ų | 184 | 92 Ų | 92 | 69% | 0.694 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | 177.5 | -168.1 | 176.5 | -175.9 | -177 | 0.5 | 111.1 | T34 R40 | T34-R36 PolarHBondContact O-N 3.17Å; R36-R40 PolarHBondContact O-N 3.06Å; R36-R40 VanDerWaalsContact O-N 3.15Å |
| 37 | C | 87.4 | Confident | 73 | Confident | 1 Ų | 1 | 89.4 Ų | 89.4 | 1% | 0.007 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.5 | -45.7 | 177 | -171.2 | 0 | 0 | 0 | 0 | 112.8 | T34 Q35 Q39 R40 C41 C76 G118 Q122 | T34-C37 PolarHBondContact O-N 3.17Å; Q35-C37 VanDerWaalsContact C-N 3.29Å; Q35-C37 PolarHBondContact O-N 3.27Å; C37-Q39 VanDerWaalsContact C-N 3.33Å; C37-Q39 PolarHBondContact O-N 3.4Å; C37-R40 PolarHBondContact O-N 3.11Å; C37-R40 VanDerWaalsContact O-N 3.1Å; C37-C41 PolarHBondContact O-N 3.38Å; C37-C41 PolarHBondContact O-SG 3.37Å; C37-C41 VanDerWaalsContact O-SG 3.41Å; C37-C76 VanDerWaalsContact C-SG 3.59Å; C37-C76 HydrophobicContact CB-CB 3.72Å; C37-C76 WeakPolarHBondContact CB-SG 3.08Å; C37-C76 WeakPolarHBondContact SG-CB 3.45Å; C37-C76 CovalentContact SG-SG 2.04Å; C37-C76 PolarHBondContact SG-SG 3.39Å; C37-G118 PolarHBondContact SG-O 2.73Å; C37-Q122 HydrophobicContact CB-CG 3.91Å; C37-Q122 VanDerWaalsContact CB-OE1 3.3Å |
| 38 | Q | 87.1 | Confident | 72.8 | Confident | 35 Ų | 35 | 87.9 Ų | 87.9 | 16% | 0.164 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 176.6 | -68.5 | 170.4 | 0.3 | 0 | 0 | 112.3 | T34 Q35 R40 C41 R42 D73 | T34-Q38 WeakPolarHBondContact O-CG 3.42Å; T34-Q38 PolarHBondContact O-N 2.89Å; T34-Q38 PolarHBondContact OG1-NE2 3.34Å; Q35-Q38 PolarHBondContact O-N 3.4Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.09Å; Q38-C41 PolarHBondContact O-N 3.06Å; Q38-R42 WeakPolarHBondContact O-CG 3.25Å; Q38-R42 PolarHBondContact O-N 3.33Å; Q38-R42 VanDerWaalsContact O-N 3.09Å; Q38-D73 WeakPolarHBondContact CA-OD1 3.42Å; Q38-D73 WeakPolarHBondContact CG-OD1 3.48Å |
| 39 | Q | 86.6 | Confident | 72.4 | Confident | 108 Ų | 108 | 90.3 Ų | 90.3 | 51% | 0.505 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.7 | -76 | 179.2 | -2 | 0 | 0 | 111.3 | Q35 C37 R42 Q43 | Q35-Q39 WeakPolarHBondContact O-CB 3.32Å; Q35-Q39 WeakPolarHBondContact O-CG 3.41Å; Q35-Q39 PolarHBondContact O-N 3.01Å; C37-Q39 VanDerWaalsContact C-N 3.33Å; C37-Q39 PolarHBondContact O-N 3.4Å; Q39-R42 PolarHBondContact O-N 2.04Å; Q39-Q43 WeakPolarHBondContact O-CG 3.48Å; Q39-Q43 PolarHBondContact O-N 2.87Å |
| 40 | R | 86.8 | Confident | 72 | Confident | 98 Ų | 98 | 91.3 Ų | 91.3 | 37% | 0.37 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 179.2 | -151.9 | 172 | 48 | -127.1 | -55.2 | 112.2 | R36 C37 Q38 R42 Q43 R44 G121 | R36-R40 PolarHBondContact O-N 3.06Å; R36-R40 VanDerWaalsContact O-N 3.15Å; C37-R40 PolarHBondContact O-N 3.11Å; C37-R40 VanDerWaalsContact O-N 3.1Å; Q38-R40 VanDerWaalsContact C-N 3.32Å; Q38-R40 PolarHBondContact O-N 3.09Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.35Å; R40-Q43 PolarHBondContact O-N 2.95Å; R40-R44 PolarHBondContact O-N 2.05Å; R40-G121 PolarHBondContact NH1-O 3.41Å; R40-G121 PolarHBondContact NH2-O 3.15Å |
| 41 | C | 89.1 | Confident | 71.3 | Confident | 4 Ų | 4 | 89.4 Ų | 89.4 | 3% | 0.027 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 170.7 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | C37 Q38 H45 C72 C76 | C37-C41 PolarHBondContact O-N 3.38Å; C37-C41 PolarHBondContact O-SG 3.37Å; C37-C41 VanDerWaalsContact O-SG 3.41Å; Q38-C41 PolarHBondContact O-N 3.06Å; C41-H45 PolarHBondContact O-N 3.38Å; C41-C72 HydrophobicContact CB-CB 3.7Å; C41-C72 WeakPolarHBondContact CB-SG 3.14Å; C41-C72 VanDerWaalsContact SG-C 3.59Å; C41-C72 WeakPolarHBondContact SG-CB 3.36Å; C41-C72 CovalentContact SG-SG 2.04Å; C41-C72 PolarHBondContact SG-SG 3.26Å; C41-C76 PolarHBondContact SG-SG 3.31Å |
| 42 | R | 87.5 | Confident | 70.4 | Confident | 146 Ų | 146 | 95.8 Ų | 95.8 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.4 | -36.4 | 177.5 | -67.7 | 174.4 | -172.1 | 175.5 | 2.7 | 113 | Q38 Q39 R40 H45 I69 | Q38-R42 WeakPolarHBondContact O-CG 3.25Å; Q38-R42 PolarHBondContact O-N 3.33Å; Q38-R42 VanDerWaalsContact O-N 3.09Å; Q39-R42 PolarHBondContact O-N 2.04Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 3.35Å; R42-H45 CarbonylContact O-C 3.58Å; R42-H45 PolarHBondContact O-N 3.47Å; R42-H45 VanDerWaalsContact O-O 3.13Å; R42-I69 HydrophobicContact CG-CG2 4.17Å |
| 43 | Q | 83.4 | Confident | 69.6 | Low | 138 Ų | 138 | 98.8 Ų | 98.8 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.9 | -33.8 | 178.5 | -72.4 | 174.4 | 16.3 | 0 | 0 | 112.7 | Q39 R40 H45 P46 | Q39-Q43 WeakPolarHBondContact O-CG 3.48Å; Q39-Q43 PolarHBondContact O-N 2.87Å; R40-Q43 PolarHBondContact O-N 2.95Å; Q43-H45 PolarHBondContact O-N 3.28Å; Q43-P46 VanDerWaalsContact O-CD 3.27Å; Q43-P46 WeakPolarHBondContact O-CD 3.38Å |
| 44 | R | 76.2 | Confident | 67.8 | Low | 191 Ų | 191 | 101.6 Ų | 101.6 | 72% | 0.721 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.1 | -26.5 | 177.2 | -155 | 76 | -176.1 | 132.9 | -1.2 | 112.7 | R40 P46 | R40-R44 PolarHBondContact O-N 2.05Å; R44-P46 VanDerWaalsContact O-CD 3.25Å; R44-P46 WeakPolarHBondContact O-CD 3.45Å |
| 45 | H | 68.9 | Low | 66.5 | Low | 41 Ų | 41 | 106.2 Ų | 106.2 | 19% | 0.19 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -114.9 | 64.4 | 172.7 | -64.9 | -64.7 | 0 | 0 | 0 | 110 | C41 R42 Q43 G47 K65 I69 | C41-H45 PolarHBondContact O-N 3.38Å; R42-H45 CarbonylContact O-C 3.58Å; R42-H45 PolarHBondContact O-N 3.47Å; R42-H45 VanDerWaalsContact O-O 3.13Å; Q43-H45 PolarHBondContact O-N 3.28Å; H45-G47 PolarHBondContact O-N 2.87Å; H45-K65 HydrophobicContact CB-CD 4.44Å; H45-K65 HydrophobicContact CB-CG 4.03Å; H45-K65 WeakPolarHBondContact O-CE 3.41Å; H45-K65 PolarHBondContact O-NZ 3.39Å; H45-I69 HydrophobicContact CB-CD1 3.8Å; H45-I69 HydrophobicContact CB-CG1 3.7Å |
| 46 | P | 58 | Low | 64.5 | Low | 90 Ų | 90 | 109.5 Ų | 109.5 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | trans | -64.6 | 124.3 | -174.9 | 28.2 | -31.5 | 0 | 0 | 0 | 108.7 | Q43 R44 K65 | Q43-P46 VanDerWaalsContact O-CD 3.27Å; Q43-P46 WeakPolarHBondContact O-CD 3.38Å; R44-P46 VanDerWaalsContact O-CD 3.25Å; R44-P46 WeakPolarHBondContact O-CD 3.45Å; P46-K65 PolarHBondContact O-NZ 3.17Å | ||
| 47 | G | 56.6 | Low | 63 | Low | 52 Ų | 52 | 104.3 Ų | 104.3 | 54% | 0.536 | 57% | 0.568 | S | S | . | * | trans | -37.2 | 145.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H45 | H45-G47 PolarHBondContact O-N 2.87Š| ||
| 48 | P | 47.8 | Very low | 61.1 | Low | 102 Ų | 102 | 108.9 Ų | 108.9 | 66% | 0.662 | 60% | 0.597 | S | S | * | * | trans | -51.6 | 133.9 | 167.6 | 23 | -30 | 0 | 0 | 0 | 108.4 | ||||
| 49 | P | 45.7 | Very low | 59.5 | Low | 101 Ų | 101 | 111 Ų | 111 | 66% | 0.656 | 62% | 0.616 | S | S | * | * | trans | -58.8 | 148.7 | 178.7 | 23.7 | -32 | 0 | 0 | 0 | 109.7 | V51 | P49-V51 VanDerWaalsContact C-N 3.31Å; P49-V51 HydrophobicContact CB-CG2 4.48Å; P49-V51 PolarHBondContact O-N 3.44Å | ||
| 50 | P | 49.6 | Very low | 58.1 | Low | 136 Ų | 136 | 113.2 Ų | 113.2 | 88% | 0.883 | 63% | 0.627 | S | S | * | * | trans | -74.2 | 88.1 | 175.9 | 30.7 | -31.4 | 0 | 0 | 0 | 108.5 | ||||
| 51 | V | 43.6 | Very low | 56.9 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 69% | 0.685 | 64% | 0.638 | S | S | * | * | trans | -135.9 | 111.3 | 171.8 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | P49 | P49-V51 VanDerWaalsContact C-N 3.31Å; P49-V51 HydrophobicContact CB-CG2 4.48Å; P49-V51 PolarHBondContact O-N 3.44Å | ||
| 52 | Q | 41.7 | Very low | 55.8 | Low | 171 Ų | 171 | 115.6 Ų | 115.6 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | trans | 45.7 | 146 | 147.9 | -67.2 | -96.2 | -13.5 | 0 | 0 | 119.5 | E54 | Q52-E54 PolarHBondContact O-N 3.29Š| ||
| 53 | P | 48.2 | Very low | 55.1 | Low | 112 Ų | 112 | 113.5 Ų | 113.5 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -79 | 109.7 | -169.7 | 32 | -29.9 | 0 | 0 | 0 | 110.8 | ||||
| 54 | E | 33.5 | Very low | 55 | Low | 181 Ų | 181 | 111.4 Ų | 111.4 | 85% | 0.846 | 65% | 0.651 | S | S | * | * | trans | -134.9 | 148.2 | 153.9 | -90.5 | -148 | 95.2 | 0 | 0 | 112.2 | Q52 | Q52-E54 PolarHBondContact O-N 3.29Š| ||
| 55 | P | 51.6 | Low | 55.3 | Low | 114 Ų | 114 | 104.3 Ų | 104.3 | 74% | 0.74 | 63% | 0.625 | S | S | * | * | trans | -106.9 | 90.5 | -153.1 | 28.4 | -10.7 | 0 | 0 | 0 | 110.5 | ||||
| 56 | Q | 40.6 | Very low | 56.2 | Low | 181 Ų | 181 | 105.1 Ų | 105.1 | 85% | 0.846 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -138.1 | 128.8 | 160.1 | -66.8 | -174.4 | 10.2 | 0 | 0 | 108.8 | P58 | Q56-P58 WeakPolarHBondContact O-CD 3.09Š|
| 57 | G | 52.6 | Low | 57.7 | Low | 76 Ų | 76 | 103.8 Ų | 103.8 | 78% | 0.784 | 63% | 0.629 | S | S | * | * | trans | -31.8 | 108.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 58 | P | 48.9 | Very low | 59.3 | Low | 96 Ų | 96 | 103 Ų | 103 | 62% | 0.623 | 61% | 0.613 | S | S | * | * | trans | -99.5 | -2.2 | -171.6 | 1.5 | 18.6 | 0 | 0 | 0 | 115.7 | Q56 | Q56-P58 WeakPolarHBondContact O-CD 3.09Š| ||
| 59 | S | 53.2 | Low | 61.3 | Low | 80 Ų | 80 | 99.7 Ų | 99.7 | 56% | 0.559 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.2 | -37.8 | -164.4 | 49.2 | 0 | 0 | 0 | 0 | 114.4 | N63 | S59-N63 WeakPolarHBondContact O-CB 3.07Å; S59-N63 VanDerWaalsContact O-CG 3.25Å; S59-N63 PolarHBondContact O-N 3.08Å; S59-N63 PolarHBondContact O-ND2 3.46Å |
| 60 | E | 55.6 | Low | 63.4 | Low | 155 Ų | 155 | 97 Ų | 97 | 72% | 0.724 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74.9 | -38.4 | -176.3 | -68.4 | -171.1 | 147.9 | 0 | 0 | 113 | N63 N64 | E60-N63 PolarHBondContact O-N 3.06Å; E60-N64 WeakPolarHBondContact O-CB 3.09Å; E60-N64 VanDerWaalsContact O-CG 3.24Å; E60-N64 PolarHBondContact O-N 2.71Å; E60-N64 PolarHBondContact O-ND2 3.24Å |
| 61 | S | 61.7 | Low | 65.4 | Low | 86 Ų | 86 | 90.5 Ų | 90.5 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.5 | -38.1 | -178.8 | 67.5 | 0 | 0 | 0 | 0 | 112.5 | K65 | S61-K65 WeakPolarHBondContact O-CB 3.49Å; S61-K65 PolarHBondContact O-N 2.91Å; S61-K65 VanDerWaalsContact O-N 3.16Å |
| 62 | S | 66.9 | Low | 67.8 | Low | 65 Ų | 65 | 85.3 Ų | 85.3 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | K65 A66 | S62-K65 PolarHBondContact O-N 3.08Å; S62-A66 PolarHBondContact O-N 2.63Å; S62-A66 VanDerWaalsContact O-N 3.08Å |
| 63 | N | 71.8 | Confident | 70.1 | Confident | 103 Ų | 103 | 78.7 Ų | 78.7 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 177.6 | -75.2 | -29.1 | 0 | 0 | 0 | 112.1 | S59 E60 K65 A66 V67 | S59-N63 WeakPolarHBondContact O-CB 3.07Å; S59-N63 VanDerWaalsContact O-CG 3.25Å; S59-N63 PolarHBondContact O-N 3.08Å; S59-N63 PolarHBondContact O-ND2 3.46Å; E60-N63 PolarHBondContact O-N 3.06Å; N63-K65 PolarHBondContact O-N 2.85Å; N63-A66 PolarHBondContact O-N 3.35Å; N63-V67 VanDerWaalsContact O-CG2 3.29Å; N63-V67 WeakPolarHBondContact O-CG2 3.2Å; N63-V67 PolarHBondContact O-N 3.05Å |
| 64 | N | 81.8 | Confident | 72.1 | Confident | 93 Ų | 93 | 80 Ų | 80 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.2 | -39.8 | 176.6 | -78.9 | -42.6 | 0 | 0 | 0 | 111.6 | E60 V67 L68 | E60-N64 WeakPolarHBondContact O-CB 3.09Å; E60-N64 VanDerWaalsContact O-CG 3.24Å; E60-N64 PolarHBondContact O-N 2.71Å; E60-N64 PolarHBondContact O-ND2 3.24Å; N64-V67 WeakPolarHBondContact O-CB 3.33Å; N64-V67 PolarHBondContact O-N 2.77Å; N64-L68 WeakPolarHBondContact O-CG 3.12Å; N64-L68 PolarHBondContact O-N 2.87Å |
| 65 | K | 83.6 | Confident | 74.8 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 18% | 0.183 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 178 | -177.1 | 179.5 | 175.6 | -176 | 0 | 113.7 | H45 P46 S61 S62 N63 V67 L68 I69 | H45-K65 HydrophobicContact CB-CD 4.44Å; H45-K65 HydrophobicContact CB-CG 4.03Å; H45-K65 WeakPolarHBondContact O-CE 3.41Å; H45-K65 PolarHBondContact O-NZ 3.39Å; P46-K65 PolarHBondContact O-NZ 3.17Å; S61-K65 WeakPolarHBondContact O-CB 3.49Å; S61-K65 PolarHBondContact O-N 2.91Å; S61-K65 VanDerWaalsContact O-N 3.16Å; S62-K65 PolarHBondContact O-N 3.08Å; N63-K65 PolarHBondContact O-N 2.85Å; K65-V67 PolarHBondContact O-N 3.26Å; K65-L68 PolarHBondContact O-N 3.37Å; K65-I69 HydrophobicContact CG-CD1 4.17Å; K65-I69 WeakPolarHBondContact O-CG1 3.45Å; K65-I69 PolarHBondContact O-N 3.15Å |
| 66 | A | 86.8 | Confident | 76.6 | Confident | 58 Ų | 58 | 66 Ų | 66 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.5 | -37.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S62 N63 I69 S70 | S62-A66 PolarHBondContact O-N 2.63Å; S62-A66 VanDerWaalsContact O-N 3.08Å; N63-A66 PolarHBondContact O-N 3.35Å; A66-I69 PolarHBondContact O-N 3.33Å; A66-S70 WeakPolarHBondContact O-CB 3.46Å; A66-S70 PolarHBondContact O-N 3.23Å |
| 67 | V | 89.5 | Confident | 79 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | N63 N64 K65 S70 A71 E111 | N63-V67 VanDerWaalsContact O-CG2 3.29Å; N63-V67 WeakPolarHBondContact O-CG2 3.2Å; N63-V67 PolarHBondContact O-N 3.05Å; N64-V67 WeakPolarHBondContact O-CB 3.33Å; N64-V67 PolarHBondContact O-N 2.77Å; K65-V67 PolarHBondContact O-N 3.26Å; V67-S70 PolarHBondContact O-N 3.31Å; V67-A71 PolarHBondContact O-N 3.42Å; V67-E111 HydrophobicContact CG1-CG 3.97Å; V67-E111 VanDerWaalsContact CG1-OE1 3.27Å; V67-E111 WeakPolarHBondContact CG1-OE1 3.18Å |
| 68 | L | 89.8 | Confident | 80.7 | Confident | 36 Ų | 36 | 60 Ų | 60 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.4 | -64.3 | 176.3 | 0 | 0 | 0 | 112.4 | N64 K65 S70 A71 C72 A110 E111 A114 | N64-L68 WeakPolarHBondContact O-CG 3.12Å; N64-L68 PolarHBondContact O-N 2.87Å; K65-L68 PolarHBondContact O-N 3.37Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 2.97Å; L68-A71 WeakPolarHBondContact O-CB 3.47Å; L68-A71 PolarHBondContact O-N 2.82Å; L68-A71 VanDerWaalsContact O-N 3.11Å; L68-C72 PolarHBondContact O-N 2.99Å; L68-A110 VanDerWaalsContact CD2-C 3.42Å; L68-A110 HydrophobicContact CD2-CB 3.85Å; L68-A110 VanDerWaalsContact CD2-O 3.25Å; L68-A110 WeakPolarHBondContact CD2-O 3.4Å; L68-E111 HydrophobicContact CD2-CG 4.2Å; L68-A114 HydrophobicContact CB-CB 4.16Å; L68-A114 HydrophobicContact CD2-CB 4.07Å; L68-A114 WeakPolarHBondContact O-CB 3.18Å |
| 69 | I | 89.8 | Confident | 82.6 | Confident | 32 Ų | 32 | 55.6 Ų | 55.6 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.9 | -65.5 | 167.2 | 0 | 0 | 0 | 110.3 | R42 H45 K65 A66 A71 C72 D73 | R42-I69 HydrophobicContact CG-CG2 4.17Å; H45-I69 HydrophobicContact CB-CD1 3.8Å; H45-I69 HydrophobicContact CB-CG1 3.7Å; K65-I69 HydrophobicContact CG-CD1 4.17Å; K65-I69 WeakPolarHBondContact O-CG1 3.45Å; K65-I69 PolarHBondContact O-N 3.15Å; A66-I69 PolarHBondContact O-N 3.33Å; I69-A71 VanDerWaalsContact C-N 3.29Å; I69-A71 PolarHBondContact O-N 2.82Å; I69-C72 PolarHBondContact O-N 2.95Å; I69-D73 PolarHBondContact O-N 3.48Å |
