| 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 | 59.6 | Low | 65.5 | Low | 214 Ų | 214 | 123.9 Ų | 123.9 | 100% | 1.054 | 64% | 0.643 | S | S | * | * | 0 | 9.7 | 0 | -70.4 | -172.6 | -102.8 | 0 | 0 | 115.4 | |||||
| 2 | K | 56.8 | Low | 65.7 | Low | 188 Ų | 188 | 125.2 Ų | 125.2 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | trans | -109.4 | -34.5 | 178.5 | -69.9 | 155.5 | 175.6 | 174.8 | 0 | 112.6 | L4 R5 | K2-L4 VanDerWaalsContact C-N 3.34Å; K2-L4 PolarHBondContact O-N 2.87Å; K2-R5 PolarHBondContact O-N 3.19Å | ||
| 3 | A | 58.7 | Low | 65.6 | Low | 76 Ų | 76 | 127.2 Ų | 127.2 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -61.8 | -37.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R5 A6 V7 | A3-R5 VanDerWaalsContact C-N 3.28Å; A3-R5 PolarHBondContact O-N 3.23Å; A3-A6 PolarHBondContact O-N 3.31Å; A3-V7 WeakPolarHBondContact O-CG2 3.45Å; A3-V7 PolarHBondContact O-N 3.32Å |
| 4 | L | 62.7 | Low | 65.5 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.8 | -33 | 179.9 | -64.1 | 171.3 | 0 | 0 | 0 | 113.1 | K2 L8 | K2-L4 VanDerWaalsContact C-N 3.34Å; K2-L4 PolarHBondContact O-N 2.87Å; L4-L8 PolarHBondContact O-N 3.1Å; L4-L8 VanDerWaalsContact O-N 3.15Å |
| 5 | R | 66.6 | Low | 64.8 | Low | 190 Ų | 190 | 119.3 Ų | 119.3 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.3 | -38.8 | 177.9 | -76.5 | -167.1 | 170 | -159.3 | -2.5 | 112 | K2 A3 V7 L8 L9 | K2-R5 PolarHBondContact O-N 3.19Å; A3-R5 VanDerWaalsContact C-N 3.28Å; A3-R5 PolarHBondContact O-N 3.23Å; R5-V7 VanDerWaalsContact C-N 3.34Å; R5-L8 PolarHBondContact O-N 3.43Å; R5-L9 WeakPolarHBondContact O-CG 3.33Å; R5-L9 PolarHBondContact O-N 3.35Å |
| 6 | A | 72.1 | Confident | 64.2 | Low | 51 Ų | 51 | 123.1 Ų | 123.1 | 42% | 0.421 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -65.5 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A3 L9 I10 | A3-A6 PolarHBondContact O-N 3.31Å; A6-L9 PolarHBondContact O-N 3.06Å; A6-I10 WeakPolarHBondContact O-CG1 3.38Å; A6-I10 PolarHBondContact O-N 3.5Å; A6-I10 VanDerWaalsContact O-N 3.15Å |
| 7 | V | 67.4 | Low | 63.6 | Low | 85 Ų | 85 | 123.7 Ų | 123.7 | 52% | 0.515 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -64.6 | -41.7 | 177.4 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | A3 R5 L9 I10 L11 | A3-V7 WeakPolarHBondContact O-CG2 3.45Å; A3-V7 PolarHBondContact O-N 3.32Å; R5-V7 VanDerWaalsContact C-N 3.34Å; V7-L9 PolarHBondContact O-N 3.1Å; V7-I10 PolarHBondContact O-N 3.41Å; V7-L11 HydrophobicContact CG1-CD1 4.31Å; V7-L11 WeakPolarHBondContact O-CG 3.42Å; V7-L11 PolarHBondContact O-N 3.14Å; V7-L11 VanDerWaalsContact O-N 3.08Å |
| 8 | L | 68.9 | Low | 62.5 | Low | 107 Ų | 107 | 120.4 Ų | 120.4 | 56% | 0.56 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -62.5 | -41.3 | 176.6 | -83.2 | 164.8 | 0 | 0 | 0 | 113 | L4 R5 I10 L11 L12 | L4-L8 PolarHBondContact O-N 3.1Å; L4-L8 VanDerWaalsContact O-N 3.15Å; R5-L8 PolarHBondContact O-N 3.43Å; L8-I10 VanDerWaalsContact C-N 3.33Å; L8-L11 PolarHBondContact O-N 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 3.36Å; L8-L12 VanDerWaalsContact O-N 3.12Å |
| 9 | L | 70.8 | Confident | 61.7 | Low | 106 Ų | 106 | 120.4 Ų | 120.4 | 56% | 0.555 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.9 | -38.6 | 178.7 | -70.2 | 171.5 | 0 | 0 | 0 | 111.6 | R5 A6 V7 L12 L13 | R5-L9 WeakPolarHBondContact O-CG 3.33Å; R5-L9 PolarHBondContact O-N 3.35Å; A6-L9 PolarHBondContact O-N 3.06Å; V7-L9 PolarHBondContact O-N 3.1Å; L9-L12 PolarHBondContact O-N 3.19Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 VanDerWaalsContact O-CD1 3.31Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 VanDerWaalsContact O-CG 3.24Å; L9-L13 WeakPolarHBondContact O-CG 3.08Å; L9-L13 PolarHBondContact O-N 2.9Å; L9-L13 VanDerWaalsContact O-N 3.13Å |