| 70 | S | 90.5 | Very high | 84.1 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 31% | 0.308 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -32.7 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | A66 V67 L68 R74 | A66-S70 WeakPolarHBondContact O-CB 3.46Å; A66-S70 PolarHBondContact O-N 3.23Å; V67-S70 PolarHBondContact O-N 3.31Å; L68-S70 VanDerWaalsContact C-N 3.31Å; L68-S70 PolarHBondContact O-N 2.97Å; S70-R74 VanDerWaalsContact O-CG 3.28Å; S70-R74 WeakPolarHBondContact O-CG 3.33Å; S70-R74 PolarHBondContact O-N 3.22Å; S70-R74 PolarHBondContact OG-NH2 3.41Å |
| 71 | A | 92.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V67 L68 I69 R74 G75 Y106 E111 A114 | V67-A71 PolarHBondContact O-N 3.42Å; L68-A71 WeakPolarHBondContact O-CB 3.47Å; L68-A71 PolarHBondContact O-N 2.82Å; L68-A71 VanDerWaalsContact O-N 3.11Å; I69-A71 VanDerWaalsContact C-N 3.29Å; I69-A71 PolarHBondContact O-N 2.82Å; A71-R74 WeakPolarHBondContact O-CB 3.38Å; A71-R74 PolarHBondContact O-N 3.39Å; A71-G75 PolarHBondContact O-N 3.48Å; A71-Y106 WeakPolarHBondContact CA-OH 3.48Å; A71-Y106 HydrophobicContact CB-CE1 4.03Å; A71-Y106 HydrophobicContact CB-CE2 4.46Å; A71-E111 HydrophobicContact CB-CB 4.33Å; A71-A114 HydrophobicContact CB-CB 4.15Å |
| 72 | C | 92.3 | Very high | 86.6 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 174.2 | -169.7 | 0 | 0 | 0 | 0 | 112.4 | C41 L68 I69 R74 G75 C76 A114 | C41-C72 HydrophobicContact CB-CB 3.7Å; C41-C72 WeakPolarHBondContact CB-SG 3.14Å; C41-C72 VanDerWaalsContact SG-C 3.59Å; C41-C72 WeakPolarHBondContact SG-CB 3.36Å; C41-C72 CovalentContact SG-SG 2.04Å; C41-C72 PolarHBondContact SG-SG 3.26Å; L68-C72 PolarHBondContact O-N 2.99Å; I69-C72 PolarHBondContact O-N 2.95Å; C72-R74 PolarHBondContact O-N 2.97Å; C72-G75 WeakPolarHBondContact O-CA 3.48Å; C72-G75 PolarHBondContact O-N 3.2Å; C72-C76 PolarHBondContact O-N 3.01Å; C72-C76 PolarHBondContact O-SG 3.32Å; C72-C76 VanDerWaalsContact O-SG 3.41Å; C72-A114 WeakPolarHBondContact CA-O 3.42Å; C72-A114 WeakPolarHBondContact CB-O 3.24Å |
| 73 | D | 90.2 | Very high | 87.4 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.171 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -32.5 | 176.9 | -76.7 | -14.4 | 0 | 0 | 0 | 112.2 | Q38 I69 R77 | Q38-D73 WeakPolarHBondContact CA-OD1 3.42Å; Q38-D73 WeakPolarHBondContact CG-OD1 3.48Å; I69-D73 PolarHBondContact O-N 3.48Å; D73-R77 WeakPolarHBondContact O-CG 3.05Å; D73-R77 PolarHBondContact O-N 3.04Å |
| 74 | R | 90.3 | Very high | 87.8 | Confident | 140 Ų | 140 | 51.3 Ų | 51.3 | 53% | 0.528 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.9 | -41.8 | 173 | -73.5 | 169.3 | -172 | 154.6 | 7.9 | 111.8 | S70 A71 C72 C76 R77 L78 Y106 | S70-R74 VanDerWaalsContact O-CG 3.28Å; S70-R74 WeakPolarHBondContact O-CG 3.33Å; S70-R74 PolarHBondContact O-N 3.22Å; S70-R74 PolarHBondContact OG-NH2 3.41Å; A71-R74 WeakPolarHBondContact O-CB 3.38Å; A71-R74 PolarHBondContact O-N 3.39Å; C72-R74 PolarHBondContact O-N 2.97Å; R74-C76 PolarHBondContact O-N 3.49Å; R74-R77 PolarHBondContact O-N 3.34Å; R74-L78 WeakPolarHBondContact O-CB 3.41Å; R74-L78 PolarHBondContact O-N 3.36Å; R74-Y106 VanDerWaalsContact CD-OH 3.25Å; R74-Y106 WeakPolarHBondContact CD-OH 3.43Å; R74-Y106 PolarHBondContact NH1-OH 2.94Å; R74-Y106 VanDerWaalsContact NH1-OH 3.1Å |
| 75 | G | 91 | Very high | 87.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A71 C72 R77 L78 F79 | A71-G75 PolarHBondContact O-N 3.48Å; C72-G75 WeakPolarHBondContact O-CA 3.48Å; C72-G75 PolarHBondContact O-N 3.2Å; G75-R77 VanDerWaalsContact C-N 3.26Å; G75-R77 PolarHBondContact O-N 3.23Å; G75-L78 PolarHBondContact O-N 3.16Å; G75-L78 VanDerWaalsContact O-N 3.17Å; G75-F79 PolarHBondContact O-N 3.22Å |
| 76 | C | 90.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.3 | -38.1 | 175.8 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | C37 C41 C72 R74 G118 | C37-C76 VanDerWaalsContact C-SG 3.59Å; C37-C76 HydrophobicContact CB-CB 3.72Å; C37-C76 WeakPolarHBondContact CB-SG 3.08Å; C37-C76 WeakPolarHBondContact SG-CB 3.45Å; C37-C76 CovalentContact SG-SG 2.04Å; C37-C76 PolarHBondContact SG-SG 3.39Å; C41-C76 PolarHBondContact SG-SG 3.31Å; C72-C76 PolarHBondContact O-N 3.01Å; C72-C76 PolarHBondContact O-SG 3.32Å; C72-C76 VanDerWaalsContact O-SG 3.41Å; R74-C76 PolarHBondContact O-N 3.49Å; C76-G118 WeakPolarHBondContact CA-O 3.11Å |
| 77 | R | 89.3 | Confident | 86.1 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -74.3 | -41.4 | 177.4 | -71.1 | 175.4 | 175.9 | -164.2 | -2.3 | 111.6 | D25 L31 D73 R74 G75 F79 S80 I81 | D25-R77 IonicContact OD2-CZ 2.66Å; D25-R77 IonicContact OD2-NH1 2.71Å; D25-R77 PolarHBondContact OD2-NH1 3.43Å; L31-R77 HydrophobicContact CD2-CB 3.92Å; L31-R77 HydrophobicContact CD2-CG 4.29Å; D73-R77 WeakPolarHBondContact O-CG 3.05Å; D73-R77 PolarHBondContact O-N 3.04Å; R74-R77 PolarHBondContact O-N 3.34Å; G75-R77 VanDerWaalsContact C-N 3.26Å; G75-R77 PolarHBondContact O-N 3.23Å; R77-F79 VanDerWaalsContact C-N 3.33Å; R77-F79 PolarHBondContact O-N 3.08Å; R77-S80 WeakPolarHBondContact O-CB 3.47Å; R77-S80 PolarHBondContact O-N 2.94Å; R77-I81 WeakPolarHBondContact O-CG1 3.34Å; R77-I81 PolarHBondContact O-N 3.29Å; R77-I81 VanDerWaalsContact O-N 3.12Å |
| 78 | L | 88.5 | Confident | 84.5 | Confident | 50 Ų | 50 | 60.6 Ų | 60.6 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 179.6 | -172.5 | 62.7 | 0 | 0 | 0 | 111.1 | R74 G75 S80 I81 C82 A101 | R74-L78 WeakPolarHBondContact O-CB 3.41Å; R74-L78 PolarHBondContact O-N 3.36Å; G75-L78 PolarHBondContact O-N 3.16Å; G75-L78 VanDerWaalsContact O-N 3.17Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.47Å; L78-I81 WeakPolarHBondContact O-CB 3.19Å; L78-I81 PolarHBondContact O-N 2.99Å; L78-C82 PolarHBondContact O-N 3.26Å; L78-C82 PolarHBondContact O-SG 2.04Å; L78-C82 VanDerWaalsContact O-SG 3.34Å; L78-A101 HydrophobicContact CD2-CB 3.73Å |
| 79 | F | 88.6 | Confident | 83.1 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 175.9 | -176 | -89.6 | 0 | 0 | 0 | 112.6 | G75 R77 I81 C82 R83 E95 C98 C119 Q122 | G75-F79 PolarHBondContact O-N 3.22Å; R77-F79 VanDerWaalsContact C-N 3.33Å; R77-F79 PolarHBondContact O-N 3.08Å; F79-I81 VanDerWaalsContact C-N 3.28Å; F79-I81 PolarHBondContact O-N 3.35Å; F79-C82 PolarHBondContact O-N 2.89Å; F79-R83 VanDerWaalsContact O-CB 3.25Å; F79-R83 WeakPolarHBondContact O-CB 3.48Å; F79-R83 PolarHBondContact O-N 3.12Å; F79-E95 HydrophobicContact CE2-CB 4.27Å; F79-C98 HydrophobicContact CD2-CB 4.28Å; F79-C119 HydrophobicContact CD2-CB 4.39Å; F79-C119 WeakPolarHBondContact CD2-O 3.38Å; F79-Q122 HydrophobicContact CB-CB 4.49Å; F79-Q122 HydrophobicContact CB-CG 4.5Å; F79-Q122 HydrophobicContact CD1-CB 3.16Å; F79-Q122 HydrophobicContact CD1-CG 3.88Å; F79-Q122 HydrophobicContact CE1-CB 3.37Å; F79-Q122 HydrophobicContact CG-CB 3.94Å; F79-Q122 HydrophobicContact CG-CG 4.45Å; F79-Q122 HydrophobicContact CZ-CB 4.3Å |
| 80 | S | 86.1 | Confident | 81.8 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 175 | -75.6 | 0 | 0 | 0 | 0 | 112.4 | L31 T34 R77 L78 F84 Q122 | L31-S80 WeakPolarHBondContact O-CB 3.29Å; L31-S80 PolarHBondContact O-OG 2.92Å; T34-S80 WeakPolarHBondContact CG2-OG 3.27Å; R77-S80 WeakPolarHBondContact O-CB 3.47Å; R77-S80 PolarHBondContact O-N 2.94Å; L78-S80 VanDerWaalsContact C-N 3.33Å; L78-S80 PolarHBondContact O-N 3.47Å; S80-F84 WeakPolarHBondContact O-CB 3.1Å; S80-F84 PolarHBondContact O-N 3.41Å; S80-Q122 PolarHBondContact OG-NE2 3.47Å |
| 81 | I | 85.2 | Confident | 80.9 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 40% | 0.395 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.3 | -51.1 | 176.9 | -62.3 | 165.4 | 0 | 0 | 0 | 110.2 | L31 R77 L78 F79 R83 F84 V85 | L31-I81 HydrophobicContact CD1-CG1 4.46Å; L31-I81 HydrophobicContact CD2-CD1 3.9Å; L31-I81 HydrophobicContact CD2-CG1 3.65Å; L31-I81 HydrophobicContact CG-CG1 3.96Å; R77-I81 WeakPolarHBondContact O-CG1 3.34Å; R77-I81 PolarHBondContact O-N 3.29Å; R77-I81 VanDerWaalsContact O-N 3.12Å; L78-I81 WeakPolarHBondContact O-CB 3.19Å; L78-I81 PolarHBondContact O-N 2.99Å; F79-I81 VanDerWaalsContact C-N 3.28Å; F79-I81 PolarHBondContact O-N 3.35Å; I81-R83 VanDerWaalsContact C-N 3.28Å; I81-R83 PolarHBondContact O-N 3.26Å; I81-F84 PolarHBondContact O-N 2.94Å; I81-F84 VanDerWaalsContact O-N 3.09Å; I81-V85 HydrophobicContact CG2-CG2 4.23Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 2.94Å |
| 82 | C | 84.9 | Confident | 80.3 | Confident | 19 Ų | 19 | 74.7 Ų | 74.7 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -56 | -44.9 | 178.9 | -66.6 | 0 | 0 | 0 | 0 | 111 | L78 F79 F84 V85 A86 | L78-C82 PolarHBondContact O-N 3.26Å; L78-C82 PolarHBondContact O-SG 2.04Å; L78-C82 VanDerWaalsContact O-SG 3.34Å; F79-C82 PolarHBondContact O-N 2.89Å; C82-F84 PolarHBondContact O-N 3.26Å; C82-V85 PolarHBondContact O-N 2.97Å; C82-A86 WeakPolarHBondContact O-CB 3.34Å; C82-A86 PolarHBondContact O-N 3.03Å |
| 83 | R | 82.3 | Confident | 79.7 | Confident | 159 Ų | 159 | 76.2 Ų | 76.2 | 60% | 0.6 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.6 | -37.7 | 176.9 | -170.1 | -177.7 | 123.6 | 98.4 | 1 | 113.1 | F79 I81 T94 | F79-R83 VanDerWaalsContact O-CB 3.25Å; F79-R83 WeakPolarHBondContact O-CB 3.48Å; F79-R83 PolarHBondContact O-N 3.12Å; I81-R83 VanDerWaalsContact C-N 3.28Å; I81-R83 PolarHBondContact O-N 3.26Å; R83-T94 HydrophobicContact CB-CG2 4.5Å |
| 84 | F | 80.6 | Confident | 79.4 | Confident | 126 Ų | 126 | 74.9 Ų | 74.9 | 55% | 0.553 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -68.7 | -44.1 | 177 | 179.9 | -98.3 | 0 | 0 | 0 | 111.9 | S80 I81 C82 | S80-F84 WeakPolarHBondContact O-CB 3.1Å; S80-F84 PolarHBondContact O-N 3.41Å; I81-F84 PolarHBondContact O-N 2.94Å; I81-F84 VanDerWaalsContact O-N 3.09Å; C82-F84 PolarHBondContact O-N 3.26Å |
| 85 | V | 83.2 | Confident | 79.2 | Confident | 105 Ų | 105 | 69 Ų | 69 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 179.2 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | I81 C82 R87 | I81-V85 HydrophobicContact CG2-CG2 4.23Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 2.94Å; C82-V85 PolarHBondContact O-N 2.97Å; V85-R87 VanDerWaalsContact C-N 3.26Å; V85-R87 PolarHBondContact O-N 2.89Å |
| 86 | A | 74.9 | Confident | 79.1 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -0.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | C82 S88 S89 T94 | C82-A86 WeakPolarHBondContact O-CB 3.34Å; C82-A86 PolarHBondContact O-N 3.03Å; A86-S88 PolarHBondContact O-N 3.45Å; A86-S89 WeakPolarHBondContact CB-OG 3.25Å; A86-S89 PolarHBondContact O-N 3.38Å; A86-S89 VanDerWaalsContact O-N 3.17Å; A86-T94 HydrophobicContact CB-CG2 3.91Å |
| 87 | R | 59.2 | Low | 79 | Confident | 201 Ų | 201 | 77.4 Ų | 77.4 | 76% | 0.758 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 36.9 | -13.2 | 170.9 | -95.9 | -174.6 | 173.7 | 98.7 | -1.8 | 121.2 | V85 | V85-R87 VanDerWaalsContact C-N 3.26Å; V85-R87 PolarHBondContact O-N 2.89Å |
| 88 | S | 54.5 | Low | 79.1 | Confident | 120 Ų | 120 | 73.5 Ų | 73.5 | 84% | 0.839 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -168.5 | 3.9 | -178.2 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | A86 | A86-S88 PolarHBondContact O-N 3.45Š|
| 89 | S | 60.8 | Low | 79.3 | Confident | 47 Ų | 47 | 74.8 Ų | 74.8 | 33% | 0.329 | 38% | 0.377 | S | S | . | . | trans | -73.1 | 149.5 | 177.3 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | A86 T94 | A86-S89 WeakPolarHBondContact CB-OG 3.25Å; A86-S89 PolarHBondContact O-N 3.38Å; A86-S89 VanDerWaalsContact O-N 3.17Å; S89-T94 WeakPolarHBondContact OG-CG2 3.28Å | ||
| 90 | R | 63.5 | Low | 79.4 | Confident | 208 Ų | 208 | 76.7 Ų | 76.7 | 79% | 0.785 | 39% | 0.394 | S | S | * | . | trans | -56.9 | 147.2 | 175.6 | -67.3 | -177.5 | -174.5 | 172.9 | 1.8 | 109.4 | N92 A93 T94 | R90-N92 PolarHBondContact O-N 3.24Å; R90-A93 WeakPolarHBondContact O-CB 3.43Å; R90-A93 PolarHBondContact O-N 3.46Å; R90-T94 PolarHBondContact O-N 3.21Å | ||
| 91 | T | 72 | Confident | 79.7 | Confident | 50 Ų | 50 | 77.4 Ų | 77.4 | 31% | 0.307 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -46.5 | -38.2 | 175 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | A93 T94 E95 | T91-A93 VanDerWaalsContact C-N 3.35Å; T91-A93 PolarHBondContact O-N 2.98Å; T91-T94 WeakPolarHBondContact CA-OG1 3.42Å; T91-T94 PolarHBondContact O-N 3.18Å; T91-T94 PolarHBondContact O-OG1 3.46Å; T91-E95 WeakPolarHBondContact O-CB 3.4Å; T91-E95 PolarHBondContact O-N 2.95Å |
| 92 | N | 78.1 | Confident | 80.1 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.8 | -34.5 | -179.7 | -55.2 | 1.8 | 0 | 0 | 0 | 112.7 | R90 T96 | R90-N92 PolarHBondContact O-N 3.24Å; N92-T96 WeakPolarHBondContact O-CG2 2.98Å; N92-T96 PolarHBondContact O-N 3.42Å; N92-T96 PolarHBondContact O-OG1 2.73Å |
| 93 | A | 81 | Confident | 80.5 | Confident | 36 Ų | 36 | 75.9 Ų | 75.9 | 30% | 0.298 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.2 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R90 T91 E95 T96 E97 | R90-A93 WeakPolarHBondContact O-CB 3.43Å; R90-A93 PolarHBondContact O-N 3.46Å; T91-A93 VanDerWaalsContact C-N 3.35Å; T91-A93 PolarHBondContact O-N 2.98Å; A93-E95 PolarHBondContact O-N 3.23Å; A93-T96 PolarHBondContact O-N 2.88Å; A93-T96 PolarHBondContact O-OG1 3.05Å; A93-E97 WeakPolarHBondContact O-CG 3.21Å; A93-E97 PolarHBondContact O-N 3.22Å |
| 94 | T | 83.8 | Confident | 81 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.018 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.4 | -30.7 | 177.2 | 51.5 | 0 | 0 | 0 | 0 | 113 | R83 A86 S89 R90 T91 C98 | R83-T94 HydrophobicContact CB-CG2 4.5Å; A86-T94 HydrophobicContact CB-CG2 3.91Å; S89-T94 WeakPolarHBondContact OG-CG2 3.28Å; R90-T94 PolarHBondContact O-N 3.21Å; T91-T94 WeakPolarHBondContact CA-OG1 3.42Å; T91-T94 PolarHBondContact O-N 3.18Å; T91-T94 PolarHBondContact O-OG1 3.46Å; T94-C98 WeakPolarHBondContact O-CB 3.47Å; T94-C98 PolarHBondContact O-N 3.41Å; T94-C98 VanDerWaalsContact O-N 3.08Å |