| 10 | I | 71.4 | Confident | 60.6 | Low | 109 Ų | 109 | 118.2 Ų | 118.2 | 56% | 0.559 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64 | -46.6 | 175.9 | -65.7 | 165.7 | 0 | 0 | 0 | 110.1 | A6 V7 L8 L12 L13 S14 | A6-I10 WeakPolarHBondContact O-CG1 3.38Å; A6-I10 PolarHBondContact O-N 3.5Å; A6-I10 VanDerWaalsContact O-N 3.15Å; V7-I10 PolarHBondContact O-N 3.41Å; L8-I10 VanDerWaalsContact C-N 3.33Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 2.95Å; I10-L13 PolarHBondContact O-N 3.46Å; I10-L13 VanDerWaalsContact O-N 3.07Å; I10-S14 WeakPolarHBondContact O-CB 3.44Å; I10-S14 PolarHBondContact O-N 3.15Å; I10-S14 PolarHBondContact O-OG 3.12Å |
| 11 | L | 65.4 | Low | 59.7 | Low | 112 Ų | 112 | 124.5 Ų | 124.5 | 59% | 0.586 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -58.4 | -40.2 | 178.2 | -73.9 | 168.6 | 0 | 0 | 0 | 113.2 | V7 L8 L13 G15 | V7-L11 HydrophobicContact CG1-CD1 4.31Å; V7-L11 WeakPolarHBondContact O-CG 3.42Å; V7-L11 PolarHBondContact O-N 3.14Å; V7-L11 VanDerWaalsContact O-N 3.08Å; L8-L11 PolarHBondContact O-N 3.4Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-G15 PolarHBondContact O-N 3.15Å |
| 12 | L | 67.8 | Low | 59 | Low | 139 Ų | 139 | 119.3 Ų | 119.3 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -66.1 | -35.5 | 176.1 | -73.9 | 165.4 | 0 | 0 | 0 | 112.3 | L8 L9 I10 | L8-L12 WeakPolarHBondContact O-CG 3.31Å; L8-L12 PolarHBondContact O-N 3.36Å; L8-L12 VanDerWaalsContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 3.19Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 2.95Å |
| 13 | L | 64.9 | Low | 58.3 | Low | 152 Ų | 152 | 118.9 Ų | 118.9 | 80% | 0.796 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -83.6 | -24.7 | -177.9 | -69.9 | 163.3 | 0 | 0 | 0 | 113 | L9 I10 L11 | L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 VanDerWaalsContact O-CD1 3.31Å; L9-L13 WeakPolarHBondContact O-CD1 3.48Å; L9-L13 VanDerWaalsContact O-CG 3.24Å; L9-L13 WeakPolarHBondContact O-CG 3.08Å; L9-L13 PolarHBondContact O-N 2.9Å; L9-L13 VanDerWaalsContact O-N 3.13Å; I10-L13 PolarHBondContact O-N 3.46Å; I10-L13 VanDerWaalsContact O-N 3.07Å; L11-L13 VanDerWaalsContact C-N 3.33Å |
| 14 | S | 64 | Low | 57.4 | Low | 75 Ų | 75 | 123.6 Ų | 123.6 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -99.1 | 6.2 | -179.1 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | I10 Q16 | I10-S14 WeakPolarHBondContact O-CB 3.44Å; I10-S14 PolarHBondContact O-N 3.15Å; I10-S14 PolarHBondContact O-OG 3.12Å; S14-Q16 PolarHBondContact O-N 2.81Å |
| 15 | G | 55.1 | Low | 56.5 | Low | 60 Ų | 60 | 124.2 Ų | 124.2 | 62% | 0.619 | 71% | 0.705 | S | S | * | * | trans | -73.2 | 86.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L11 | L11-G15 PolarHBondContact O-N 3.15Š| ||
| 16 | Q | 55.3 | Low | 55 | Low | 181 Ų | 181 | 118.9 Ų | 118.9 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | trans | -61.1 | 141.3 | 170.3 | -81.7 | -174.9 | 0.8 | 0 | 0 | 111.2 | S14 G18 | S14-Q16 PolarHBondContact O-N 2.81Å; Q16-G18 PolarHBondContact O-N 2.84Å | ||
| 17 | P | 53.6 | Low | 54 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -78.3 | 110.7 | 169.4 | 31.4 | -28.1 | 0 | 0 | 0 | 108.5 | ||||