| 95 | E | 85.8 | Confident | 81.6 | Confident | 16 Ų | 16 | 73.6 Ų | 73.6 | 8% | 0.075 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.8 | -46.2 | 176.3 | -172.5 | -172.9 | 93.4 | 0 | 0 | 111.3 | F79 T91 A93 E97 C98 E99 W120 T123 | F79-E95 HydrophobicContact CE2-CB 4.27Å; T91-E95 WeakPolarHBondContact O-CB 3.4Å; T91-E95 PolarHBondContact O-N 2.95Å; A93-E95 PolarHBondContact O-N 3.23Å; E95-E97 VanDerWaalsContact C-N 3.3Å; E95-E97 PolarHBondContact O-N 2.99Å; E95-C98 WeakPolarHBondContact O-CB 2.75Å; E95-C98 PolarHBondContact O-N 3.3Å; E95-C98 VanDerWaalsContact O-N 3.15Å; E95-E99 PolarHBondContact O-N 3.19Å; E95-W120 HydrophobicContact CG-CD2 4.22Å; E95-W120 HydrophobicContact CG-CE3 4.31Å; E95-W120 HydrophobicContact CG-CH2 4.45Å; E95-W120 HydrophobicContact CG-CZ2 4.31Å; E95-W120 HydrophobicContact CG-CZ3 4.44Å; E95-W120 WeakPolarHBondContact OE1-CH2 3.33Å; E95-W120 WeakPolarHBondContact OE1-CZ2 3.22Å; E95-W120 WeakPolarHBondContact OE1-CZ3 3.34Å; E95-W120 WeakPolarHBondContact OE2-CZ3 3.21Å; E95-T123 PolarHBondContact OE2-OG1 3.27Å |
| 96 | T | 87.9 | Confident | 81.9 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 176.3 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | N92 A93 A100 | N92-T96 WeakPolarHBondContact O-CG2 2.98Å; N92-T96 PolarHBondContact O-N 3.42Å; N92-T96 PolarHBondContact O-OG1 2.73Å; A93-T96 PolarHBondContact O-N 2.88Å; A93-T96 PolarHBondContact O-OG1 3.05Å; T96-A100 WeakPolarHBondContact O-CB 2.82Å; T96-A100 PolarHBondContact O-N 3.03Å |
| 97 | E | 89.3 | Confident | 82.7 | Confident | 96 Ų | 96 | 75.7 Ų | 75.7 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 173.9 | -73.2 | 174.1 | -166.5 | 0 | 0 | 111.6 | A93 E95 A101 | A93-E97 WeakPolarHBondContact O-CG 3.21Å; A93-E97 PolarHBondContact O-N 3.22Å; E95-E97 VanDerWaalsContact C-N 3.3Å; E95-E97 PolarHBondContact O-N 2.99Å; E97-A101 WeakPolarHBondContact O-CB 3.44Å; E97-A101 PolarHBondContact O-N 3.05Å; E97-A101 VanDerWaalsContact O-N 3.15Å |
| 98 | C | 91.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 176.2 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | F79 T94 E95 A101 C102 C119 | F79-C98 HydrophobicContact CD2-CB 4.28Å; T94-C98 WeakPolarHBondContact O-CB 3.47Å; T94-C98 PolarHBondContact O-N 3.41Å; T94-C98 VanDerWaalsContact O-N 3.08Å; E95-C98 WeakPolarHBondContact O-CB 2.75Å; E95-C98 PolarHBondContact O-N 3.3Å; E95-C98 VanDerWaalsContact O-N 3.15Å; C98-A101 PolarHBondContact O-N 2.84Å; C98-C102 PolarHBondContact O-N 3Å; C98-C102 PolarHBondContact O-SG 3.19Å; C98-C119 VanDerWaalsContact C-SG 3.54Å; C98-C119 HydrophobicContact CB-CB 3.73Å; C98-C119 WeakPolarHBondContact CB-SG 3.3Å; C98-C119 WeakPolarHBondContact SG-CB 3.38Å; C98-C119 CovalentContact SG-SG 2.04Å; C98-C119 PolarHBondContact SG-SG 3.05Å |
| 99 | E | 91.7 | Very high | 85.9 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 178.2 | -174.4 | 171.7 | -164.1 | 0 | 0 | 111.5 | E95 A101 C102 T103 | E95-E99 PolarHBondContact O-N 3.19Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.42Å; E99-C102 WeakPolarHBondContact O-CB 3.07Å; E99-C102 PolarHBondContact O-N 3.28Å; E99-C102 VanDerWaalsContact O-N 3.12Å; E99-T103 HydrophobicContact CG-CG2 4.39Å; E99-T103 WeakPolarHBondContact O-CG2 3.34Å; E99-T103 PolarHBondContact O-N 3.01Å |
| 100 | A | 91.9 | Very high | 87.2 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 37% | 0.372 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -56.3 | -49 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | T96 C102 T103 E104 | T96-A100 WeakPolarHBondContact O-CB 2.82Å; T96-A100 PolarHBondContact O-N 3.03Å; A100-C102 VanDerWaalsContact C-N 3.32Å; A100-C102 PolarHBondContact O-N 2.57Å; A100-T103 PolarHBondContact O-N 2.04Å; A100-T103 PolarHBondContact O-OG1 3.49Å; A100-E104 PolarHBondContact O-N 3.03Å |
| 101 | A | 92.9 | Very high | 88.4 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 26% | 0.256 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L78 E97 C98 E99 E104 A105 | L78-A101 HydrophobicContact CD2-CB 3.73Å; E97-A101 WeakPolarHBondContact O-CB 3.44Å; E97-A101 PolarHBondContact O-N 3.05Å; E97-A101 VanDerWaalsContact O-N 3.15Å; C98-A101 PolarHBondContact O-N 2.84Å; E99-A101 VanDerWaalsContact C-N 3.34Å; E99-A101 PolarHBondContact O-N 3.42Å; A101-E104 PolarHBondContact O-N 3.34Å; A101-A105 VanDerWaalsContact O-CB 3.3Å; A101-A105 WeakPolarHBondContact O-CB 3.44Å; A101-A105 PolarHBondContact O-N 3.14Å |
| 102 | C | 92.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 171.5 | -76.4 | 0 | 0 | 0 | 0 | 112.4 | C98 E99 A100 E104 A105 Y106 C115 C119 | C98-C102 PolarHBondContact O-N 3Å; C98-C102 PolarHBondContact O-SG 3.19Å; E99-C102 WeakPolarHBondContact O-CB 3.07Å; E99-C102 PolarHBondContact O-N 3.28Å; E99-C102 VanDerWaalsContact O-N 3.12Å; A100-C102 VanDerWaalsContact C-N 3.32Å; A100-C102 PolarHBondContact O-N 2.57Å; C102-E104 VanDerWaalsContact C-N 3.32Å; C102-A105 PolarHBondContact O-N 3.23Å; C102-Y106 PolarHBondContact O-N 3.21Å; C102-C115 HydrophobicContact CB-CB 3.7Å; C102-C115 WeakPolarHBondContact CB-SG 3.46Å; C102-C115 WeakPolarHBondContact SG-CB 3.33Å; C102-C115 CovalentContact SG-SG 2.05Å; C102-C115 PolarHBondContact SG-SG 3.47Å; C102-C119 VanDerWaalsContact SG-SG 3.65Å |
| 103 | T | 92.5 | Very high | 90 | Very high | 64 Ų | 64 | 64.7 Ų | 64.7 | 39% | 0.393 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.1 | -31.5 | 177.9 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | E99 A100 Q112 | E99-T103 HydrophobicContact CG-CG2 4.39Å; E99-T103 WeakPolarHBondContact O-CG2 3.34Å; E99-T103 PolarHBondContact O-N 3.01Å; A100-T103 PolarHBondContact O-N 2.04Å; A100-T103 PolarHBondContact O-OG1 3.49Å; T103-Q112 HydrophobicContact CG2-CG 4.37Å |
| 104 | E | 93.2 | Very high | 90.5 | Very high | 164 Ų | 164 | 63.1 Ų | 63.1 | 77% | 0.766 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -75.8 | -36.9 | 174.7 | -68.9 | 176.9 | -177.1 | 0 | 0 | 112.6 | A100 A101 C102 | A100-E104 PolarHBondContact O-N 3.03Å; A101-E104 PolarHBondContact O-N 3.34Å; C102-E104 VanDerWaalsContact C-N 3.32Å |
| 105 | A | 92.4 | Very high | 91 | Very high | 72 Ų | 72 | 63.2 Ų | 63.2 | 60% | 0.595 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -78.8 | -27.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | A101 C102 | A101-A105 VanDerWaalsContact O-CB 3.3Å; A101-A105 WeakPolarHBondContact O-CB 3.44Å; A101-A105 PolarHBondContact O-N 3.14Å; C102-A105 PolarHBondContact O-N 3.23Å |
| 106 | Y | 91.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 10% | 0.098 | 35% | 0.354 | C | S | . | . | trans | -122.1 | 116.6 | -172 | -71.7 | -79.4 | 0 | 0 | 0 | 112.8 | A71 R74 C102 E111 C115 | A71-Y106 WeakPolarHBondContact CA-OH 3.48Å; A71-Y106 HydrophobicContact CB-CE1 4.03Å; A71-Y106 HydrophobicContact CB-CE2 4.46Å; R74-Y106 VanDerWaalsContact CD-OH 3.25Å; R74-Y106 WeakPolarHBondContact CD-OH 3.43Å; R74-Y106 PolarHBondContact NH1-OH 2.94Å; R74-Y106 VanDerWaalsContact NH1-OH 3.1Å; C102-Y106 PolarHBondContact O-N 3.21Å; Y106-E111 HydrophobicContact CD1-CB 3.45Å; Y106-E111 VanDerWaalsContact CD1-CB 3.45Å; Y106-E111 HydrophobicContact CD1-CG 4.42Å; Y106-E111 VanDerWaalsContact CD1-OE2 3.29Å; Y106-E111 WeakPolarHBondContact CD1-OE2 3.32Å; Y106-E111 HydrophobicContact CE1-CB 3.88Å; Y106-E111 HydrophobicContact CG-CB 4.11Å; Y106-C115 HydrophobicContact CD2-CB 3.85Å; Y106-C115 HydrophobicContact CE2-CB 3.78Å | ||
| 107 | V | 90.7 | Very high | 91.3 | Very high | 150 Ų | 150 | 62.7 Ų | 62.7 | 91% | 0.909 | 35% | 0.347 | S | S | * | . | trans | -79.8 | -28.4 | 176.7 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 108 | K | 91.7 | Very high | 91.4 | Very high | 126 Ų | 126 | 58.1 Ų | 58.1 | 55% | 0.548 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -84.4 | 124.5 | 179.1 | -68.1 | -177.5 | -159.9 | 155.8 | 0 | 110.5 | A110 E111 Q112 | K108-A110 PolarHBondContact O-N 3.4Å; K108-A110 VanDerWaalsContact O-N 3.11Å; K108-E111 HydrophobicContact CB-CB 4.4Å; K108-E111 HydrophobicContact CB-CG 4.27Å; K108-E111 HydrophobicContact CD-CG 4.45Å; K108-E111 WeakPolarHBondContact CD-OE1 3.38Å; K108-E111 IonicContact NZ-OE1 2.87Å; K108-E111 PolarHBondContact NZ-OE1 2.91Å; K108-E111 PolarHBondContact O-N 3.41Å; K108-E111 VanDerWaalsContact O-N 3.08Å; K108-Q112 WeakPolarHBondContact O-CB 3.24Å; K108-Q112 PolarHBondContact O-N 3.39Å |
| 109 | A | 88.7 | Confident | 91.3 | Very high | 65 Ų | 65 | 58.1 Ų | 58.1 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.2 | -32.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R113 | A109-R113 WeakPolarHBondContact O-CB 3.35Å; A109-R113 PolarHBondContact O-N 3.09Å |
| 110 | A | 88.1 | Confident | 91 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.1 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L68 K108 A114 | L68-A110 VanDerWaalsContact CD2-C 3.42Å; L68-A110 HydrophobicContact CD2-CB 3.85Å; L68-A110 VanDerWaalsContact CD2-O 3.25Å; L68-A110 WeakPolarHBondContact CD2-O 3.4Å; K108-A110 PolarHBondContact O-N 3.4Å; K108-A110 VanDerWaalsContact O-N 3.11Å; A110-A114 PolarHBondContact O-N 3.39Å; A110-A114 VanDerWaalsContact O-N 3.08Å |
| 111 | E | 89.6 | Confident | 90.1 | Very high | 31 Ų | 31 | 58.9 Ų | 58.9 | 15% | 0.145 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.1 | -37.4 | 178.8 | -62.1 | 176.5 | -164.8 | 0 | 0 | 111.2 | V67 L68 A71 Y106 K108 A114 C115 | V67-E111 HydrophobicContact CG1-CG 3.97Å; V67-E111 VanDerWaalsContact CG1-OE1 3.27Å; V67-E111 WeakPolarHBondContact CG1-OE1 3.18Å; L68-E111 HydrophobicContact CD2-CG 4.2Å; A71-E111 HydrophobicContact CB-CB 4.33Å; Y106-E111 HydrophobicContact CD1-CB 3.45Å; Y106-E111 VanDerWaalsContact CD1-CB 3.45Å; Y106-E111 HydrophobicContact CD1-CG 4.42Å; Y106-E111 VanDerWaalsContact CD1-OE2 3.29Å; Y106-E111 WeakPolarHBondContact CD1-OE2 3.32Å; Y106-E111 HydrophobicContact CE1-CB 3.88Å; Y106-E111 HydrophobicContact CG-CB 4.11Å; K108-E111 HydrophobicContact CB-CB 4.4Å; K108-E111 HydrophobicContact CB-CG 4.27Å; K108-E111 HydrophobicContact CD-CG 4.45Å; K108-E111 WeakPolarHBondContact CD-OE1 3.38Å; K108-E111 IonicContact NZ-OE1 2.87Å; K108-E111 PolarHBondContact NZ-OE1 2.91Å; K108-E111 PolarHBondContact O-N 3.41Å; K108-E111 VanDerWaalsContact O-N 3.08Å; E111-A114 PolarHBondContact O-N 3.42Å; E111-C115 WeakPolarHBondContact O-CB 3.27Å; E111-C115 PolarHBondContact O-N 3.2Å |
| 112 | Q | 93 | Very high | 88.9 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 29% | 0.29 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 173.9 | -177 | -175.2 | -4.2 | 0 | 0 | 111.5 | T103 K108 C115 S116 | T103-Q112 HydrophobicContact CG2-CG 4.37Å; K108-Q112 WeakPolarHBondContact O-CB 3.24Å; K108-Q112 PolarHBondContact O-N 3.39Å; Q112-C115 WeakPolarHBondContact O-CB 3.25Å; Q112-C115 PolarHBondContact O-N 3.46Å; Q112-S116 PolarHBondContact O-N 3.01Å; Q112-S116 PolarHBondContact O-OG 3.47Å |
| 113 | R | 90.6 | Very high | 87.6 | Confident | 159 Ų | 159 | 60.7 Ų | 60.7 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 175.7 | -175.4 | 179.8 | -66.8 | 137.4 | 0.5 | 111.8 | A109 C115 S116 E117 | A109-R113 WeakPolarHBondContact O-CB 3.35Å; A109-R113 PolarHBondContact O-N 3.09Å; R113-C115 VanDerWaalsContact C-N 3.31Å; R113-C115 PolarHBondContact O-N 3.44Å; R113-S116 PolarHBondContact O-N 3.21Å; R113-S116 PolarHBondContact O-OG 3.1Å; R113-E117 WeakPolarHBondContact O-CB 3.34Å; R113-E117 VanDerWaalsContact O-CG 3.28Å; R113-E117 WeakPolarHBondContact O-CG 3.5Å; R113-E117 PolarHBondContact O-N 2.81Å |
| 114 | A | 91.9 | Very high | 85.8 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L68 A71 C72 A110 E111 G118 | L68-A114 HydrophobicContact CB-CB 4.16Å; L68-A114 HydrophobicContact CD2-CB 4.07Å; L68-A114 WeakPolarHBondContact O-CB 3.18Å; A71-A114 HydrophobicContact CB-CB 4.15Å; C72-A114 WeakPolarHBondContact CA-O 3.42Å; C72-A114 WeakPolarHBondContact CB-O 3.24Å; A110-A114 PolarHBondContact O-N 3.39Å; A110-A114 VanDerWaalsContact O-N 3.08Å; E111-A114 PolarHBondContact O-N 3.42Å; A114-G118 PolarHBondContact O-N 2.97Å |
| 115 | C | 93 | Very high | 83.7 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 174.4 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | C102 Y106 E111 Q112 R113 E117 G118 C119 | C102-C115 HydrophobicContact CB-CB 3.7Å; C102-C115 WeakPolarHBondContact CB-SG 3.46Å; C102-C115 WeakPolarHBondContact SG-CB 3.33Å; C102-C115 CovalentContact SG-SG 2.05Å; C102-C115 PolarHBondContact SG-SG 3.47Å; Y106-C115 HydrophobicContact CD2-CB 3.85Å; Y106-C115 HydrophobicContact CE2-CB 3.78Å; E111-C115 WeakPolarHBondContact O-CB 3.27Å; E111-C115 PolarHBondContact O-N 3.2Å; Q112-C115 WeakPolarHBondContact O-CB 3.25Å; Q112-C115 PolarHBondContact O-N 3.46Å; R113-C115 VanDerWaalsContact C-N 3.31Å; R113-C115 PolarHBondContact O-N 3.44Å; C115-E117 PolarHBondContact O-N 2.58Å; C115-G118 WeakPolarHBondContact O-CA 3.42Å; C115-G118 PolarHBondContact O-N 3.2Å; C115-C119 PolarHBondContact O-N 2.9Å |
| 116 | S | 91.4 | Very high | 81.3 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 179.2 | 64 | 0 | 0 | 0 | 0 | 111.4 | Q112 R113 G118 C119 W120 | Q112-S116 PolarHBondContact O-N 3.01Å; Q112-S116 PolarHBondContact O-OG 3.47Å; R113-S116 PolarHBondContact O-N 3.21Å; R113-S116 PolarHBondContact O-OG 3.1Å; S116-G118 PolarHBondContact O-N 3.24Å; S116-C119 WeakPolarHBondContact O-CA 3.3Å; S116-C119 WeakPolarHBondContact O-CB 3.45Å; S116-C119 PolarHBondContact O-N 3.3Å; S116-W120 PolarHBondContact O-N 3.31Å |
| 117 | E | 89.4 | Confident | 78.8 | Confident | 71 Ų | 71 | 69 Ų | 69 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -54.5 | -36.6 | 171.4 | -74.6 | 174.8 | -163.8 | 0 | 0 | 112.9 | R113 C115 C119 W120 G121 | R113-E117 WeakPolarHBondContact O-CB 3.34Å; R113-E117 VanDerWaalsContact O-CG 3.28Å; R113-E117 WeakPolarHBondContact O-CG 3.5Å; R113-E117 PolarHBondContact O-N 2.81Å; C115-E117 PolarHBondContact O-N 2.58Å; E117-C119 VanDerWaalsContact C-N 3.33Å; E117-W120 PolarHBondContact O-N 3.49Å; E117-G121 PolarHBondContact O-N 3.29Å |
| 118 | G | 90.5 | Very high | 76.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.7 | -34.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C37 C76 A114 C115 S116 G121 | C37-G118 PolarHBondContact SG-O 2.73Å; C76-G118 WeakPolarHBondContact CA-O 3.11Å; A114-G118 PolarHBondContact O-N 2.97Å; C115-G118 WeakPolarHBondContact O-CA 3.42Å; C115-G118 PolarHBondContact O-N 3.2Å; S116-G118 PolarHBondContact O-N 3.24Å; G118-G121 PolarHBondContact O-N 2.72Å |
| 119 | C | 90.6 | Very high | 74 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65 | -45.5 | 174.6 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | F79 C98 C102 C115 S116 E117 G121 | F79-C119 HydrophobicContact CD2-CB 4.39Å; F79-C119 WeakPolarHBondContact CD2-O 3.38Å; C98-C119 VanDerWaalsContact C-SG 3.54Å; C98-C119 HydrophobicContact CB-CB 3.73Å; C98-C119 WeakPolarHBondContact CB-SG 3.3Å; C98-C119 WeakPolarHBondContact SG-CB 3.38Å; C98-C119 CovalentContact SG-SG 2.04Å; C98-C119 PolarHBondContact SG-SG 3.05Å; C102-C119 VanDerWaalsContact SG-SG 3.65Å; C115-C119 PolarHBondContact O-N 2.9Å; S116-C119 WeakPolarHBondContact O-CA 3.3Å; S116-C119 WeakPolarHBondContact O-CB 3.45Å; S116-C119 PolarHBondContact O-N 3.3Å; E117-C119 VanDerWaalsContact C-N 3.33Å; C119-G121 PolarHBondContact O-N 3.23Å |
| 120 | W | 84.8 | Confident | 71.7 | Confident | 128 Ų | 128 | 73.3 Ų | 73.3 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.8 | -26 | 178.6 | -67 | 99.8 | 0 | 0 | 0 | 113.4 | E95 S116 E117 Q122 T123 | E95-W120 HydrophobicContact CG-CD2 4.22Å; E95-W120 HydrophobicContact CG-CE3 4.31Å; E95-W120 HydrophobicContact CG-CH2 4.45Å; E95-W120 HydrophobicContact CG-CZ2 4.31Å; E95-W120 HydrophobicContact CG-CZ3 4.44Å; E95-W120 WeakPolarHBondContact OE1-CH2 3.33Å; E95-W120 WeakPolarHBondContact OE1-CZ2 3.22Å; E95-W120 WeakPolarHBondContact OE1-CZ3 3.34Å; E95-W120 WeakPolarHBondContact OE2-CZ3 3.21Å; S116-W120 PolarHBondContact O-N 3.31Å; E117-W120 PolarHBondContact O-N 3.49Å; W120-Q122 PolarHBondContact O-N 2.92Å; W120-T123 PolarHBondContact O-N 2.95Å |
| 121 | G | 73.9 | Confident | 69.3 | Low | 8 Ų | 8 | 77.3 Ų | 77.3 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R40 E117 G118 C119 | R40-G121 PolarHBondContact NH1-O 3.41Å; R40-G121 PolarHBondContact NH2-O 3.15Å; E117-G121 PolarHBondContact O-N 3.29Å; G118-G121 PolarHBondContact O-N 2.72Å; C119-G121 PolarHBondContact O-N 3.23Å |
| 122 | Q | 66.1 | Low | 66.9 | Low | 41 Ų | 41 | 84.9 Ų | 84.9 | 19% | 0.192 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -8.3 | -175.8 | -67.5 | -77.5 | 71.4 | 0 | 0 | 112.7 | C37 F79 S80 W120 P124 | C37-Q122 HydrophobicContact CB-CG 3.91Å; C37-Q122 VanDerWaalsContact CB-OE1 3.3Å; F79-Q122 HydrophobicContact CB-CB 4.49Å; F79-Q122 HydrophobicContact CB-CG 4.5Å; F79-Q122 HydrophobicContact CD1-CB 3.16Å; F79-Q122 HydrophobicContact CD1-CG 3.88Å; F79-Q122 HydrophobicContact CE1-CB 3.37Å; F79-Q122 HydrophobicContact CG-CB 3.94Å; F79-Q122 HydrophobicContact CG-CG 4.45Å; F79-Q122 HydrophobicContact CZ-CB 4.3Å; S80-Q122 PolarHBondContact OG-NE2 3.47Å; W120-Q122 PolarHBondContact O-N 2.92Å; Q122-P124 WeakPolarHBondContact O-CD 3.34Å |
| 123 | T | 65.8 | Low | 64.2 | Low | 30 Ų | 30 | 91.2 Ų | 91.2 | 18% | 0.184 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -66.5 | 120.1 | 172.2 | -55 | 0 | 0 | 0 | 0 | 107.5 | E95 W120 E125 | E95-T123 PolarHBondContact OE2-OG1 3.27Å; W120-T123 PolarHBondContact O-N 2.95Å; T123-E125 PolarHBondContact O-N 2.99Å |
| 124 | P | 55.7 | Low | 61.7 | Low | 96 Ų | 96 | 88.5 Ų | 88.5 | 62% | 0.623 | 45% | 0.447 | S | S | * | . | trans | -57.3 | 114.3 | 164 | 24.3 | -28.7 | 0 | 0 | 0 | 104.8 | Q122 | Q122-P124 WeakPolarHBondContact O-CD 3.34Š| ||
| 125 | E | 48.2 | Very low | 59 | Low | 162 Ų | 162 | 92.7 Ų | 92.7 | 76% | 0.757 | 48% | 0.482 | S | S | * | . | trans | -46.6 | 132.7 | 166.4 | -103.5 | -155.8 | 106.8 | 0 | 0 | 106.1 | T123 E127 | T123-E125 PolarHBondContact O-N 2.99Å; E125-E127 PolarHBondContact O-N 3.44Å | ||
| 126 | P | 43.4 | Very low | 56.7 | Low | 98 Ų | 98 | 100.6 Ų | 100.6 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | trans | -58.7 | 103.7 | 164.2 | 25.4 | -29.7 | 0 | 0 | 0 | 105 | T128 | P126-T128 PolarHBondContact O-N 2.95Š| ||
| 127 | E | 37.8 | Very low | 54.2 | Low | 142 Ų | 142 | 107.3 Ų | 107.3 | 66% | 0.664 | 55% | 0.553 | S | S | * | * | trans | -66.2 | 47.5 | 170 | -72.4 | 175.7 | 153.2 | 0 | 0 | 109.6 | E125 | E125-E127 PolarHBondContact O-N 3.44Š| ||
| 128 | T | 41.2 | Very low | 51.7 | Low | 106 Ų | 106 | 109.2 Ų | 109.2 | 65% | 0.65 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -105.9 | 96.4 | 173.1 | -28.7 | 0 | 0 | 0 | 0 | 104.8 | P126 | P126-T128 PolarHBondContact O-N 2.95Š|
| 129 | Q | 41 | Very low | 49.5 | Very low | 180 Ų | 180 | 114.5 Ų | 114.5 | 84% | 0.841 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 108.8 | 2.8 | 160.5 | -52.3 | -168.4 | 71.1 | 0 | 0 | 119.8 | ||
| 130 | L | 39.4 | Very low | 47.2 | Very low | 147 Ų | 147 | 119.5 Ų | 119.5 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -116.2 | 12.2 | 169.7 | -148.4 | 81.7 | 0 | 0 | 0 | 115.1 | ||
| 131 | E | 38.1 | Very low | 45.5 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -92.8 | -11.9 | 168.5 | -98.8 | -159.5 | 98.7 | 0 | 0 | 113.5 | K133 | E131-K133 VanDerWaalsContact C-N 3.33Å; E131-K133 PolarHBondContact O-N 2.85Å |
| 132 | Q | 38.6 | Very low | 44.7 | Very low | 190 Ų | 190 | 121.6 Ų | 121.6 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -6.1 | -175.9 | -154.3 | 166.7 | 48.7 | 0 | 0 | 114.3 | ||
| 133 | K | 37.5 | Very low | 43.9 | Very low | 195 Ų | 195 | 125.6 Ų | 125.6 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -0.8 | -179.4 | -158.2 | 173.9 | 174.4 | -176.7 | 0 | 115.1 | E131 | E131-K133 VanDerWaalsContact C-N 3.33Å; E131-K133 PolarHBondContact O-N 2.85Å |
| 134 | T | 36.7 | Very low | 43.6 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | trans | -117.2 | 32.3 | 179.4 | -39 | 0 | 0 | 0 | 0 | 112 | L136 | T134-L136 PolarHBondContact O-N 2.99Å; T134-L136 VanDerWaalsContact O-N 3.14Å | ||
| 135 | A | 36.1 | Very low | 43.8 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | trans | -80.5 | 30.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 136 | L | 45.2 | Very low | 44.7 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 89% | 0.89 | 72% | 0.721 | S | S | * | * | trans | -146.5 | 61.9 | 173.1 | -157 | 76.5 | 0 | 0 | 0 | 111.2 | T134 | T134-L136 PolarHBondContact O-N 2.99Å; T134-L136 VanDerWaalsContact O-N 3.14Å | ||
| 137 | E | 39.1 | Very low | 45.9 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -129.4 | 122 | 150.9 | -162.5 | -157.3 | 124 | 0 | 0 | 107.7 | P139 | E137-P139 WeakPolarHBondContact O-CD 3.15Š| ||
| 138 | P | 36.7 | Very low | 47.4 | Very low | 110 Ų | 110 | 126.3 Ų | 126.3 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 121.5 | -179.3 | 27.7 | -32.2 | 0 | 0 | 0 | 110.3 | S140 | P138-S140 PolarHBondContact O-N 3.2Š|
| 139 | P | 42.9 | Very low | 49 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.5 | 171.4 | 4.9 | 8.3 | 0 | 0 | 0 | 109 | E137 G141 | E137-P139 WeakPolarHBondContact O-CD 3.15Å; P139-G141 PolarHBondContact O-N 2.78Å |
| 140 | S | 44.1 | Very low | 50.2 | Low | 106 Ų | 106 | 120.5 Ų | 120.5 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 125.5 | 177.6 | -46.8 | 0 | 0 | 0 | 0 | 111.5 | P138 S142 | P138-S140 PolarHBondContact O-N 3.2Å; S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 3.05Å |
| 141 | G | 48.6 | Very low | 51.8 | Low | 81 Ų | 81 | 116.8 Ų | 116.8 | 84% | 0.835 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 45.3 | -159 | 0 | 0 | 0 | 0 | 0 | 118.7 | P139 | P139-G141 PolarHBondContact O-N 2.78Š|
| 142 | S | 57.4 | Low | 53.4 | Low | 98 Ų | 98 | 115.3 Ų | 115.3 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -20.5 | 171.7 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | S140 | S140-S142 VanDerWaalsContact C-N 3.26Å; S140-S142 PolarHBondContact O-N 3.05Å |
| 143 | L | 48.3 | Very low | 54.9 | Low | 126 Ų | 126 | 108.8 Ų | 108.8 | 66% | 0.66 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -90.2 | -17.9 | 176.7 | -66 | 173.7 | 0 | 0 | 0 | 113.5 | L145 E147 | L143-L145 PolarHBondContact O-N 3.31Å; L143-E147 WeakPolarHBondContact O-CG 3.49Å; L143-E147 PolarHBondContact O-N 3.02Å |
| 144 | S | 59.9 | Low | 56.5 | Low | 71 Ų | 71 | 103.1 Ų | 103.1 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.9 | -32.4 | -177.2 | 174.3 | 0 | 0 | 0 | 0 | 113.7 | L148 | S144-L148 WeakPolarHBondContact O-CD1 3.34Å; S144-L148 PolarHBondContact O-N 3.06Å |
| 145 | L | 59.9 | Low | 58 | Low | 138 Ų | 138 | 103 Ų | 103 | 72% | 0.723 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -78 | -32.4 | -175 | -142.2 | 150.6 | 0 | 0 | 0 | 111.8 | L143 F149 | L143-L145 PolarHBondContact O-N 3.31Å; L145-F149 WeakPolarHBondContact O-CB 3.5Å; L145-F149 PolarHBondContact O-N 2.91Å |
| 146 | L | 67.4 | Low | 59.7 | Low | 117 Ų | 117 | 104.4 Ų | 104.4 | 61% | 0.613 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.4 | -37.2 | 174.4 | -169.1 | 69.3 | 0 | 0 | 0 | 111.4 | F149 S150 | L146-F149 PolarHBondContact O-N 2.82Å; L146-S150 WeakPolarHBondContact O-CB 3.43Å; L146-S150 PolarHBondContact O-N 3.4Å; L146-S150 PolarHBondContact O-OG 2.71Å |
| 147 | E | 68.6 | Low | 60.8 | Low | 119 Ų | 119 | 102.4 Ų | 102.4 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.6 | -36.8 | 173.5 | -71.9 | -61 | 142.5 | 0 | 0 | 112.4 | L143 F149 S150 T151 | L143-E147 WeakPolarHBondContact O-CG 3.49Å; L143-E147 PolarHBondContact O-N 3.02Å; E147-F149 VanDerWaalsContact C-N 3.33Å; E147-S150 WeakPolarHBondContact CA-OG 3.35Å; E147-S150 PolarHBondContact O-OG 3.5Å; E147-T151 WeakPolarHBondContact O-CB 3.48Å; E147-T151 WeakPolarHBondContact O-CG2 3.49Å; E147-T151 PolarHBondContact O-N 3.21Å; E147-T151 PolarHBondContact O-OG1 3.25Å |
| 148 | L | 69.4 | Low | 61.9 | Low | 98 Ų | 98 | 98.2 Ų | 98.2 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.3 | -39.7 | 168.9 | -99.2 | 90.5 | 0 | 0 | 0 | 111.5 | S144 T151 L152 | S144-L148 WeakPolarHBondContact O-CD1 3.34Å; S144-L148 PolarHBondContact O-N 3.06Å; L148-T151 VanDerWaalsContact CA-OG1 3.31Å; L148-T151 WeakPolarHBondContact CA-OG1 3.49Å; L148-T151 PolarHBondContact O-OG1 2.78Å; L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 WeakPolarHBondContact O-CD1 3.42Å; L148-L152 WeakPolarHBondContact O-CG 3.5Å; L148-L152 PolarHBondContact O-N 3.1Å |
| 149 | F | 73.8 | Confident | 62.9 | Low | 112 Ų | 112 | 96.1 Ų | 96.1 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.6 | -39.9 | 178.3 | -174.1 | -100.9 | 0 | 0 | 0 | 111.8 | L145 L146 E147 L152 C153 | L145-F149 WeakPolarHBondContact O-CB 3.5Å; L145-F149 PolarHBondContact O-N 2.91Å; L146-F149 PolarHBondContact O-N 2.82Å; E147-F149 VanDerWaalsContact C-N 3.33Å; F149-L152 PolarHBondContact O-N 3.14Å; F149-C153 WeakPolarHBondContact CE1-SG 3.34Å; F149-C153 WeakPolarHBondContact CZ-SG 3.44Å; F149-C153 VanDerWaalsContact O-CB 3.29Å; F149-C153 WeakPolarHBondContact O-CB 3.39Å; F149-C153 PolarHBondContact O-N 3.2Å; F149-C153 PolarHBondContact O-SG 3.47Å |
| 150 | S | 67.1 | Low | 63.5 | Low | 51 Ų | 51 | 92.1 Ų | 92.1 | 36% | 0.357 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.5 | 68.4 | 0 | 0 | 0 | 0 | 111.4 | L146 E147 C153 S154 | L146-S150 WeakPolarHBondContact O-CB 3.43Å; L146-S150 PolarHBondContact O-N 3.4Å; L146-S150 PolarHBondContact O-OG 2.71Å; E147-S150 WeakPolarHBondContact CA-OG 3.35Å; E147-S150 PolarHBondContact O-OG 3.5Å; S150-C153 PolarHBondContact O-N 3.42Å; S150-S154 VanDerWaalsContact O-CB 3.29Å; S150-S154 WeakPolarHBondContact O-CB 3.29Å; S150-S154 PolarHBondContact O-N 3.21Å |
| 151 | T | 73 | Confident | 63.9 | Low | 69 Ų | 69 | 94.8 Ų | 94.8 | 42% | 0.423 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 174.5 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | E147 L148 C153 S154 D155 | E147-T151 WeakPolarHBondContact O-CB 3.48Å; E147-T151 WeakPolarHBondContact O-CG2 3.49Å; E147-T151 PolarHBondContact O-N 3.21Å; E147-T151 PolarHBondContact O-OG1 3.25Å; L148-T151 VanDerWaalsContact CA-OG1 3.31Å; L148-T151 WeakPolarHBondContact CA-OG1 3.49Å; L148-T151 PolarHBondContact O-OG1 2.78Å; T151-C153 VanDerWaalsContact C-N 3.34Å; T151-C153 PolarHBondContact O-N 3.35Å; T151-S154 PolarHBondContact O-N 3.28Å; T151-D155 WeakPolarHBondContact O-CB 3.42Å; T151-D155 VanDerWaalsContact O-CG 3.23Å; T151-D155 PolarHBondContact O-N 3.32Å |
| 152 | L | 71.9 | Confident | 64.2 | Low | 109 Ų | 109 | 93.8 Ų | 93.8 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.6 | -37.8 | 175.2 | -70.3 | 171 | 0 | 0 | 0 | 112.9 | L148 F149 L156 | L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 WeakPolarHBondContact O-CD1 3.42Å; L148-L152 WeakPolarHBondContact O-CG 3.5Å; L148-L152 PolarHBondContact O-N 3.1Å; F149-L152 PolarHBondContact O-N 3.14Å; L152-L156 WeakPolarHBondContact O-CB 3.43Å; L152-L156 PolarHBondContact O-N 3.42Å |
| 153 | C | 69.9 | Low | 63.6 | Low | 52 Ų | 52 | 96.4 Ų | 96.4 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.5 | -38.1 | 175.1 | -76.6 | 0 | 0 | 0 | 0 | 112.1 | F149 S150 T151 M157 | F149-C153 WeakPolarHBondContact CE1-SG 3.34Å; F149-C153 WeakPolarHBondContact CZ-SG 3.44Å; F149-C153 VanDerWaalsContact O-CB 3.29Å; F149-C153 WeakPolarHBondContact O-CB 3.39Å; F149-C153 PolarHBondContact O-N 3.2Å; F149-C153 PolarHBondContact O-SG 3.47Å; S150-C153 PolarHBondContact O-N 3.42Å; T151-C153 VanDerWaalsContact C-N 3.34Å; T151-C153 PolarHBondContact O-N 3.35Å; C153-M157 WeakPolarHBondContact O-CB 3.35Å; C153-M157 PolarHBondContact O-N 2.97Å |
| 154 | S | 71.6 | Confident | 63.3 | Low | 76 Ų | 76 | 96.7 Ų | 96.7 | 53% | 0.531 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | S150 T151 M157 S158 | S150-S154 VanDerWaalsContact O-CB 3.29Å; S150-S154 WeakPolarHBondContact O-CB 3.29Å; S150-S154 PolarHBondContact O-N 3.21Å; T151-S154 PolarHBondContact O-N 3.28Å; S154-M157 PolarHBondContact O-N 3.46Å; S154-S158 WeakPolarHBondContact O-CB 3.31Å; S154-S158 PolarHBondContact O-N 3.36Å |
| 155 | D | 67.3 | Low | 62.8 | Low | 99 Ų | 99 | 97 Ų | 97 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 178.8 | -68 | -18.9 | 0 | 0 | 0 | 112 | T151 S158 S159 | T151-D155 WeakPolarHBondContact O-CB 3.42Å; T151-D155 VanDerWaalsContact O-CG 3.23Å; T151-D155 PolarHBondContact O-N 3.32Å; D155-S158 PolarHBondContact O-OG 3.47Å; D155-S159 WeakPolarHBondContact O-CB 3.14Å; D155-S159 PolarHBondContact O-N 3.38Å |
| 156 | L | 70.9 | Confident | 62.1 | Low | 122 Ų | 122 | 94.5 Ų | 94.5 | 64% | 0.639 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.8 | -37.2 | 172.9 | -175.7 | 64 | 0 | 0 | 0 | 111.2 | L152 S159 A160 | L152-L156 WeakPolarHBondContact O-CB 3.43Å; L152-L156 PolarHBondContact O-N 3.42Å; L156-S159 PolarHBondContact O-N 2.83Å; L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 3.21Å |
| 157 | M | 68.8 | Low | 61.3 | Low | 129 Ų | 129 | 92 Ų | 92 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -73 | -37.7 | 177.8 | -169.3 | 86.9 | -59.5 | 0 | 0 | 112.1 | C153 S154 S159 A160 Q161 | C153-M157 WeakPolarHBondContact O-CB 3.35Å; C153-M157 PolarHBondContact O-N 2.97Å; S154-M157 PolarHBondContact O-N 3.46Å; M157-S159 VanDerWaalsContact C-N 3.34Å; M157-A160 HydrophobicContact CE-CB 3.79Å; M157-A160 PolarHBondContact O-N 2.98Å; M157-Q161 PolarHBondContact O-N 3.31Å |