| 18 | G | 44.6 | Very low | 53 | Low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | -137.9 | 96.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q16 | Q16-G18 PolarHBondContact O-N 2.84Š| ||
| 19 | S | 46.1 | Very low | 52.3 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 22.2 | 119.8 | 153.5 | 62.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 20 | G | 40.3 | Very low | 51.3 | Low | 76 Ų | 76 | 127.1 Ų | 127.1 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | -158.3 | 83.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A22 | G20-A22 PolarHBondContact O-N 2.79Š| ||
| 21 | W | 41.5 | Very low | 50.4 | Low | 251 Ų | 251 | 128.2 Ų | 128.2 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | -66.8 | 125.6 | 168.7 | -69.5 | 36.7 | 0 | 0 | 0 | 108 | ||||
| 22 | A | 45 | Very low | 49.7 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -143.7 | 110.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | G20 | G20-A22 PolarHBondContact O-N 2.79Š| ||
| 23 | Q | 42.4 | Very low | 48.9 | Very low | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -101.9 | 131.3 | 175.7 | 172.9 | 164.3 | -26.6 | 0 | 0 | 108.4 | ||||
| 24 | E | 40.1 | Very low | 48.6 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | 173 | 137.2 | 153.6 | -99.1 | -171.7 | 33 | 0 | 0 | 105.1 | ||||
| 25 | D | 42.8 | Very low | 48 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | cis | -161.3 | 141.4 | -9.4 | -93.8 | -30.4 | 0 | 0 | 0 | 105.2 | ||||
| 26 | G | 36.5 | Very low | 48.2 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -177.2 | 71.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A28 | G26-A28 PolarHBondContact O-N 2.78Š| ||
| 27 | D | 50.6 | Low | 48.2 | Very low | 173 Ų | 173 | 135 Ų | 135 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -38.5 | 112.2 | 173.6 | -162 | -112 | 0 | 0 | 0 | 113.8 | ||||
| 28 | A | 45.5 | Very low | 48.6 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | trans | -168.6 | 97.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G26 | G26-A28 PolarHBondContact O-N 2.78Š| ||
| 29 | D | 53.9 | Low | 49.3 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -102.4 | 138 | 158.4 | -170.5 | 45.3 | 0 | 0 | 0 | 106.7 | E31 | D29-E31 PolarHBondContact OD1-N 3.34Š| ||
| 30 | P | 50 | Low | 50 | Low | 116 Ų | 116 | 139.7 Ų | 139.7 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | -132.8 | 132.8 | 73.9 | 22.9 | -0.9 | 0 | 0 | 0 | 115.6 | |||||
| 31 | E | 52.5 | Low | 51 | Low | 133 Ų | 133 | 141.3 Ų | 141.3 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | trans | 75.7 | 103.5 | 134.4 | -150.4 | 167.4 | 128.8 | 0 | 0 | 117.9 | D29 E33 | D29-E31 PolarHBondContact OD1-N 3.34Å; E31-E33 PolarHBondContact O-N 3.09Å | ||
| 32 | P | 50.7 | Low | 51.9 | Low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -81.3 | 105.7 | 157.6 | 30.9 | -26.2 | 0 | 0 | 0 | 108.5 | N34 | P32-N34 PolarHBondContact O-N 3.32Å; P32-N34 VanDerWaalsContact O-N 3.1Å | ||
| 33 | E | 52.2 | Low | 52.7 | Low | 125 Ų | 125 | 138.5 Ų | 138.5 | 58% | 0.584 | 74% | 0.736 | S | S | * | * | trans | -47.2 | 117.8 | 166.1 | -57 | -73.9 | 172.2 | 0 | 0 | 109.5 | E31 Y35 | E31-E33 PolarHBondContact O-N 3.09Å; E33-Y35 HydrophobicContact CB-CD2 4.46Å; E33-Y35 HydrophobicContact CB-CE2 3.94Å; E33-Y35 PolarHBondContact O-N 3.5Å | ||
| 34 | N | 58.2 | Low | 53.3 | Low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | trans | -64.6 | 113.2 | 174 | 167 | 6.6 | 0 | 0 | 0 | 109.8 | P32 N36 | P32-N34 PolarHBondContact O-N 3.32Å; P32-N34 VanDerWaalsContact O-N 3.1Å; N34-N36 PolarHBondContact OD1-N 2.83Å | ||