| 158 | S | 63.1 | Low | 60.4 | Low | 68 Ų | 68 | 94.3 Ų | 94.3 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.8 | -33.9 | 173.3 | 92.6 | 0 | 0 | 0 | 0 | 111.5 | S154 D155 Q161 | S154-S158 WeakPolarHBondContact O-CB 3.31Å; S154-S158 PolarHBondContact O-N 3.36Å; D155-S158 PolarHBondContact O-OG 3.47Å; S158-Q161 WeakPolarHBondContact O-CB 3.19Å; S158-Q161 PolarHBondContact O-N 3.07Å |
| 159 | S | 57.7 | Low | 59.6 | Low | 66 Ų | 66 | 93.7 Ų | 93.7 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 171.5 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | D155 L156 M157 Q161 G162 | D155-S159 WeakPolarHBondContact O-CB 3.14Å; D155-S159 PolarHBondContact O-N 3.38Å; L156-S159 PolarHBondContact O-N 2.83Å; M157-S159 VanDerWaalsContact C-N 3.34Å; S159-Q161 PolarHBondContact O-N 3.5Å; S159-G162 PolarHBondContact O-N 3.4Å; S159-G162 VanDerWaalsContact O-N 3.08Å |
| 160 | A | 54 | Low | 58.7 | Low | 27 Ų | 27 | 95.1 Ų | 95.1 | 22% | 0.223 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -69.2 | -19.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L156 M157 G162 F163 V164 | L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 3.21Å; M157-A160 HydrophobicContact CE-CB 3.79Å; M157-A160 PolarHBondContact O-N 2.98Å; A160-G162 PolarHBondContact O-N 3.03Å; A160-F163 PolarHBondContact O-N 3.15Å; A160-V164 PolarHBondContact O-N 3.35Å |
| 161 | Q | 53.1 | Low | 57.9 | Low | 163 Ų | 163 | 96.3 Ų | 96.3 | 76% | 0.762 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27 | 169.6 | -128.8 | 179.2 | 9.9 | 0 | 0 | 111.8 | M157 S158 S159 | M157-Q161 PolarHBondContact O-N 3.31Å; S158-Q161 WeakPolarHBondContact O-CB 3.19Å; S158-Q161 PolarHBondContact O-N 3.07Å; S159-Q161 PolarHBondContact O-N 3.5Å |
| 162 | G | 54.9 | Low | 57.2 | Low | 59 Ų | 59 | 97.4 Ų | 97.4 | 61% | 0.608 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S159 A160 | S159-G162 PolarHBondContact O-N 3.4Å; S159-G162 VanDerWaalsContact O-N 3.08Å; A160-G162 PolarHBondContact O-N 3.03Å |
| 163 | F | 44.8 | Very low | 56.3 | Low | 154 Ų | 154 | 99.3 Ų | 99.3 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -12.1 | -178.3 | -83.3 | -83.4 | 0 | 0 | 0 | 114.7 | A160 S165 S166 | A160-F163 PolarHBondContact O-N 3.15Å; F163-S165 PolarHBondContact O-N 3.07Å; F163-S166 PolarHBondContact O-N 2.9Å; F163-S166 PolarHBondContact O-OG 3.3Å |
| 164 | V | 43 | Very low | 55.8 | Low | 132 Ų | 132 | 101 Ų | 101 | 80% | 0.8 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -71.5 | -9.5 | 170 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | A160 S166 | A160-V164 PolarHBondContact O-N 3.35Å; V164-S166 PolarHBondContact O-N 3.13Å; V164-S166 VanDerWaalsContact O-N 3.15Å |
| 165 | S | 47.9 | Very low | 55.2 | Low | 77 Ų | 77 | 105.3 Ų | 105.3 | 54% | 0.538 | 58% | 0.581 | S | S | . | * | trans | -84.7 | 48.5 | 162.3 | -164.4 | 0 | 0 | 0 | 0 | 111.5 | F163 T167 | F163-S165 PolarHBondContact O-N 3.07Å; S165-T167 PolarHBondContact O-N 2.86Å | ||
| 166 | S | 45.8 | Very low | 54.9 | Low | 86 Ų | 86 | 107.1 Ų | 107.1 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | trans | -74.8 | 83.9 | 169.7 | -70 | 0 | 0 | 0 | 0 | 108.2 | F163 V164 W168 | F163-S166 PolarHBondContact O-N 2.9Å; F163-S166 PolarHBondContact O-OG 3.3Å; V164-S166 PolarHBondContact O-N 3.13Å; V164-S166 VanDerWaalsContact O-N 3.15Å; S166-W168 VanDerWaalsContact C-N 3.27Å; S166-W168 PolarHBondContact O-N 3.38Å | ||
| 167 | T | 50.6 | Low | 54.1 | Low | 63 Ų | 63 | 113.1 Ų | 113.1 | 39% | 0.387 | 60% | 0.604 | S | S | . | * | trans | -69.3 | 90.8 | 167.1 | -56.8 | 0 | 0 | 0 | 0 | 107 | S165 T169 Q183 | S165-T167 PolarHBondContact O-N 2.86Å; T167-T169 HydrophobicContact CG2-CG2 4.34Å; T167-Q183 HydrophobicContact CG2-CG 3.93Å | ||
| 168 | W | 49.6 | Very low | 53.3 | Low | 168 Ų | 168 | 114.1 Ų | 114.1 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | trans | -75.4 | 129.9 | 172.9 | 64.4 | -75.3 | 0 | 0 | 0 | 108 | S166 T184 | S166-W168 VanDerWaalsContact C-N 3.27Å; S166-W168 PolarHBondContact O-N 3.38Å; W168-T184 HydrophobicContact CZ2-CG2 3.97Å | ||
| 169 | T | 53.8 | Low | 52.9 | Low | 85 Ų | 85 | 114.8 Ų | 114.8 | 52% | 0.521 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.5 | 173.8 | 44.2 | 0 | 0 | 0 | 0 | 107.2 | T167 V181 Q183 | T167-T169 HydrophobicContact CG2-CG2 4.34Å; T169-V181 HydrophobicContact CG2-CG1 4.37Å; T169-Q183 HydrophobicContact CG2-CB 4.49Å; T169-Q183 HydrophobicContact CG2-CG 4.41Å |
| 170 | Y | 53.5 | Low | 52.7 | Low | 142 Ų | 142 | 114.5 Ų | 114.5 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.7 | 173.3 | -172.1 | -115.1 | 0 | 0 | 0 | 108.4 | L172 | Y170-L172 HydrophobicContact CD1-CD1 3.88Å; Y170-L172 HydrophobicContact CD1-CD2 4.39Å; Y170-L172 HydrophobicContact CD1-CG 3.71Å; Y170-L172 HydrophobicContact CE1-CD1 3.73Å; Y170-L172 HydrophobicContact CE1-CD2 3.51Å; Y170-L172 HydrophobicContact CE1-CG 3.31Å |
| 171 | S | 50.2 | Low | 52.7 | Low | 77 Ų | 77 | 117.7 Ų | 117.7 | 54% | 0.538 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.6 | 111.1 | 176.2 | 45.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 172 | L | 59.7 | Low | 52.9 | Low | 91 Ų | 91 | 116.2 Ų | 116.2 | 48% | 0.476 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 111.2 | 169.1 | -80.7 | 153.9 | 0 | 0 | 0 | 108.2 | Y170 T174 | Y170-L172 HydrophobicContact CD1-CD1 3.88Å; Y170-L172 HydrophobicContact CD1-CD2 4.39Å; Y170-L172 HydrophobicContact CD1-CG 3.71Å; Y170-L172 HydrophobicContact CE1-CD1 3.73Å; Y170-L172 HydrophobicContact CE1-CD2 3.51Å; Y170-L172 HydrophobicContact CE1-CG 3.31Å; L172-T174 PolarHBondContact O-N 3.13Å |
| 173 | Q | 51.3 | Low | 52.5 | Low | 150 Ų | 150 | 119.5 Ų | 119.5 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.9 | 101.3 | 171 | -164.3 | 169.5 | 13.9 | 0 | 0 | 107.8 | ||
| 174 | T | 60.5 | Low | 53.2 | Low | 87 Ų | 87 | 115.1 Ų | 115.1 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 152.7 | 168.1 | 32 | 0 | 0 | 0 | 0 | 109.2 | L172 N176 | L172-T174 PolarHBondContact O-N 3.13Å; T174-N176 PolarHBondContact O-N 3.32Å |
| 175 | D | 58.3 | Low | 53.1 | Low | 167 Ų | 167 | 116.1 Ų | 116.1 | 89% | 0.893 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -2.7 | -169.4 | -61.6 | -44.9 | 0 | 0 | 0 | 116 | ||
| 176 | N | 61.2 | Low | 52.8 | Low | 137 Ų | 137 | 117 Ų | 117 | 73% | 0.733 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 45.3 | -175.5 | -53.7 | -4.8 | 0 | 0 | 0 | 112 | T174 K178 | T174-N176 PolarHBondContact O-N 3.32Å; N176-K178 PolarHBondContact O-N 2.92Å |
| 177 | R | 54.3 | Low | 52.5 | Low | 247 Ų | 247 | 118.6 Ų | 118.6 | 93% | 0.932 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.1 | 20.3 | 170.3 | -94.5 | -170.4 | -171.3 | 172.3 | 3.8 | 117.2 | ||
| 178 | K | 51.5 | Low | 52.5 | Low | 151 Ų | 151 | 121.7 Ų | 121.7 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.5 | 108.8 | -178.5 | -167 | 177.8 | -178.9 | -175.9 | 0 | 108.3 | N176 | N176-K178 PolarHBondContact O-N 2.92Å |
| 179 | V | 55 | Low | 52.1 | Low | 81 Ų | 81 | 120.7 Ų | 120.7 | 49% | 0.491 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.6 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 107.6 | V181 | V179-V181 HydrophobicContact CG1-CG2 4.01Å |
| 180 | V | 54.2 | Low | 51.3 | Low | 61 Ų | 61 | 121.7 Ų | 121.7 | 37% | 0.37 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 119 | 170.1 | -173.5 | 0 | 0 | 0 | 0 | 107.1 | F182 | V180-F182 HydrophobicContact CB-CE2 4.1Å; V180-F182 HydrophobicContact CB-CZ 4.47Å; V180-F182 HydrophobicContact CG1-CD2 4.2Å; V180-F182 HydrophobicContact CG1-CE1 4.19Å; V180-F182 HydrophobicContact CG1-CE2 3.57Å; V180-F182 HydrophobicContact CG1-CZ 3.57Å |
| 181 | V | 54 | Low | 50.5 | Low | 93 Ų | 93 | 123.8 Ų | 123.8 | 56% | 0.564 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 117 | 177.9 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | T169 V179 | T169-V181 HydrophobicContact CG2-CG1 4.37Å; V179-V181 HydrophobicContact CG1-CG2 4.01Å |
| 182 | F | 56.7 | Low | 49.7 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 58% | 0.579 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.7 | 171.7 | -64.5 | -84.8 | 0 | 0 | 0 | 108.4 | V180 | V180-F182 HydrophobicContact CB-CE2 4.1Å; V180-F182 HydrophobicContact CB-CZ 4.47Å; V180-F182 HydrophobicContact CG1-CD2 4.2Å; V180-F182 HydrophobicContact CG1-CE1 4.19Å; V180-F182 HydrophobicContact CG1-CE2 3.57Å; V180-F182 HydrophobicContact CG1-CZ 3.57Å |
| 183 | Q | 47 | Very low | 48.7 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 60% | 0.598 | 67% | 0.674 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.5 | 179.5 | -172 | -179 | 33.7 | 0 | 0 | 108.7 | T167 T169 | T167-Q183 HydrophobicContact CG2-CG 3.93Å; T169-Q183 HydrophobicContact CG2-CB 4.49Å; T169-Q183 HydrophobicContact CG2-CG 4.41Å |
| 184 | T | 59.7 | Low | 48 | Very low | 63 Ų | 63 | 131.6 Ų | 131.6 | 39% | 0.387 | 68% | 0.682 | S | S | . | * | trans | -85.9 | 119.4 | 173.7 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | W168 | W168-T184 HydrophobicContact CZ2-CG2 3.97Š| ||
| 185 | Q | 40.4 | Very low | 46.8 | Very low | 152 Ų | 152 | 130 Ų | 130 | 71% | 0.71 | 68% | 0.682 | S | S | * | * | trans | -93.8 | 133 | 169.9 | -73.3 | -175 | 10.1 | 0 | 0 | 110.3 | V187 | Q185-V187 PolarHBondContact O-N 3.16Š| ||
| 186 | P | 42.6 | Very low | 45.9 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | trans | -77.8 | 109.5 | 171.5 | 30.3 | -30.6 | 0 | 0 | 0 | 109.6 | V188 | P186-V188 PolarHBondContact O-N 2.89Š| ||
| 187 | V | 39.4 | Very low | 44.5 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 72% | 0.721 | 69% | 0.685 | S | S | * | * | trans | -85.5 | 106.7 | 164.7 | 172.9 | 0 | 0 | 0 | 0 | 107.3 | Q185 E189 | Q185-V187 PolarHBondContact O-N 3.16Å; V187-E189 HydrophobicContact CG1-CG 4.14Å; V187-E189 PolarHBondContact O-N 3.13Å | ||
| 188 | V | 48.9 | Very low | 43.6 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | trans | -85.8 | 98.3 | 168.9 | -176 | 0 | 0 | 0 | 0 | 107 | P186 S190 | P186-V188 PolarHBondContact O-N 2.89Å; V188-S190 PolarHBondContact O-N 3.14Å | ||
| 189 | E | 42.6 | Very low | 42.6 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | trans | -69 | 111.1 | 166 | -75.4 | -175.6 | 155.2 | 0 | 0 | 108.1 | V187 F191 | V187-E189 HydrophobicContact CG1-CG 4.14Å; V187-E189 PolarHBondContact O-N 3.13Å; E189-F191 PolarHBondContact O-N 3.36Å | ||
| 190 | S | 36.3 | Very low | 41.6 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -73.1 | 110 | 172.2 | 68.1 | 0 | 0 | 0 | 0 | 108.2 | V188 A192 | V188-S190 PolarHBondContact O-N 3.14Å; S190-A192 PolarHBondContact O-N 3.39Å | ||
| 191 | F | 37.1 | Very low | 40.5 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 82% | 0.82 | 72% | 0.721 | S | S | * | * | trans | -69.7 | 88.4 | 166.3 | -63.5 | -75 | 0 | 0 | 0 | 107.8 | E189 F193 | E189-F191 PolarHBondContact O-N 3.36Å; F191-F193 PolarHBondContact O-N 3.12Å | ||
| 192 | A | 33.5 | Very low | 39.3 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | -62.2 | 105.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | S190 Q194 | S190-A192 PolarHBondContact O-N 3.39Å; A192-Q194 PolarHBondContact O-N 3.41Å | ||
| 193 | F | 38.1 | Very low | 38.1 | Very low | 205 Ų | 205 | 139.1 Ų | 139.1 | 90% | 0.899 | 73% | 0.729 | S | S | * | * | trans | -66.2 | 98.6 | 175 | -177.9 | -95.8 | 0 | 0 | 0 | 108.9 | F191 | F191-F193 PolarHBondContact O-N 3.12Š| ||
| 194 | Q | 36.5 | Very low | 37.2 | Very low | 188 Ų | 188 | 138.3 Ų | 138.3 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | -121.5 | 113.3 | 166.6 | -154.6 | 174.3 | 47.1 | 0 | 0 | 108.8 | A192 | A192-Q194 PolarHBondContact O-N 3.41Š| ||
| 195 | G | 36.1 | Very low | 35.7 | Very low | 52 Ų | 52 | 146.6 Ų | 146.6 | 54% | 0.536 | 76% | 0.757 | S | S | . | * | S | Bend | trans | 34.1 | 106.8 | 156.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 196 | S | 39.7 | Very low | 35.3 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 59.2 | 67.1 | 139 | 53.5 | 0 | 0 | 0 | 0 | 118.6 | ||
| 197 | R | 31.5 | Very low | 34.9 | Very low | 218 Ų | 218 | 148.2 Ų | 148.2 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | 178.8 | 111.7 | 129.9 | -116.3 | -179.1 | 166.4 | -122.6 | 0.9 | 109.2 | Q199 | R197-Q199 PolarHBondContact O-N 3Š| |||
| 198 | L | 35.6 | Very low | 34.9 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | trans | -68.2 | 95.3 | 164 | -97 | 163 | 0 | 0 | 0 | 108.4 | ||||
| 199 | Q | 30.6 | Very low | 34 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -92 | 97.5 | 164 | -153.1 | 168.8 | 13 | 0 | 0 | 107.1 | R197 V201 | R197-Q199 PolarHBondContact O-N 3Å; Q199-V201 PolarHBondContact O-N 3.43Å | ||
| 200 | R | 32.3 | Very low | 33.8 | Very low | 217 Ų | 217 | 148.4 Ų | 148.4 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | -62.7 | 100.9 | 169.1 | -177.8 | -172.9 | -64.4 | 136.9 | -0.3 | 107.4 | E202 | R200-E202 PolarHBondContact O-N 3.47Š| ||
| 201 | V | 32.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -78.5 | 95.5 | 166 | 177.4 | 0 | 0 | 0 | 0 | 106.4 | Q199 V203 | Q199-V201 PolarHBondContact O-N 3.43Å; V201-V203 HydrophobicContact CG1-CG2 3.96Å; V201-V203 PolarHBondContact O-N 2.85Å | ||
| 202 | E | 27.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 70% | 0.696 | 78% | 0.783 | S | S | * | * | trans | -78.6 | 100.6 | 169.7 | -168.8 | 168.6 | -154.2 | 0 | 0 | 107.2 | R200 T204 | R200-E202 PolarHBondContact O-N 3.47Å; E202-T204 VanDerWaalsContact C-N 3.33Å; E202-T204 HydrophobicContact CG-CG2 4.14Å; E202-T204 PolarHBondContact O-N 3.48Å | ||
| 203 | V | 31.1 | Very low | 33.3 | Very low | 102 Ų | 102 | 151.4 Ų | 151.4 | 62% | 0.618 | 79% | 0.789 | S | S | * | * | trans | -77.6 | 90.8 | 171.8 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | V201 W205 | V201-V203 HydrophobicContact CG1-CG2 3.96Å; V201-V203 PolarHBondContact O-N 2.85Å; V203-W205 PolarHBondContact O-N 2.87Å; V203-W205 VanDerWaalsContact O-N 3.14Å | ||
| 204 | T | 29.7 | Very low | 32.8 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | trans | -71.7 | 103.8 | 170.5 | 54 | 0 | 0 | 0 | 0 | 108.7 | E202 K206 | E202-T204 VanDerWaalsContact C-N 3.33Å; E202-T204 HydrophobicContact CG-CG2 4.14Å; E202-T204 PolarHBondContact O-N 3.48Å; T204-K206 PolarHBondContact O-N 3.44Å | ||
| 205 | W | 27.7 | Very low | 32.5 | Very low | 237 Ų | 237 | 146.7 Ų | 146.7 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -66.6 | 113.7 | 169.9 | -73.1 | 85.5 | 0 | 0 | 0 | 109.5 | V203 | V203-W205 PolarHBondContact O-N 2.87Å; V203-W205 VanDerWaalsContact O-N 3.14Å | ||