| 35 | Y | 51.8 | Low | 54.1 | Low | 170 Ų | 170 | 137.5 Ų | 137.5 | 67% | 0.667 | 73% | 0.732 | S | S | * | * | trans | -128 | 81.5 | 154.6 | -61.5 | -65.6 | 0 | 0 | 0 | 109.7 | E33 Y37 | E33-Y35 HydrophobicContact CB-CD2 4.46Å; E33-Y35 HydrophobicContact CB-CE2 3.94Å; E33-Y35 PolarHBondContact O-N 3.5Å; Y35-Y37 HydrophobicContact CD1-CE2 4.14Å; Y35-Y37 HydrophobicContact CG-CE2 4.23Å; Y35-Y37 PolarHBondContact O-N 3.08Å; Y35-Y37 VanDerWaalsContact O-N 3.15Å | ||
| 36 | N | 58.5 | Low | 54.6 | Low | 124 Ų | 124 | 138.8 Ų | 138.8 | 66% | 0.663 | 73% | 0.733 | S | S | * | * | trans | -58.5 | 102.8 | 153.6 | -178.4 | 74.3 | 0 | 0 | 0 | 109 | N34 | N34-N36 PolarHBondContact OD1-N 2.83Š| ||
| 37 | Y | 56.1 | Low | 55.7 | Low | 193 Ų | 193 | 142.7 Ų | 142.7 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | trans | -111.3 | 111.1 | 159 | -75.1 | -72.4 | 0 | 0 | 0 | 107.6 | Y35 | Y35-Y37 HydrophobicContact CD1-CE2 4.14Å; Y35-Y37 HydrophobicContact CG-CE2 4.23Å; Y35-Y37 PolarHBondContact O-N 3.08Å; Y35-Y37 VanDerWaalsContact O-N 3.15Å | ||
| 38 | D | 61.8 | Low | 55.7 | Low | 130 Ų | 130 | 141.6 Ų | 141.6 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | trans | -46 | 137.6 | 172.9 | -119.7 | -32.4 | 0 | 0 | 0 | 110.6 | D40 | D38-D40 PolarHBondContact O-N 3.34Š| ||
| 39 | D | 59.7 | Low | 56 | Low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | -70.1 | 92.7 | 166.1 | -175.1 | 37.7 | 0 | 0 | 0 | 107.7 | ||||
| 40 | D | 60.9 | Low | 56 | Low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | trans | -111.5 | 80.6 | 156.5 | -87 | -44.8 | 0 | 0 | 0 | 107.2 | D38 D42 | D38-D40 PolarHBondContact O-N 3.34Å; D40-D42 VanDerWaalsContact C-N 3.3Å; D40-D42 PolarHBondContact O-N 3.45Å; D40-D42 VanDerWaalsContact O-N 3.09Å | ||
| 41 | D | 60.9 | Low | 56.3 | Low | 111 Ų | 111 | 143.1 Ų | 143.1 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | -61.5 | 85.5 | 160.6 | -167.3 | 32.1 | 0 | 0 | 0 | 109.3 | E43 | D41-E43 WeakPolarHBondContact OD1-CG 3.47Š| ||
| 42 | D | 60 | Low | 56.6 | Low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | trans | -104.5 | 85.1 | 156.9 | -96.2 | -41.6 | 0 | 0 | 0 | 107.6 | D40 E44 | D40-D42 VanDerWaalsContact C-N 3.3Å; D40-D42 PolarHBondContact O-N 3.45Å; D40-D42 VanDerWaalsContact O-N 3.09Å; D42-E44 PolarHBondContact O-N 3.12Å | ||
| 43 | E | 61.1 | Low | 56.3 | Low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | trans | -55.7 | 79 | 159.6 | -69.1 | -176.7 | 158.4 | 0 | 0 | 109.9 | D41 E45 | D41-E43 WeakPolarHBondContact OD1-CG 3.47Å; E43-E45 PolarHBondContact O-N 3.38Å; E43-E45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | E | 55.7 | Low | 56.4 | Low | 158 Ų | 158 | 138.7 Ų | 138.7 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | trans | -80.3 | 81.5 | 153.8 | -65 | -146.5 | -163.8 | 0 | 0 | 107.2 | D42 E46 | D42-E44 PolarHBondContact O-N 3.12Å; E44-E46 PolarHBondContact O-N 2.87Å | ||
| 45 | E | 56.7 | Low | 56.4 | Low | 175 Ų | 175 | 136 Ų | 136 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -55.4 | 86.6 | 151.7 | -79.2 | -164.2 | 156 | 0 | 0 | 106.8 | E43 E47 | E43-E45 PolarHBondContact O-N 3.38Å; E43-E45 VanDerWaalsContact O-N 3.09Å; E45-E47 PolarHBondContact O-N 3.07Å | ||
| 46 | E | 54.5 | Low | 56.6 | Low | 165 Ų | 165 | 140 Ų | 140 | 77% | 0.771 | 71% | 0.711 | S | S | * | * | trans | -66.3 | 86.4 | 160.7 | -62.3 | -149.3 | -142.7 | 0 | 0 | 105.9 | E44 E48 | E44-E46 PolarHBondContact O-N 2.87Å; E46-E48 PolarHBondContact O-N 2.67Å | ||