| 206 | K | 31.6 | Very low | 32 | Very low | 208 Ų | 208 | 151 Ų | 151 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -137 | 106.6 | 165.3 | -158.4 | -172.4 | -175.6 | -169.1 | 0 | 109.7 | T204 | T204-K206 PolarHBondContact O-N 3.44Š| ||
| 207 | G | 33.7 | Very low | 31.6 | Very low | 74 Ų | 74 | 152.6 Ų | 152.6 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 108.6 | 141.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 208 | S | 40.8 | Very low | 31.5 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -92.9 | 102.9 | -171.3 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 209 | H | 28.2 | Very low | 31.4 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | 170.3 | 146.9 | 136.5 | -143.3 | -101 | 0 | 0 | 0 | 108.8 | ||||
| 210 | P | 39.7 | Very low | 31.4 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | trans | -105.4 | 105.6 | -168.3 | 32.7 | -17.2 | 0 | 0 | 0 | 111.6 | ||||
| 211 | E | 30.6 | Very low | 31.1 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | trans | -168.3 | 147.8 | 153 | -129.2 | 111.7 | -164 | 0 | 0 | 109.8 | ||||
| 212 | A | 29.1 | Very low | 31.2 | Very low | 91 Ų | 91 | 140.3 Ų | 140.3 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | 82.7 | 87.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117 | E214 | A212-E214 PolarHBondContact O-N 3.42Š| ||
| 213 | L | 35.8 | Very low | 31.5 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -84.9 | 86.8 | 156.9 | -168.2 | 79.8 | 0 | 0 | 0 | 107.9 | V215 | L213-V215 HydrophobicContact CD2-CG2 4.48Å; L213-V215 HydrophobicContact CG-CG2 4.24Å | ||
| 214 | E | 28.6 | Very low | 31.3 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -97.1 | 106.6 | 171 | -72.1 | -160.3 | 155.5 | 0 | 0 | 110.1 | A212 H216 | A212-E214 PolarHBondContact O-N 3.42Å; E214-H216 PolarHBondContact O-N 2.91Å | ||
| 215 | V | 28.9 | Very low | 31.2 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 67% | 0.673 | 78% | 0.784 | S | S | * | * | trans | -90.8 | 92 | 175.8 | -167.6 | 0 | 0 | 0 | 0 | 107.4 | L213 | L213-V215 HydrophobicContact CD2-CG2 4.48Å; L213-V215 HydrophobicContact CG-CG2 4.24Å | ||
| 216 | H | 27.4 | Very low | 31.2 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -87.4 | 111.6 | 173.1 | -164.4 | 82.7 | 0 | 0 | 0 | 110.2 | E214 D218 | E214-H216 PolarHBondContact O-N 2.91Å; H216-D218 IonicContact CD2-OD2 3.66Å; H216-D218 IonicContact CE1-OD2 3.55Å; H216-D218 IonicContact NE2-OD1 3.7Å; H216-D218 IonicContact NE2-OD2 3.76Å; H216-D218 PolarHBondContact NE2-OD2 3.22Å | ||
| 217 | M | 30.6 | Very low | 31.1 | Very low | 156 Ų | 156 | 140 Ų | 140 | 77% | 0.768 | 78% | 0.779 | S | S | * | * | trans | -104.5 | 126.4 | 167.9 | -73.7 | -77.1 | 103.9 | 0 | 0 | 108.1 | ||||
| 218 | D | 28.9 | Very low | 30.8 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -120.3 | 131.4 | 163.3 | -91.7 | -36.1 | 0 | 0 | 0 | 110.6 | H216 | H216-D218 IonicContact CD2-OD2 3.66Å; H216-D218 IonicContact CE1-OD2 3.55Å; H216-D218 IonicContact NE2-OD1 3.7Å; H216-D218 IonicContact NE2-OD2 3.76Å; H216-D218 PolarHBondContact NE2-OD2 3.22Å | ||
| 219 | P | 33.2 | Very low | 30.2 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -97.9 | 144.3 | 179.7 | 34.8 | -30.3 | 0 | 0 | 0 | 114.9 | ||||
| 220 | L | 31 | Very low | 30.1 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 95% | 0.953 | 79% | 0.786 | S | S | * | * | trans | 56.1 | 126.2 | 152.7 | -96.3 | 73.9 | 0 | 0 | 0 | 121.9 | ||||
| 221 | G | 26.4 | Very low | 29.7 | Very low | 77 Ų | 77 | 150.2 Ų | 150.2 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 178 | 141.4 | 151.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 222 | P | 34.6 | Very low | 29.5 | Very low | 127 Ų | 127 | 151.6 Ų | 151.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -105.3 | 159.2 | -160.8 | 38.3 | -29 | 0 | 0 | 0 | 116.6 | ||||
| 223 | L | 33.5 | Very low | 29.4 | Very low | 158 Ų | 158 | 152.4 Ų | 152.4 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | 54.5 | 109.2 | 150.3 | -160.6 | 81.7 | 0 | 0 | 0 | 119.3 | ||||
| 224 | D | 27.2 | Very low | 28.9 | Very low | 110 Ų | 110 | 154.1 Ų | 154.1 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | -177.1 | 139.2 | 116.2 | -116.9 | -31.8 | 0 | 0 | 0 | 117.2 | |||||
| 225 | K | 28.3 | Very low | 29 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | 50.1 | 120.7 | 143 | -74.3 | 154.1 | -163.3 | 144.1 | 0 | 124.6 | ||||
| 226 | V | 27.8 | Very low | 28.9 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | 78.3 | 110.6 | 122.6 | 179.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 227 | R | 28.7 | Very low | 29 | Very low | 242 Ų | 242 | 154.7 Ų | 154.7 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | -162.5 | 132.5 | 107.8 | -130.8 | 169.4 | -179.3 | 137.2 | -3.1 | 113.1 | |||||
| 228 | R | 27.3 | Very low | 28.9 | Very low | 246 Ų | 246 | 151.6 Ų | 151.6 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | trans | -70.4 | 138.4 | 172.9 | -62.4 | 178.7 | 176.3 | -134.9 | -1.2 | 110.4 | ||||
| 229 | A | 28.5 | Very low | 28.9 | Very low | 102 Ų | 102 | 151.7 Ų | 151.7 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -140.5 | 118.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 230 | K | 26.7 | Very low | 28.7 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 83% | 0.83 | 82% | 0.816 | S | S | * | * | trans | -100.4 | 119.4 | -177.3 | -177.7 | 179.1 | -173.9 | 175.2 | 0 | 106.2 | ||||
| 231 | T | 30.7 | Very low | 28.5 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -135.1 | 118.8 | 159.8 | -1.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 232 | R | 26.7 | Very low | 28.7 | Very low | 216 Ų | 216 | 152.6 Ų | 152.6 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -95.3 | 136 | -170.3 | -145.5 | -153.2 | 170.8 | -169 | -3.3 | 108.3 | ||||
| 233 | V | 26.3 | Very low | 28.4 | Very low | 108 Ų | 108 | 156 Ų | 156 | 66% | 0.655 | 80% | 0.801 | S | S | * | * | trans | 75.5 | 115.9 | 144.6 | 177.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 234 | K | 26.2 | Very low | 28.3 | Very low | 201 Ų | 201 | 155 Ų | 155 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | -153.7 | 118.7 | 117.7 | -158.4 | 89.3 | 169.1 | -170.5 | 0 | 109.8 | |||||
| 235 | T | 30.7 | Very low | 28.5 | Very low | 128 Ų | 128 | 158.3 Ų | 158.3 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -69.8 | 128.1 | 170 | -59.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 236 | S | 27.4 | Very low | 29.1 | Very low | 111 Ų | 111 | 158.9 Ų | 158.9 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -153.5 | 120.5 | 155.1 | 53.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 237 | K | 28 | Very low | 29.7 | Very low | 210 Ų | 210 | 159.5 Ų | 159.5 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | trans | -47 | 130 | 173.5 | -72.7 | 167.8 | 167.4 | 177.4 | 0 | 111.6 | ||||
| 238 | A | 28.1 | Very low | 30.6 | Very low | 90 Ų | 90 | 154.5 Ų | 154.5 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | -134.3 | 128.5 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | V240 | A238-V240 PolarHBondContact O-N 3Š| ||
| 239 | V | 29.1 | Very low | 32.4 | Very low | 139 Ų | 139 | 146 Ų | 146 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -55.5 | 125.1 | -179.1 | 169.9 | 0 | 0 | 0 | 0 | 109.3 | E241 | V239-E241 PolarHBondContact O-N 3.49Š| ||
| 240 | V | 29.3 | Very low | 34.2 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -76.2 | 100.8 | 169.8 | 174.2 | 0 | 0 | 0 | 0 | 106.5 | A238 | A238-V240 PolarHBondContact O-N 3Š| ||
| 241 | E | 27.8 | Very low | 35.9 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -57.2 | 137.1 | 157.2 | -100.3 | -86.1 | 102.3 | 0 | 0 | 108.6 | V239 E243 | V239-E241 PolarHBondContact O-N 3.49Å; E241-E243 PolarHBondContact O-N 2.92Å | ||
| 242 | P | 29.9 | Very low | 37.4 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | trans | -63.7 | 123.5 | 173.3 | 27.5 | -30.5 | 0 | 0 | 0 | 108.5 | D244 | P242-D244 VanDerWaalsContact C-N 3.25Å; P242-D244 PolarHBondContact O-N 3.49Å | ||
| 243 | E | 27.6 | Very low | 39.1 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 93% | 0.925 | 70% | 0.697 | S | S | * | * | trans | -58.8 | 90.1 | 169.9 | -166.5 | 179.6 | 106.6 | 0 | 0 | 107.9 | E241 Q245 | E241-E243 PolarHBondContact O-N 2.92Å; E243-Q245 PolarHBondContact O-N 3.44Å | ||
| 244 | D | 31.1 | Very low | 40.9 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | trans | -58.2 | 133.1 | 172.7 | -118.7 | -52.4 | 0 | 0 | 0 | 108 | P242 Q246 | P242-D244 VanDerWaalsContact C-N 3.25Å; P242-D244 PolarHBondContact O-N 3.49Å; D244-Q246 PolarHBondContact O-N 3.46Å | ||
| 245 | Q | 32.8 | Very low | 42.7 | Very low | 179 Ų | 179 | 121.3 Ų | 121.3 | 84% | 0.836 | 65% | 0.652 | S | S | * | * | trans | -43.8 | 106 | 174.4 | -81.5 | 163.4 | -110.7 | 0 | 0 | 109 | E243 E247 | E243-Q245 PolarHBondContact O-N 3.44Å; Q245-E247 PolarHBondContact O-N 3.32Å | ||
| 246 | Q | 40.3 | Very low | 44.3 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | trans | -70.7 | 74.6 | 170.7 | -172.3 | 163.4 | -20.9 | 0 | 0 | 107.5 | D244 N248 | D244-Q246 PolarHBondContact O-N 3.46Å; Q246-N248 PolarHBondContact O-N 3.46Å | ||
| 247 | E | 40 | Very low | 46.2 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | trans | -53.6 | 125.6 | 159.1 | 56 | -171.8 | 161.8 | 0 | 0 | 106.9 | Q245 D249 | Q245-E247 PolarHBondContact O-N 3.32Å; E247-D249 PolarHBondContact O-N 2.78Å | ||
| 248 | N | 49 | Very low | 48 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -70.4 | 76 | -175.7 | -72.1 | -82 | 0 | 0 | 0 | 108.7 | Q246 F250 | Q246-N248 PolarHBondContact O-N 3.46Å; N248-F250 VanDerWaalsContact C-N 3.34Å; N248-F250 VanDerWaalsContact O-CD2 3.3Å; N248-F250 WeakPolarHBondContact O-CD2 3.42Å; N248-F250 PolarHBondContact O-N 3.36Å | ||
| 249 | D | 63.6 | Low | 50 | Low | 69 Ų | 69 | 124.5 Ų | 124.5 | 37% | 0.369 | 64% | 0.642 | S | S | . | * | trans | -75.1 | 88.7 | -179.1 | -77.2 | -21.3 | 0 | 0 | 0 | 109.4 | E247 L251 S252 C253 | E247-D249 PolarHBondContact O-N 2.78Å; D249-L251 PolarHBondContact O-N 3.27Å; D249-L251 VanDerWaalsContact O-N 3.1Å; D249-S252 VanDerWaalsContact CB-CB 3.48Å; D249-S252 WeakPolarHBondContact O-CA 3.45Å; D249-S252 WeakPolarHBondContact O-CB 3.29Å; D249-S252 PolarHBondContact O-N 2.93Å; D249-C253 PolarHBondContact O-N 2.82Å | ||
| 250 | F | 66.8 | Low | 51.9 | Low | 168 Ų | 168 | 122 Ų | 122 | 74% | 0.737 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -48 | -34.3 | 165.9 | -74.8 | -89.7 | 0 | 0 | 0 | 111.4 | N248 S252 C253 M254 | N248-F250 VanDerWaalsContact C-N 3.34Å; N248-F250 VanDerWaalsContact O-CD2 3.3Å; N248-F250 WeakPolarHBondContact O-CD2 3.42Å; N248-F250 PolarHBondContact O-N 3.36Å; F250-S252 VanDerWaalsContact C-N 3.35Å; F250-C253 WeakPolarHBondContact O-CB 3.35Å; F250-C253 PolarHBondContact O-N 2.69Å; F250-M254 WeakPolarHBondContact O-CG 3.33Å; F250-M254 PolarHBondContact O-N 3.01Å |
| 251 | L | 62.3 | Low | 54.1 | Low | 44 Ų | 44 | 118.5 Ų | 118.5 | 23% | 0.23 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -68.4 | -31.8 | 174.6 | -60.4 | 178.3 | 0 | 0 | 0 | 112.8 | D249 M254 S255 F266 L269 | D249-L251 PolarHBondContact O-N 3.27Å; D249-L251 VanDerWaalsContact O-N 3.1Å; L251-M254 HydrophobicContact CD2-CE 3.61Å; L251-S255 VanDerWaalsContact O-CB 3.3Å; L251-S255 WeakPolarHBondContact O-CB 3.4Å; L251-S255 PolarHBondContact O-N 3.37Å; L251-S255 PolarHBondContact O-OG 3.34Å; L251-F266 HydrophobicContact CD1-CD1 4.02Å; L251-F266 HydrophobicContact CD1-CE1 3.26Å; L251-F266 HydrophobicContact CD1-CE2 4.28Å; L251-F266 HydrophobicContact CD1-CZ 3.41Å; L251-F266 VanDerWaalsContact CD1-CZ 3.41Å; L251-L269 HydrophobicContact CD2-CD1 3.65Å |
| 252 | S | 61.3 | Low | 56.2 | Low | 30 Ų | 30 | 118.1 Ų | 118.1 | 21% | 0.21 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -75.7 | -25.5 | 173.7 | -162.8 | 0 | 0 | 0 | 0 | 112.4 | D249 F250 S255 R256 R262 | D249-S252 VanDerWaalsContact CB-CB 3.48Å; D249-S252 WeakPolarHBondContact O-CA 3.45Å; D249-S252 WeakPolarHBondContact O-CB 3.29Å; D249-S252 PolarHBondContact O-N 2.93Å; F250-S252 VanDerWaalsContact C-N 3.35Å; S252-S255 WeakPolarHBondContact CA-OG 3.13Å; S252-S255 PolarHBondContact O-OG 2.79Å; S252-R256 WeakPolarHBondContact O-CB 3.4Å; S252-R256 PolarHBondContact O-N 3.44Å; S252-R262 PolarHBondContact OG-NE 3.4Å; S252-R262 PolarHBondContact OG-NH2 3.3Å |
| 253 | C | 64.3 | Low | 58.5 | Low | 93 Ų | 93 | 122.3 Ų | 122.3 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.3 | -45.4 | 169.2 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | D249 F250 R256 R257 | D249-C253 PolarHBondContact O-N 2.82Å; F250-C253 WeakPolarHBondContact O-CB 3.35Å; F250-C253 PolarHBondContact O-N 2.69Å; C253-R256 PolarHBondContact O-N 2.83Å; C253-R257 PolarHBondContact O-N 3.49Å |
| 254 | M | 62.1 | Low | 61 | Low | 96 Ų | 96 | 115.4 Ų | 115.4 | 47% | 0.473 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -39.2 | 175.5 | -69.2 | -157.3 | -62.6 | 0 | 0 | 112.6 | F250 L251 R256 R257 S258 | F250-M254 WeakPolarHBondContact O-CG 3.33Å; F250-M254 PolarHBondContact O-N 3.01Å; L251-M254 HydrophobicContact CD2-CE 3.61Å; M254-R256 VanDerWaalsContact C-N 3.27Å; M254-R256 PolarHBondContact O-N 2.81Å; M254-R257 PolarHBondContact O-N 2.84Å; M254-S258 WeakPolarHBondContact O-CB 3.37Å; M254-S258 PolarHBondContact O-N 3.29Å; M254-S258 PolarHBondContact O-OG 2.94Å |
| 255 | S | 64.1 | Low | 63.1 | Low | 16 Ų | 16 | 110.2 Ų | 110.2 | 11% | 0.112 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 176.5 | 74.6 | 0 | 0 | 0 | 0 | 112.2 | L251 S252 R257 S258 G259 L260 | L251-S255 VanDerWaalsContact O-CB 3.3Å; L251-S255 WeakPolarHBondContact O-CB 3.4Å; L251-S255 PolarHBondContact O-N 3.37Å; L251-S255 PolarHBondContact O-OG 3.34Å; S252-S255 WeakPolarHBondContact CA-OG 3.13Å; S252-S255 PolarHBondContact O-OG 2.79Å; S255-R257 VanDerWaalsContact C-N 3.32Å; S255-R257 PolarHBondContact O-N 2.86Å; S255-S258 PolarHBondContact O-N 2.97Å; S255-G259 WeakPolarHBondContact O-CA 3.2Å; S255-G259 PolarHBondContact O-N 2.8Å; S255-L260 WeakPolarHBondContact CB-O 3.11Å |
| 256 | R | 64.8 | Low | 65.4 | Low | 228 Ų | 228 | 107.1 Ų | 107.1 | 86% | 0.86 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.8 | -29.6 | 178.5 | -153.9 | 175.3 | -164.1 | -174.5 | 4.5 | 112.8 | S252 C253 M254 | S252-R256 WeakPolarHBondContact O-CB 3.4Å; S252-R256 PolarHBondContact O-N 3.44Å; C253-R256 PolarHBondContact O-N 2.83Å; M254-R256 VanDerWaalsContact C-N 3.27Å; M254-R256 PolarHBondContact O-N 2.81Å |