| 47 | E | 58.1 | Low | 56.6 | Low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -55.4 | 92.1 | 158.3 | -167.1 | -171 | -171.1 | 0 | 0 | 104.7 | E45 T49 | E45-E47 PolarHBondContact O-N 3.07Å; E47-T49 HydrophobicContact CB-CG2 4.36Å; E47-T49 HydrophobicContact CG-CG2 3.87Å; E47-T49 PolarHBondContact O-N 3.13Å | ||
| 48 | E | 50.8 | Low | 57.2 | Low | 150 Ų | 150 | 139.9 Ų | 139.9 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -66.9 | 81.9 | 174.6 | -164.7 | -165 | 141.6 | 0 | 0 | 106.5 | E46 N50 | E46-E48 PolarHBondContact O-N 2.67Å; E48-N50 HydrophobicContact CG-CB 3.68Å; E48-N50 WeakPolarHBondContact CG-ND2 3.46Å; E48-N50 PolarHBondContact O-N 2.89Å; E48-N50 WeakPolarHBondContact OE1-CB 3.24Å; E48-N50 VanDerWaalsContact OE1-CG 3.25Å; E48-N50 PolarHBondContact OE1-ND2 2.76Å | ||
| 49 | T | 51.3 | Low | 57.9 | Low | 98 Ų | 98 | 137 Ų | 137 | 60% | 0.601 | 71% | 0.706 | S | S | * | * | trans | -70.9 | 30.5 | 170.2 | 60.9 | 0 | 0 | 0 | 0 | 111 | E47 M51 | E47-T49 HydrophobicContact CB-CG2 4.36Å; E47-T49 HydrophobicContact CG-CG2 3.87Å; E47-T49 PolarHBondContact O-N 3.13Å; T49-M51 PolarHBondContact O-N 3.49Å | ||
| 50 | N | 55.5 | Low | 58.9 | Low | 111 Ų | 111 | 134 Ų | 134 | 59% | 0.594 | 70% | 0.695 | S | S | * | * | trans | -73.1 | 36.7 | 176 | -69.3 | -5.2 | 0 | 0 | 0 | 112.1 | E48 I52 | E48-N50 HydrophobicContact CG-CB 3.68Å; E48-N50 WeakPolarHBondContact CG-ND2 3.46Å; E48-N50 PolarHBondContact O-N 2.89Å; E48-N50 WeakPolarHBondContact OE1-CB 3.24Å; E48-N50 VanDerWaalsContact OE1-CG 3.25Å; E48-N50 PolarHBondContact OE1-ND2 2.76Å; N50-I52 PolarHBondContact O-N 2.06Å | ||
| 51 | M | 54.6 | Low | 60.1 | Low | 172 Ų | 172 | 129 Ų | 129 | 85% | 0.847 | 67% | 0.667 | S | S | * | * | trans | -66.1 | 85.6 | 157.2 | -66.6 | -146.6 | -171.5 | 0 | 0 | 107.9 | T49 P53 | T49-M51 PolarHBondContact O-N 3.49Å; M51-P53 WeakPolarHBondContact O-CD 3.46Å | ||
| 52 | I | 60.3 | Low | 61.5 | Low | 96 Ų | 96 | 127 Ų | 127 | 49% | 0.492 | 65% | 0.654 | S | S | . | * | trans | -54.4 | 111.8 | 171.3 | -57.7 | 169.8 | 0 | 0 | 0 | 107 | N50 G54 | N50-I52 PolarHBondContact O-N 2.06Å; I52-G54 PolarHBondContact O-N 2.73Å | ||
| 53 | P | 44.8 | Very low | 62.8 | Low | 132 Ų | 132 | 120.7 Ų | 120.7 | 86% | 0.857 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 100.2 | -177.6 | -12.6 | 28.1 | 0 | 0 | 0 | 107.7 | M51 | M51-P53 WeakPolarHBondContact O-CD 3.46Š|
| 54 | G | 52.5 | Low | 64.1 | Low | 57 Ų | 57 | 117.8 Ų | 117.8 | 59% | 0.588 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 153.4 | -0.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | I52 R56 | I52-G54 PolarHBondContact O-N 2.73Å; G54-R56 PolarHBondContact O-N 2.86Å; G54-R56 VanDerWaalsContact O-N 3.1Å |
| 55 | S | 58.2 | Low | 65.6 | Low | 73 Ų | 73 | 115.4 Ų | 115.4 | 51% | 0.51 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -69.5 | -4.1 | -175.2 | -166.9 | 0 | 0 | 0 | 0 | 115.7 | D57 R58 | S55-D57 PolarHBondContact O-N 3.17Å; S55-D57 VanDerWaalsContact O-N 3.1Å; S55-R58 PolarHBondContact O-N 2.02Å; S55-R58 VanDerWaalsContact O-N 3.14Å |
| 56 | R | 56 | Low | 66.9 | Low | 254 Ų | 254 | 108.2 Ų | 108.2 | 96% | 0.958 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -64 | -15.4 | 178.7 | -97.6 | 175 | 78.4 | 176.3 | 3.5 | 114.2 | G54 | G54-R56 PolarHBondContact O-N 2.86Å; G54-R56 VanDerWaalsContact O-N 3.1Å |
| 57 | D | 58.1 | Low | 68.2 | Low | 161 Ų | 161 | 108.2 Ų | 108.2 | 86% | 0.861 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -113.3 | 6.2 | 176.9 | -115 | -80.4 | 0 | 0 | 0 | 113.6 | S55 A59 | S55-D57 PolarHBondContact O-N 3.17Å; S55-D57 VanDerWaalsContact O-N 3.1Å; D57-A59 PolarHBondContact O-N 3.34Å |
| 58 | R | 70.2 | Confident | 69.2 | Low | 152 Ų | 152 | 103.4 Ų | 103.4 | 57% | 0.574 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -76.5 | 126.4 | 174.8 | -72.4 | -174.2 | -178.6 | -167.8 | 0.4 | 108.9 | S55 | S55-R58 PolarHBondContact O-N 2.02Å; S55-R58 VanDerWaalsContact O-N 3.14Å |
| 59 | A | 76 | Confident | 70.6 | Confident | 69 Ų | 69 | 97.4 Ų | 97.4 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 140.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | D57 L61 | D57-A59 PolarHBondContact O-N 3.34Å; A59-L61 PolarHBondContact O-N 3Å |
| 60 | P | 81.6 | Confident | 71.8 | Confident | 76 Ų | 76 | 96.2 Ų | 96.2 | 49% | 0.494 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 135.1 | -178.1 | 21.4 | -31 | 0 | 0 | 0 | 110.2 | Q62 R110 | P60-Q62 PolarHBondContact O-N 3.36Å; P60-R110 PolarHBondContact O-NH1 3.05Å; P60-R110 VanDerWaalsContact O-NH1 3.09Å |
| 61 | L | 84.8 | Confident | 72.8 | Confident | 41 Ų | 41 | 95.7 Ų | 95.7 | 22% | 0.215 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 130.8 | 174.3 | -178.6 | 65.6 | 0 | 0 | 0 | 108.2 | A59 S80 C81 C88 R110 | A59-L61 PolarHBondContact O-N 3Å; L61-S80 CarbonylContact O-C 3.46Å; L61-S80 WeakPolarHBondContact O-CA 2.94Å; L61-C81 HydrophobicContact CB-CB 4.31Å; L61-C81 PolarHBondContact O-N 3.4Å; L61-C88 WeakPolarHBondContact CD2-SG 3.28Å; L61-R110 HydrophobicContact CD1-CB 4.32Å |
| 62 | Q | 89.7 | Confident | 73.9 | Confident | 69 Ų | 69 | 91.8 Ų | 91.8 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.5 | 175 | -78.1 | -163.4 | 81.6 | 0 | 0 | 109.2 | P60 Q79 S108 | P60-Q62 PolarHBondContact O-N 3.36Å; Q62-Q79 WeakPolarHBondContact CA-O 3.05Å; Q62-S108 PolarHBondContact O-OG 3.1Å; Q62-S108 VanDerWaalsContact O-OG 3.05Å |
| 63 | C | 88 | Confident | 75 | Confident | 11 Ų | 11 | 92.1 Ų | 92.1 | 7% | 0.074 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149 | -177.5 | -50.2 | 0 | 0 | 0 | 0 | 113.4 | T78 Q79 C81 C88 S108 | C63-T78 CarbonylContact O-C 3.56Å; C63-T78 WeakPolarHBondContact O-CA 3.3Å; C63-Q79 PolarHBondContact N-O 3.46Å; C63-Q79 PolarHBondContact O-N 2.81Å; C63-C81 PolarHBondContact SG-SG 2.98Å; C63-C88 HydrophobicContact CB-CB 3.92Å; C63-C88 WeakPolarHBondContact CB-SG 3.37Å; C63-C88 WeakPolarHBondContact SG-CB 3.35Å; C63-C88 CovalentContact SG-SG 2.06Å; C63-C88 PolarHBondContact SG-SG 2.99Å; C63-S108 WeakPolarHBondContact CA-OG 3.19Å; C63-S108 WeakPolarHBondContact CB-OG 3.07Å; C63-S108 VanDerWaalsContact SG-CB 3.6Å; C63-S108 PolarHBondContact SG-OG 2.77Å |
| 64 | Y | 89.3 | Confident | 76.9 | Confident | 93 Ų | 93 | 90.1 Ų | 90.1 | 37% | 0.365 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133.9 | 169.7 | -66.9 | -77.9 | 0 | 0 | 0 | 110 | C75 Q77 T78 T107 | Y64-C75 WeakPolarHBondContact CD1-O 3.18Å; Y64-C75 WeakPolarHBondContact CE1-O 3.4Å; Y64-Q77 CarbonylContact C-O 3.42Å; Y64-Q77 VanDerWaalsContact CA-O 3.23Å; Y64-Q77 WeakPolarHBondContact CA-O 3.41Å; Y64-T78 HydrophobicContact CD1-CG2 3.66Å; Y64-T78 HydrophobicContact CE1-CG2 3.59Å; Y64-T78 HydrophobicContact CG-CG2 4.3Å; Y64-T107 WeakPolarHBondContact CB-O 3.42Å; Y64-T107 PolarHBondContact N-O 2.77Å |