| 257 | R | 68.6 | Low | 67.3 | Low | 233 Ų | 233 | 102 Ų | 102 | 88% | 0.879 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -82.8 | -30.3 | 176.3 | -162.1 | 172.2 | -172.9 | 174.2 | 1.3 | 112.7 | C253 M254 S255 | C253-R257 PolarHBondContact O-N 3.49Å; M254-R257 PolarHBondContact O-N 2.84Å; S255-R257 VanDerWaalsContact C-N 3.32Å; S255-R257 PolarHBondContact O-N 2.86Å |
| 258 | S | 65.6 | Low | 69.3 | Low | 72 Ų | 72 | 99 Ų | 99 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -98 | -10.2 | -177 | -56.8 | 0 | 0 | 0 | 0 | 114.4 | M254 S255 L260 | M254-S258 WeakPolarHBondContact O-CB 3.37Å; M254-S258 PolarHBondContact O-N 3.29Å; M254-S258 PolarHBondContact O-OG 2.94Å; S255-S258 PolarHBondContact O-N 2.97Å; S258-L260 PolarHBondContact O-N 3.2Å; S258-L260 VanDerWaalsContact O-N 3.07Å |
| 259 | G | 68.7 | Low | 71 | Confident | 73 Ų | 73 | 96.4 Ų | 96.4 | 75% | 0.753 | 49% | 0.488 | S | S | * | . | trans | 65.2 | 9.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S255 | S255-G259 WeakPolarHBondContact O-CA 3.2Å; S255-G259 PolarHBondContact O-N 2.8Å | ||
| 260 | L | 70.2 | Confident | 72.1 | Confident | 86 Ų | 86 | 99.2 Ų | 99.2 | 45% | 0.45 | 50% | 0.497 | S | S | . | . | trans | -96.1 | 138.2 | -176.3 | -77 | 155.6 | 0 | 0 | 0 | 110.3 | S255 S258 V264 | S255-L260 WeakPolarHBondContact CB-O 3.11Å; S258-L260 PolarHBondContact O-N 3.2Å; S258-L260 VanDerWaalsContact O-N 3.07Å; L260-V264 HydrophobicContact CD2-CG1 4.37Å | ||
| 261 | P | 75.7 | Confident | 72.9 | Confident | 65 Ų | 65 | 96.2 Ų | 96.2 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | trans | -69.9 | 144.1 | -175.1 | 32.2 | -37.4 | 0 | 0 | 0 | 110.9 | W263 V264 | P261-W263 VanDerWaalsContact C-N 3.31Å; P261-W263 VanDerWaalsContact CB-NE1 3.31Å; P261-W263 PolarHBondContact O-N 2.84Å; P261-W263 VanDerWaalsContact O-N 3.13Å; P261-V264 HydrophobicContact CG-CB 4.33Å; P261-V264 HydrophobicContact CG-CG2 3.74Å; P261-V264 WeakPolarHBondContact O-CB 3.39Å; P261-V264 PolarHBondContact O-N 3.39Å | ||
| 262 | R | 71.1 | Confident | 74.2 | Confident | 145 Ų | 145 | 97.5 Ų | 97.5 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -51.9 | -42.3 | -166.6 | -65.6 | -175.5 | -178.8 | 114.1 | -6 | 114.2 | S252 V264 L265 F266 | S252-R262 PolarHBondContact OG-NE 3.4Å; S252-R262 PolarHBondContact OG-NH2 3.3Å; R262-V264 VanDerWaalsContact C-N 3.28Å; R262-V264 PolarHBondContact O-N 3.3Å; R262-L265 PolarHBondContact O-N 3.06Å; R262-L265 VanDerWaalsContact O-N 3.16Å; R262-F266 HydrophobicContact CB-CE2 4.44Å; R262-F266 WeakPolarHBondContact O-CD2 3.23Å; R262-F266 PolarHBondContact O-N 3.08Å; R262-F266 VanDerWaalsContact O-N 3.13Å |
| 263 | W | 77.3 | Confident | 75.7 | Confident | 183 Ų | 183 | 101.3 Ų | 101.3 | 69% | 0.693 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -56.5 | -36 | 176 | 64.1 | -55.6 | 0 | 0 | 0 | 113.7 | P261 F266 C267 | P261-W263 VanDerWaalsContact C-N 3.31Å; P261-W263 VanDerWaalsContact CB-NE1 3.31Å; P261-W263 PolarHBondContact O-N 2.84Å; P261-W263 VanDerWaalsContact O-N 3.13Å; W263-F266 PolarHBondContact O-N 3.32Å; W263-C267 WeakPolarHBondContact O-CB 3.29Å; W263-C267 PolarHBondContact O-N 3.15Å; W263-C267 PolarHBondContact O-SG 2.92Å |
| 264 | V | 81.6 | Confident | 76.8 | Confident | 54 Ų | 54 | 100.6 Ų | 100.6 | 33% | 0.327 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -36.7 | 178.3 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | L260 P261 R262 C267 C268 | L260-V264 HydrophobicContact CD2-CG1 4.37Å; P261-V264 HydrophobicContact CG-CB 4.33Å; P261-V264 HydrophobicContact CG-CG2 3.74Å; P261-V264 WeakPolarHBondContact O-CB 3.39Å; P261-V264 PolarHBondContact O-N 3.39Å; R262-V264 VanDerWaalsContact C-N 3.28Å; R262-V264 PolarHBondContact O-N 3.3Å; V264-C267 PolarHBondContact O-N 3.37Å; V264-C268 VanDerWaalsContact O-CB 3.29Å; V264-C268 WeakPolarHBondContact O-CB 3.49Å; V264-C268 PolarHBondContact O-N 3.47Å |
| 265 | L | 75.5 | Confident | 78.1 | Confident | 29 Ų | 29 | 99.9 Ų | 99.9 | 15% | 0.152 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 175 | -68.4 | 176.2 | 0 | 0 | 0 | 111.5 | R262 C268 L269 | R262-L265 PolarHBondContact O-N 3.06Å; R262-L265 VanDerWaalsContact O-N 3.16Å; L265-C268 PolarHBondContact O-N 2.89Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 WeakPolarHBondContact O-CG 3.18Å; L265-L269 PolarHBondContact O-N 3.2Å |
| 266 | F | 80.2 | Confident | 79.1 | Confident | 114 Ų | 114 | 105.2 Ų | 105.2 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 173.3 | -76.7 | -69.7 | 0 | 0 | 0 | 111.5 | L251 R262 W263 C268 L269 F270 | L251-F266 HydrophobicContact CD1-CD1 4.02Å; L251-F266 HydrophobicContact CD1-CE1 3.26Å; L251-F266 HydrophobicContact CD1-CE2 4.28Å; L251-F266 HydrophobicContact CD1-CZ 3.41Å; L251-F266 VanDerWaalsContact CD1-CZ 3.41Å; R262-F266 HydrophobicContact CB-CE2 4.44Å; R262-F266 WeakPolarHBondContact O-CD2 3.23Å; R262-F266 PolarHBondContact O-N 3.08Å; R262-F266 VanDerWaalsContact O-N 3.13Å; W263-F266 PolarHBondContact O-N 3.32Å; F266-C268 PolarHBondContact O-N 3.49Å; F266-L269 PolarHBondContact O-N 3.43Å; F266-F270 WeakPolarHBondContact O-CB 3.14Å; F266-F270 PolarHBondContact O-N 2.93Å |
| 267 | C | 79.9 | Confident | 80.2 | Confident | 65 Ų | 65 | 98 Ų | 98 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.6 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | W263 V264 F270 L271 | W263-C267 WeakPolarHBondContact O-CB 3.29Å; W263-C267 PolarHBondContact O-N 3.15Å; W263-C267 PolarHBondContact O-SG 2.92Å; V264-C267 PolarHBondContact O-N 3.37Å; C267-F270 PolarHBondContact O-N 2.88Å; C267-L271 VanDerWaalsContact O-CB 3.31Å; C267-L271 WeakPolarHBondContact O-CB 3.42Å; C267-L271 WeakPolarHBondContact O-CG 3.37Å; C267-L271 PolarHBondContact O-N 3.35Å |
| 268 | C | 82.7 | Confident | 81.2 | Confident | 81 Ų | 81 | 95.5 Ų | 95.5 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | -179.7 | -177 | 0 | 0 | 0 | 0 | 112.3 | V264 L265 F266 L271 S272 | V264-C268 VanDerWaalsContact O-CB 3.29Å; V264-C268 WeakPolarHBondContact O-CB 3.49Å; V264-C268 PolarHBondContact O-N 3.47Å; L265-C268 PolarHBondContact O-N 2.89Å; F266-C268 PolarHBondContact O-N 3.49Å; C268-L271 PolarHBondContact O-N 3.39Å; C268-S272 WeakPolarHBondContact O-CB 3.31Å; C268-S272 PolarHBondContact O-N 2.87Å |
| 269 | L | 84.1 | Confident | 82.1 | Confident | 80 Ų | 80 | 96.6 Ų | 96.6 | 42% | 0.419 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176 | -72 | 172.9 | 0 | 0 | 0 | 111.5 | L251 L265 F266 L271 S272 I273 | L251-L269 HydrophobicContact CD2-CD1 3.65Å; L265-L269 WeakPolarHBondContact O-CB 3.43Å; L265-L269 WeakPolarHBondContact O-CG 3.18Å; L265-L269 PolarHBondContact O-N 3.2Å; F266-L269 PolarHBondContact O-N 3.43Å; L269-L271 PolarHBondContact O-N 3.42Å; L269-S272 WeakPolarHBondContact O-CB 3.46Å; L269-S272 PolarHBondContact O-N 2.9Å; L269-I273 WeakPolarHBondContact O-CG1 3.36Å; L269-I273 PolarHBondContact O-N 3.27Å |
| 270 | F | 87.4 | Confident | 82.7 | Confident | 128 Ų | 128 | 95.6 Ų | 95.6 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 178.2 | -175.4 | -107.5 | 0 | 0 | 0 | 111.8 | F266 C267 S272 I273 L274 | F266-F270 WeakPolarHBondContact O-CB 3.14Å; F266-F270 PolarHBondContact O-N 2.93Å; C267-F270 PolarHBondContact O-N 2.88Å; F270-S272 VanDerWaalsContact C-N 3.34Å; F270-S272 PolarHBondContact O-N 2.93Å; F270-I273 PolarHBondContact O-N 2.86Å; F270-L274 HydrophobicContact CD1-CD1 3.66Å; F270-L274 HydrophobicContact CD1-CG 4.25Å; F270-L274 HydrophobicContact CE1-CD1 3.26Å; F270-L274 HydrophobicContact CE1-CG 3.97Å; F270-L274 HydrophobicContact CZ-CD1 3.8Å; F270-L274 HydrophobicContact CZ-CD2 4.23Å; F270-L274 HydrophobicContact CZ-CG 4.09Å; F270-L274 WeakPolarHBondContact O-CB 3.43Å; F270-L274 WeakPolarHBondContact O-CG 3.13Å; F270-L274 PolarHBondContact O-N 3.29Å |
| 271 | L | 83.6 | Confident | 82.9 | Confident | 105 Ų | 105 | 94.3 Ų | 94.3 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.8 | -39.3 | 174.7 | -71.7 | 170.7 | 0 | 0 | 0 | 111.9 | C267 C268 L269 I273 L274 V275 | C267-L271 VanDerWaalsContact O-CB 3.31Å; C267-L271 WeakPolarHBondContact O-CB 3.42Å; C267-L271 WeakPolarHBondContact O-CG 3.37Å; C267-L271 PolarHBondContact O-N 3.35Å; C268-L271 PolarHBondContact O-N 3.39Å; L269-L271 PolarHBondContact O-N 3.42Å; L271-I273 PolarHBondContact O-N 3.29Å; L271-L274 PolarHBondContact O-N 2.94Å; L271-V275 WeakPolarHBondContact O-CB 3.49Å; L271-V275 VanDerWaalsContact O-CG2 3.23Å; L271-V275 WeakPolarHBondContact O-CG2 3.34Å; L271-V275 PolarHBondContact O-N 2.99Å |
| 272 | S | 90.5 | Very high | 82.7 | Confident | 71 Ų | 71 | 93.3 Ų | 93.3 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.9 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | C268 L269 F270 V275 M276 | C268-S272 WeakPolarHBondContact O-CB 3.31Å; C268-S272 PolarHBondContact O-N 2.87Å; L269-S272 WeakPolarHBondContact O-CB 3.46Å; L269-S272 PolarHBondContact O-N 2.9Å; F270-S272 VanDerWaalsContact C-N 3.34Å; F270-S272 PolarHBondContact O-N 2.93Å; S272-V275 PolarHBondContact O-N 3.47Å; S272-M276 WeakPolarHBondContact O-CB 3.18Å; S272-M276 VanDerWaalsContact O-CG 3.31Å; S272-M276 WeakPolarHBondContact O-CG 3.43Å; S272-M276 PolarHBondContact O-N 2.93Å |
| 273 | I | 92.7 | Very high | 82.4 | Confident | 110 Ų | 110 | 90.9 Ų | 90.9 | 56% | 0.564 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 178.2 | -65.8 | 165.4 | 0 | 0 | 0 | 110.2 | L269 F270 L271 V275 M276 L277 | L269-I273 WeakPolarHBondContact O-CG1 3.36Å; L269-I273 PolarHBondContact O-N 3.27Å; F270-I273 PolarHBondContact O-N 2.86Å; L271-I273 PolarHBondContact O-N 3.29Å; I273-V275 VanDerWaalsContact C-N 3.32Å; I273-V275 PolarHBondContact O-N 2.81Å; I273-M276 PolarHBondContact O-N 2.8Å; I273-L277 WeakPolarHBondContact O-CB 3.44Å; I273-L277 PolarHBondContact O-N 3.49Å |
| 274 | L | 86.3 | Confident | 81.7 | Confident | 78 Ų | 78 | 88.5 Ų | 88.5 | 41% | 0.408 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.3 | -74.6 | 179.3 | 0 | 0 | 0 | 112.3 | F270 L271 L277 W278 | F270-L274 HydrophobicContact CD1-CD1 3.66Å; F270-L274 HydrophobicContact CD1-CG 4.25Å; F270-L274 HydrophobicContact CE1-CD1 3.26Å; F270-L274 HydrophobicContact CE1-CG 3.97Å; F270-L274 HydrophobicContact CZ-CD1 3.8Å; F270-L274 HydrophobicContact CZ-CD2 4.23Å; F270-L274 HydrophobicContact CZ-CG 4.09Å; F270-L274 WeakPolarHBondContact O-CB 3.43Å; F270-L274 WeakPolarHBondContact O-CG 3.13Å; F270-L274 PolarHBondContact O-N 3.29Å; L271-L274 PolarHBondContact O-N 2.94Å; L274-L277 PolarHBondContact O-N 2.77Å; L274-W278 WeakPolarHBondContact O-CB 3.38Å; L274-W278 PolarHBondContact O-N 3.5Å |
| 275 | V | 88.8 | Confident | 80.4 | Confident | 81 Ų | 81 | 92 Ų | 92 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 111 | L271 S272 I273 L277 W278 L279 | L271-V275 WeakPolarHBondContact O-CB 3.49Å; L271-V275 VanDerWaalsContact O-CG2 3.23Å; L271-V275 WeakPolarHBondContact O-CG2 3.34Å; L271-V275 PolarHBondContact O-N 2.99Å; S272-V275 PolarHBondContact O-N 3.47Å; I273-V275 VanDerWaalsContact C-N 3.32Å; I273-V275 PolarHBondContact O-N 2.81Å; V275-L277 VanDerWaalsContact C-N 3.34Å; V275-L277 PolarHBondContact O-N 2.85Å; V275-W278 PolarHBondContact O-N 2.93Å; V275-L279 HydrophobicContact CG1-CD1 3.98Å; V275-L279 HydrophobicContact CG1-CG 4.29Å; V275-L279 WeakPolarHBondContact O-CB 3.32Å; V275-L279 VanDerWaalsContact O-CG 3.25Å; V275-L279 WeakPolarHBondContact O-CG 3.31Å; V275-L279 PolarHBondContact O-N 3.31Å |
| 276 | M | 86.6 | Confident | 79.1 | Confident | 129 Ų | 129 | 95.6 Ų | 95.6 | 64% | 0.635 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -44.6 | 173.9 | -76.9 | -65.8 | -62.6 | 0 | 0 | 111.7 | S272 I273 L279 S280 | S272-M276 WeakPolarHBondContact O-CB 3.18Å; S272-M276 VanDerWaalsContact O-CG 3.31Å; S272-M276 WeakPolarHBondContact O-CG 3.43Å; S272-M276 PolarHBondContact O-N 2.93Å; I273-M276 PolarHBondContact O-N 2.8Å; M276-L279 PolarHBondContact O-N 2.77Å; M276-S280 WeakPolarHBondContact O-CB 3.13Å; M276-S280 PolarHBondContact O-N 3.33Å |
| 277 | L | 88.1 | Confident | 77 | Confident | 77 Ų | 77 | 94.8 Ų | 94.8 | 40% | 0.403 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.8 | -171.7 | 64.7 | 0 | 0 | 0 | 110.9 | I273 L274 V275 L279 S280 C281 | I273-L277 WeakPolarHBondContact O-CB 3.44Å; I273-L277 PolarHBondContact O-N 3.49Å; L274-L277 PolarHBondContact O-N 2.77Å; V275-L277 VanDerWaalsContact C-N 3.34Å; V275-L277 PolarHBondContact O-N 2.85Å; L277-L279 PolarHBondContact O-N 3.28Å; L277-S280 WeakPolarHBondContact CA-OG 3.43Å; L277-S280 PolarHBondContact O-N 2.66Å; L277-S280 PolarHBondContact O-OG 3.23Å; L277-C281 WeakPolarHBondContact O-CB 3.25Å; L277-C281 PolarHBondContact O-N 3.24Å; L277-C281 PolarHBondContact O-SG 3.49Å |
| 278 | W | 88.6 | Confident | 75.1 | Confident | 180 Ų | 180 | 97.1 Ų | 97.1 | 68% | 0.682 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.1 | -47.3 | 175.2 | 178.5 | -92.9 | 0 | 0 | 0 | 111.8 | L274 V275 S280 C281 C282 | L274-W278 WeakPolarHBondContact O-CB 3.38Å; L274-W278 PolarHBondContact O-N 3.5Å; V275-W278 PolarHBondContact O-N 2.93Å; W278-S280 VanDerWaalsContact C-N 3.33Å; W278-S280 PolarHBondContact O-N 3.44Å; W278-C281 CarbonylContact O-C 3.18Å; W278-C281 PolarHBondContact O-N 2.7Å; W278-C282 PolarHBondContact NE1-SG 3.34Å; W278-C282 WeakPolarHBondContact O-CB 3.33Å; W278-C282 PolarHBondContact O-N 3.02Å; W278-C282 PolarHBondContact O-SG 3.33Å |
| 279 | L | 84.2 | Confident | 73.4 | Confident | 95 Ų | 95 | 97.2 Ų | 97.2 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.4 | -40.3 | 176.7 | -70.6 | 175.5 | 0 | 0 | 0 | 111.2 | V275 M276 L277 C281 C282 T283 | V275-L279 HydrophobicContact CG1-CD1 3.98Å; V275-L279 HydrophobicContact CG1-CG 4.29Å; V275-L279 WeakPolarHBondContact O-CB 3.32Å; V275-L279 VanDerWaalsContact O-CG 3.25Å; V275-L279 WeakPolarHBondContact O-CG 3.31Å; V275-L279 PolarHBondContact O-N 3.31Å; M276-L279 PolarHBondContact O-N 2.77Å; L277-L279 PolarHBondContact O-N 3.28Å; L279-C281 VanDerWaalsContact C-N 3.34Å; L279-C281 PolarHBondContact O-N 3.22Å; L279-C282 PolarHBondContact O-N 3.46Å; L279-T283 PolarHBondContact O-N 2.87Å; L279-T283 PolarHBondContact O-OG1 3.29Å |