| 65 | F | 85.8 | Confident | 78.5 | Confident | 109 Ų | 109 | 88.3 Ų | 88.3 | 48% | 0.478 | 48% | 0.478 | S | S | . | . | trans | -126.1 | 105.8 | 179.8 | -168.8 | -91.4 | 0 | 0 | 0 | 109.9 | Q77 Q79 | F65-Q77 PolarHBondContact N-O 2.75Å; F65-Q79 HydrophobicContact CB-CB 4.38Å | ||
| 66 | C | 85.8 | Confident | 80 | Confident | 23 Ų | 23 | 90.8 Ų | 90.8 | 16% | 0.155 | 49% | 0.485 | C | S | . | . | trans | -137.1 | 137.2 | 175.4 | -73.9 | 0 | 0 | 0 | 0 | 109 | C75 | C66-C75 HydrophobicContact CB-CB 3.94Å; C66-C75 WeakPolarHBondContact CB-SG 3.19Å; C66-C75 WeakPolarHBondContact SG-CB 3.36Å; C66-C75 CovalentContact SG-SG 2.02Å; C66-C75 PolarHBondContact SG-SG 2.75Å | ||
| 67 | Q | 80.8 | Confident | 81.5 | Confident | 166 Ų | 166 | 85.5 Ų | 85.5 | 78% | 0.776 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -76.5 | -49.9 | -178.4 | -74.9 | 177 | 66.5 | 0 | 0 | 111.9 | F104 | Q67-F104 WeakPolarHBondContact O-CD1 3.02Å; Q67-F104 WeakPolarHBondContact O-CE1 3.49Å |
| 68 | V | 79.5 | Confident | 82.9 | Confident | 58 Ų | 58 | 81.4 Ų | 81.4 | 35% | 0.352 | 45% | 0.453 | S | S | . | . | trans | -142.7 | 131.1 | -176.1 | 166.6 | 0 | 0 | 0 | 0 | 106.3 | L102 F104 | V68-L102 HydrophobicContact CB-CD2 4.31Å; V68-L102 HydrophobicContact CG1-CB 4.49Å; V68-L102 HydrophobicContact CG1-CD2 3.17Å; V68-L102 HydrophobicContact CG1-CG 4.39Å; V68-L102 HydrophobicContact CG2-CD2 4.13Å; V68-F104 HydrophobicContact CB-CE1 4.43Å; V68-F104 HydrophobicContact CG2-CD1 4.07Å; V68-F104 HydrophobicContact CG2-CE1 3.34Å; V68-F104 HydrophobicContact CG2-CZ 3.88Å | ||
| 69 | L | 80.4 | Confident | 83.8 | Confident | 24 Ų | 24 | 79.9 Ų | 79.9 | 13% | 0.126 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -125 | 129 | 172.6 | -154.7 | 71.2 | 0 | 0 | 0 | 108.5 | E73 C75 S103 | L69-E73 HydrophobicContact CD1-CB 3.59Å; L69-E73 WeakPolarHBondContact CD2-O 3.08Å; L69-E73 HydrophobicContact CG-CB 3.79Å; L69-C75 HydrophobicContact CD1-CB 4.46Å; L69-C75 HydrophobicContact CD2-CB 4.34Å; L69-S103 PolarHBondContact O-N 3.34Å; L69-S103 VanDerWaalsContact O-O 3.06Å |
| 70 | H | 76.4 | Confident | 84.5 | Confident | 73 Ų | 73 | 79.7 Ų | 79.7 | 34% | 0.338 | 45% | 0.446 | S | S | . | . | trans | -82.5 | 158.4 | 169.5 | -55.9 | 108.8 | 0 | 0 | 0 | 110.3 | G72 E73 | H70-G72 PolarHBondContact O-N 2.7Å; H70-E73 WeakPolarHBondContact CA-OE2 3.23Å; H70-E73 HydrophobicContact CB-CG 4.25Å; H70-E73 WeakPolarHBondContact CB-OE2 3.22Å; H70-E73 IonicContact CG-OE2 3.88Å; H70-E73 PolarHBondContact N-OE2 2.81Å; H70-E73 IonicContact ND1-OE1 2.98Å; H70-E73 IonicContact ND1-OE2 3.4Å; H70-E73 PolarHBondContact ND1-OE2 3.01Å; H70-E73 WeakPolarHBondContact O-CB 3.34Å; H70-E73 PolarHBondContact O-N 3.05Å | ||
| 71 | S | 75.6 | Confident | 84.7 | Confident | 101 Ų | 101 | 77.9 Ų | 77.9 | 71% | 0.706 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 124.3 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 72 | G | 78.7 | Confident | 84.8 | Confident | 89 Ų | 89 | 79.2 Ų | 79.2 | 92% | 0.918 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -7.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | H70 | H70-G72 PolarHBondContact O-N 2.7Š|
| 73 | E | 83.8 | Confident | 84.5 | Confident | 103 Ų | 103 | 82.1 Ų | 82.1 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | trans | -80.8 | 153.1 | 169.2 | -62.3 | -178.4 | 128.9 | 0 | 0 | 110.6 | L69 H70 | L69-E73 HydrophobicContact CD1-CB 3.59Å; L69-E73 WeakPolarHBondContact CD2-O 3.08Å; L69-E73 HydrophobicContact CG-CB 3.79Å; H70-E73 WeakPolarHBondContact CA-OE2 3.23Å; H70-E73 HydrophobicContact CB-CG 4.25Å; H70-E73 WeakPolarHBondContact CB-OE2 3.22Å; H70-E73 IonicContact CG-OE2 3.88Å; H70-E73 PolarHBondContact N-OE2 2.81Å; H70-E73 IonicContact ND1-OE1 2.98Å; H70-E73 IonicContact ND1-OE2 3.4Å; H70-E73 PolarHBondContact ND1-OE2 3.01Å; H70-E73 WeakPolarHBondContact O-CB 3.34Å; H70-E73 PolarHBondContact O-N 3.05Å | ||