| 280 | S | 80.9 | Confident | 71.3 | Confident | 52 Ų | 52 | 101.7 Ų | 101.7 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.4 | -40.6 | 174.2 | 77 | 0 | 0 | 0 | 0 | 112.3 | M276 L277 W278 T283 L284 | M276-S280 WeakPolarHBondContact O-CB 3.13Å; M276-S280 PolarHBondContact O-N 3.33Å; L277-S280 WeakPolarHBondContact CA-OG 3.43Å; L277-S280 PolarHBondContact O-N 2.66Å; L277-S280 PolarHBondContact O-OG 3.23Å; W278-S280 VanDerWaalsContact C-N 3.33Å; W278-S280 PolarHBondContact O-N 3.44Å; S280-T283 PolarHBondContact O-N 3.47Å; S280-L284 WeakPolarHBondContact O-CG 3.45Å; S280-L284 PolarHBondContact O-N 3.01Å |
| 281 | C | 75.6 | Confident | 69.2 | Low | 58 Ų | 58 | 103.9 Ų | 103.9 | 39% | 0.392 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.1 | -37.4 | 175.6 | -69.8 | 0 | 0 | 0 | 0 | 112 | L277 W278 L279 L284 V285 | L277-C281 WeakPolarHBondContact O-CB 3.25Å; L277-C281 PolarHBondContact O-N 3.24Å; L277-C281 PolarHBondContact O-SG 3.49Å; W278-C281 CarbonylContact O-C 3.18Å; W278-C281 PolarHBondContact O-N 2.7Å; L279-C281 VanDerWaalsContact C-N 3.34Å; L279-C281 PolarHBondContact O-N 3.22Å; C281-L284 PolarHBondContact O-N 3.31Å; C281-V285 VanDerWaalsContact O-CG2 3.3Å; C281-V285 WeakPolarHBondContact O-CG2 3.3Å; C281-V285 PolarHBondContact O-N 3.47Å |
| 282 | C | 72.3 | Confident | 67 | Low | 45 Ų | 45 | 105.9 Ų | 105.9 | 30% | 0.304 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65 | -40.6 | 172.6 | -72.5 | 0 | 0 | 0 | 0 | 111 | W278 L279 L284 V285 T286 | W278-C282 PolarHBondContact NE1-SG 3.34Å; W278-C282 WeakPolarHBondContact O-CB 3.33Å; W278-C282 PolarHBondContact O-N 3.02Å; W278-C282 PolarHBondContact O-SG 3.33Å; L279-C282 PolarHBondContact O-N 3.46Å; C282-L284 VanDerWaalsContact C-N 3.33Å; C282-L284 PolarHBondContact O-N 2.57Å; C282-V285 PolarHBondContact O-N 3.37Å; C282-T286 VanDerWaalsContact O-CB 3.3Å; C282-T286 WeakPolarHBondContact O-CB 3.3Å; C282-T286 PolarHBondContact O-N 2.92Å; C282-T286 PolarHBondContact O-OG1 3.45Å |
| 283 | T | 64.1 | Low | 64.4 | Low | 94 Ų | 94 | 109.4 Ų | 109.4 | 58% | 0.577 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.6 | -40.8 | 175.2 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | L279 S280 V285 T286 T287 | L279-T283 PolarHBondContact O-N 2.87Å; L279-T283 PolarHBondContact O-OG1 3.29Å; S280-T283 PolarHBondContact O-N 3.47Å; T283-V285 VanDerWaalsContact C-N 3.33Å; T283-V285 PolarHBondContact O-N 3.01Å; T283-T286 PolarHBondContact O-N 2.72Å; T283-T287 PolarHBondContact O-N 2.89Å |
| 284 | L | 62.1 | Low | 62.2 | Low | 132 Ų | 132 | 112.4 Ų | 112.4 | 69% | 0.691 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.4 | -34.6 | 175.6 | -71.7 | 169.6 | 0 | 0 | 0 | 113.1 | S280 C281 C282 T287 | S280-L284 WeakPolarHBondContact O-CG 3.45Å; S280-L284 PolarHBondContact O-N 3.01Å; C281-L284 PolarHBondContact O-N 3.31Å; C282-L284 VanDerWaalsContact C-N 3.33Å; C282-L284 PolarHBondContact O-N 2.57Å; L284-T287 PolarHBondContact O-OG1 3.33Å |
| 285 | V | 54.3 | Low | 59.6 | Low | 127 Ų | 127 | 114.3 Ų | 114.3 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -84.8 | -18.7 | 179.3 | 174.7 | 0 | 0 | 0 | 0 | 112.3 | C281 C282 T283 | C281-V285 VanDerWaalsContact O-CG2 3.3Å; C281-V285 WeakPolarHBondContact O-CG2 3.3Å; C281-V285 PolarHBondContact O-N 3.47Å; C282-V285 PolarHBondContact O-N 3.37Å; T283-V285 VanDerWaalsContact C-N 3.33Å; T283-V285 PolarHBondContact O-N 3.01Å |
| 286 | T | 49.1 | Very low | 57.4 | Low | 105 Ų | 105 | 115.5 Ų | 115.5 | 64% | 0.644 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -104.7 | 11 | -176.9 | -32.3 | 0 | 0 | 0 | 0 | 113.7 | C282 T283 P288 | C282-T286 VanDerWaalsContact O-CB 3.3Å; C282-T286 WeakPolarHBondContact O-CB 3.3Å; C282-T286 PolarHBondContact O-N 2.92Å; C282-T286 PolarHBondContact O-OG1 3.45Å; T283-T286 PolarHBondContact O-N 2.72Å; T286-P288 WeakPolarHBondContact O-CD 2.96Å |
| 287 | T | 35.1 | Very low | 55.1 | Low | 97 Ų | 97 | 117.5 Ų | 117.5 | 60% | 0.595 | 65% | 0.647 | S | S | * | * | trans | -86.8 | 97.5 | 161.5 | 43.3 | 0 | 0 | 0 | 0 | 109.8 | T283 L284 G289 | T283-T287 PolarHBondContact O-N 2.89Å; L284-T287 PolarHBondContact O-OG1 3.33Å; T287-G289 PolarHBondContact O-N 3.39Å | ||
| 288 | P | 40.6 | Very low | 52.6 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 74% | 0.74 | 66% | 0.664 | S | S | * | * | trans | -61 | 131.8 | 162.5 | 29.1 | -33.4 | 0 | 0 | 0 | 107.1 | T286 Q290 | T286-P288 WeakPolarHBondContact O-CD 2.96Å; P288-Q290 PolarHBondContact O-N 3.25Å | ||
| 289 | G | 46 | Very low | 50.6 | Low | 83 Ų | 83 | 115.2 Ų | 115.2 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | trans | -49.2 | 101.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T287 | T287-G289 PolarHBondContact O-N 3.39Š| ||
| 290 | Q | 41.1 | Very low | 48.7 | Very low | 175 Ų | 175 | 119 Ų | 119 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | trans | -98.4 | 100.6 | 148.5 | -74.4 | -149.5 | -32.3 | 0 | 0 | 107.5 | P288 L292 | P288-Q290 PolarHBondContact O-N 3.25Å; Q290-L292 PolarHBondContact O-N 3.01Å | ||
| 291 | H | 42 | Very low | 46.6 | Very low | 173 Ų | 173 | 125 Ų | 125 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | trans | -60.3 | 74.3 | 168.4 | -162.9 | -92.7 | 0 | 0 | 0 | 109.6 | K293 | H291-K293 PolarHBondContact O-N 2.98Š| ||
| 292 | L | 38.1 | Very low | 45 | Very low | 148 Ų | 148 | 131 Ų | 131 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | -74.6 | 91.9 | 161.6 | -76 | 175.5 | 0 | 0 | 0 | 107.1 | Q290 L294 | Q290-L292 PolarHBondContact O-N 3.01Å; L292-L294 PolarHBondContact O-N 2.8Å | ||
| 293 | K | 36.5 | Very low | 43.5 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | trans | -53.4 | 83.6 | 170 | -173.6 | -174.2 | 177 | -168.4 | 0 | 110 | H291 Q295 | H291-K293 PolarHBondContact O-N 2.98Å; K293-Q295 HydrophobicContact CG-CB 4.01Å; K293-Q295 PolarHBondContact O-N 3.32Å | ||
| 294 | L | 46.4 | Very low | 42.3 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | trans | -73.7 | 76.7 | 156.5 | -79.8 | 150.3 | 0 | 0 | 0 | 106.7 | L292 | L292-L294 PolarHBondContact O-N 2.8Š| ||
| 295 | Q | 30.8 | Very low | 41.1 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 55% | 0.551 | 76% | 0.762 | S | S | * | * | trans | -77.2 | 126.1 | 168.9 | -169.6 | 177.6 | 2.9 | 0 | 0 | 107.7 | K293 L297 | K293-Q295 HydrophobicContact CG-CB 4.01Å; K293-Q295 PolarHBondContact O-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.16Å | ||
| 296 | P | 42.3 | Very low | 40.3 | Very low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -67.7 | 119.4 | 170.4 | 4.4 | 8.2 | 0 | 0 | 0 | 108 | T298 | P296-T298 VanDerWaalsContact C-N 3.28Å; P296-T298 PolarHBondContact O-N 3.24Å | ||
| 297 | L | 38.7 | Very low | 39.7 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | trans | -75.4 | 88.3 | 168.3 | -73.8 | 166.3 | 0 | 0 | 0 | 107.8 | Q295 | Q295-L297 PolarHBondContact O-N 3.16Š| ||
| 298 | T | 36.5 | Very low | 39.8 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -59.6 | 138.1 | 158.1 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | P296 | P296-T298 VanDerWaalsContact C-N 3.28Å; P296-T298 PolarHBondContact O-N 3.24Å | ||
| 299 | A | 46.1 | Very low | 39.3 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -44.2 | 156.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 300 | E | 44.6 | Very low | 38.5 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 94.4 | 61.1 | 174 | -52.3 | -61.3 | 95.9 | 0 | 0 | 118.1 | ||||
| 301 | Q | 36.9 | Very low | 38.1 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -144.2 | 63.6 | 144 | -126.8 | -110.5 | -79.3 | 0 | 0 | 110.9 | K303 | Q301-K303 PolarHBondContact O-N 3.38Å; Q301-K303 VanDerWaalsContact O-N 3.16Å | ||
| 302 | H | 40.7 | Very low | 37.7 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 98.8 | 164.2 | -152.3 | 96.5 | 0 | 0 | 0 | 108.4 | ||||
| 303 | K | 41 | Very low | 37.6 | Very low | 185 Ų | 185 | 147.2 Ų | 147.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 176 | 103.7 | 143.8 | -98.9 | 164.8 | -174.1 | -174.8 | 0 | 110 | Q301 | Q301-K303 PolarHBondContact O-N 3.38Å; Q301-K303 VanDerWaalsContact O-N 3.16Å |
| 304 | G | 39.7 | Very low | 37.5 | Very low | 74 Ų | 74 | 150.6 Ų | 150.6 | 76% | 0.763 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 108.1 | 69.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 305 | L | 35.9 | Very low | 37.2 | Very low | 155 Ų | 155 | 148.2 Ų | 148.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | -174.2 | 92.2 | 127.5 | -137.9 | 75.3 | 0 | 0 | 0 | 108.7 | V307 | L305-V307 VanDerWaalsContact C-N 3.32Å; L305-V307 HydrophobicContact CD2-CG2 3.71Å; L305-V307 HydrophobicContact CG-CG2 3.83Å; L305-V307 PolarHBondContact O-N 2.85Å; L305-V307 VanDerWaalsContact O-N 3.12Å | |||
| 306 | L | 38.1 | Very low | 37.3 | Very low | 152 Ų | 152 | 149 Ų | 149 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 93.6 | 162.4 | -165.2 | 165.1 | 0 | 0 | 0 | 105.8 | E308 | L306-E308 HydrophobicContact CD2-CB 4.49Š| ||
| 307 | V | 36.5 | Very low | 37.2 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 62% | 0.618 | 78% | 0.783 | S | S | * | * | trans | -116 | 90.3 | 164.9 | 174.6 | 0 | 0 | 0 | 0 | 107 | L305 S309 | L305-V307 VanDerWaalsContact C-N 3.32Å; L305-V307 HydrophobicContact CD2-CG2 3.71Å; L305-V307 HydrophobicContact CG-CG2 3.83Å; L305-V307 PolarHBondContact O-N 2.85Å; L305-V307 VanDerWaalsContact O-N 3.12Å; V307-S309 PolarHBondContact O-N 2.79Å | ||
| 308 | E | 36.4 | Very low | 37.3 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -38.7 | 113.6 | 162 | -160.1 | 81.2 | -167.1 | 0 | 0 | 110.3 | L306 | L306-E308 HydrophobicContact CD2-CB 4.49Š| ||
| 309 | S | 31.7 | Very low | 37.3 | Very low | 105 Ų | 105 | 146.7 Ų | 146.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -113.2 | 72.8 | 170.6 | -61.2 | 0 | 0 | 0 | 0 | 108.6 | V307 | V307-S309 PolarHBondContact O-N 2.79Š| ||
| 310 | Y | 28.1 | Very low | 36.8 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -82.6 | 117.4 | 171.5 | -161.7 | -92.8 | 0 | 0 | 0 | 108.7 | ||||
| 311 | W | 33.9 | Very low | 36.2 | Very low | 213 Ų | 213 | 150 Ų | 150 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -68.6 | 128.9 | 172.1 | -77 | 88.1 | 0 | 0 | 0 | 110.2 | F313 | W311-F313 PolarHBondContact O-N 3.12Š| ||
| 312 | P | 33.3 | Very low | 35.9 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -82.9 | 109.7 | 172.7 | 13.4 | 0.6 | 0 | 0 | 0 | 110.1 | ||||
| 313 | F | 35.1 | Very low | 35.4 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -74.9 | 144.9 | 151.9 | -78.5 | -89.7 | 0 | 0 | 0 | 109 | W311 | W311-F313 PolarHBondContact O-N 3.12Š| ||
| 314 | Y | 35.5 | Very low | 35.1 | Very low | 216 Ų | 216 | 142.4 Ų | 142.4 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 105 | 134 | 174.4 | -69.4 | -80.9 | 0 | 0 | 0 | 117.6 | ||
| 315 | P | 40.4 | Very low | 35.2 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 136.9 | 175.1 | 34.2 | -29.6 | 0 | 0 | 0 | 111.6 | ||
| 316 | T | 32.4 | Very low | 35.8 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 144.7 | 178.3 | -36.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 317 | P | 39.9 | Very low | 35.7 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 155.1 | -170.8 | -7.6 | 25.5 | 0 | 0 | 0 | 113.4 | ||
| 318 | S | 40.1 | Very low | 35.4 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134.9 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 113 | ||
| 319 | P | 36.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 141.7 | 158.6 | 32.2 | -21.7 | 0 | 0 | 0 | 111.5 | ||
| 320 | A | 36.5 | Very low | 35 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 149.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 321 | Y | 31.8 | Very low | 35.1 | Very low | 230 Ų | 230 | 147.6 Ų | 147.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -156.6 | 143.7 | 140.7 | -158.2 | -106.7 | 0 | 0 | 0 | 112.5 | ||||
| 322 | E | 30.8 | Very low | 35.2 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -73 | 151.6 | -176.7 | -80.4 | -127.6 | 112.5 | 0 | 0 | 115.2 | ||||
| 323 | D | 30.6 | Very low | 35.2 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | 55.6 | 121.5 | 129.6 | -149.3 | 14.5 | 0 | 0 | 0 | 122.9 | |||||
| 324 | S | 33.6 | Very low | 35.5 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | trans | 89.2 | 146.8 | 142.1 | -83.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 325 | P | 42.1 | Very low | 35.7 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -130.5 | -154.1 | -127.3 | 44.6 | -24.7 | 0 | 0 | 0 | 114 | |||||
| 326 | P | 49.1 | Very low | 35.7 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | -115.4 | -178.2 | -112.6 | 36.6 | -16.5 | 0 | 0 | 0 | 114.5 | |||||
| 327 | P | 35.6 | Very low | 35.9 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -115.8 | 124.9 | 154.6 | 31 | -16.7 | 0 | 0 | 0 | 113 | ||||
| 328 | Y | 30.9 | Very low | 35.7 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -48.8 | 163.6 | 164.1 | 52.7 | -106.7 | 0 | 0 | 0 | 113.8 | ||||
| 329 | K | 28.3 | Very low | 35.5 | Very low | 170 Ų | 170 | 150.2 Ų | 150.2 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | -172.6 | 164.4 | 61.2 | -100.2 | -97 | 178.4 | -176.5 | 0 | 111.2 | |||||
| 330 | L | 29.5 | Very low | 35.4 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | 98.8 | 127.8 | 159.2 | -60.5 | 167.6 | 0 | 0 | 0 | 114.2 | ||||
| 331 | K | 30.3 | Very low | 35.3 | Very low | 187 Ų | 187 | 154.8 Ų | 154.8 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | cis | -160.1 | 130.3 | 0.6 | -145 | 174.9 | -176.1 | -177.4 | 0 | 105.3 | ||||
| 332 | L | 35.8 | Very low | 35.5 | Very low | 154 Ų | 154 | 150.1 Ų | 150.1 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -69.5 | 137.9 | 168.5 | -97.1 | 82.1 | 0 | 0 | 0 | 108.9 | ||||
| 333 | D | 33.7 | Very low | 35.9 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -131.1 | 122.1 | 139.1 | -109.3 | -38.4 | 0 | 0 | 0 | 108.3 | ||||
| 334 | L | 42.1 | Very low | 36.2 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | trans | -117.5 | 107.6 | 179.5 | -169 | 85.5 | 0 | 0 | 0 | 105.8 | ||||
| 335 | T | 38.9 | Very low | 36.4 | Very low | 126 Ų | 126 | 155 Ų | 155 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -162.2 | 82.7 | 163.3 | 13.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 336 | T | 40.5 | Very low | 36 | Very low | 145 Ų | 145 | 158 Ų | 158 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | -172.9 | 106.8 | 124 | 29.3 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 337 | L | 36.9 | Very low | 34.8 | Very low | 241 Ų | 241 | 162.4 Ų | 162.4 | 100% | 1.262 | 84% | 0.835 | S | S | * | * | trans | -65.6 | 0 | 174.3 | -91.8 | 148.5 | 0 | 0 | 0 | 111.8 |
Retrieved 337 of 337 residues in 176.8 ms
(Link to these results)