| 74 | S | 83.8 | Confident | 84.3 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 63% | 0.629 | 50% | 0.501 | S | S | * | . | trans | -116.6 | 136.7 | 176 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | N76 | S74-N76 PolarHBondContact OG-ND2 3.3Š| ||
| 75 | C | 86.9 | Confident | 84 | Confident | 20 Ų | 20 | 87.1 Ų | 87.1 | 14% | 0.135 | 51% | 0.509 | C | S | . | . | trans | -90.6 | 118.6 | 174.8 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | Y64 C66 L69 | Y64-C75 WeakPolarHBondContact CD1-O 3.18Å; Y64-C75 WeakPolarHBondContact CE1-O 3.4Å; C66-C75 HydrophobicContact CB-CB 3.94Å; C66-C75 WeakPolarHBondContact CB-SG 3.19Å; C66-C75 WeakPolarHBondContact SG-CB 3.36Å; C66-C75 CovalentContact SG-SG 2.02Å; C66-C75 PolarHBondContact SG-SG 2.75Å; L69-C75 HydrophobicContact CD1-CB 4.46Å; L69-C75 HydrophobicContact CD2-CB 4.34Å | ||
| 76 | N | 89 | Confident | 83.8 | Confident | 124 Ų | 124 | 86.8 Ų | 86.8 | 66% | 0.663 | 52% | 0.518 | S | S | * | . | trans | -118.5 | 1.8 | 179.7 | -62.3 | -70.4 | 0 | 0 | 0 | 113.2 | S74 | S74-N76 PolarHBondContact OG-ND2 3.3Š| ||
| 77 | Q | 86.8 | Confident | 83.6 | Confident | 143 Ų | 143 | 92 Ų | 92 | 67% | 0.668 | 54% | 0.538 | S | S | * | . | trans | -86 | 121 | 177 | -90.9 | -176.5 | 92.4 | 0 | 0 | 110 | Y64 F65 | Y64-Q77 CarbonylContact C-O 3.42Å; Y64-Q77 VanDerWaalsContact CA-O 3.23Å; Y64-Q77 WeakPolarHBondContact CA-O 3.41Å; F65-Q77 PolarHBondContact N-O 2.75Å | ||
| 78 | T | 88.8 | Confident | 83.9 | Confident | 76 Ų | 76 | 85.3 Ų | 85.3 | 47% | 0.466 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 148.2 | 173.9 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | C63 Y64 | C63-T78 CarbonylContact O-C 3.56Å; C63-T78 WeakPolarHBondContact O-CA 3.3Å; Y64-T78 HydrophobicContact CD1-CG2 3.66Å; Y64-T78 HydrophobicContact CE1-CG2 3.59Å; Y64-T78 HydrophobicContact CG-CG2 4.3Å |
| 79 | Q | 88.9 | Confident | 84.1 | Confident | 119 Ų | 119 | 87 Ų | 87 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.8 | 175.7 | -172.6 | 174 | 84.5 | 0 | 0 | 110.2 | Q62 C63 F65 | Q62-Q79 WeakPolarHBondContact CA-O 3.05Å; C63-Q79 PolarHBondContact N-O 3.46Å; C63-Q79 PolarHBondContact O-N 2.81Å; F65-Q79 HydrophobicContact CB-CB 4.38Å |
| 80 | S | 89.4 | Confident | 84.1 | Confident | 65 Ų | 65 | 88.7 Ų | 88.7 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.8 | 172.2 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | L61 | L61-S80 CarbonylContact O-C 3.46Å; L61-S80 WeakPolarHBondContact O-CA 2.94Å |
| 81 | C | 86.6 | Confident | 84.3 | Confident | 39 Ų | 39 | 90.1 Ų | 90.1 | 26% | 0.264 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 154.5 | 174.2 | -82.9 | 0 | 0 | 0 | 0 | 112.5 | L61 C63 K85 | L61-C81 HydrophobicContact CB-CB 4.31Å; L61-C81 PolarHBondContact O-N 3.4Å; C63-C81 PolarHBondContact SG-SG 2.98Å; C81-K85 HydrophobicContact CB-CB 4.36Å |
| 82 | S | 87.1 | Confident | 84.5 | Confident | 69 Ų | 69 | 90.1 Ų | 90.1 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 147.3 | 167 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | S84 K85 | S82-S84 PolarHBondContact O-N 3.37Å; S82-S84 PolarHBondContact OG-N 2.75Å; S82-S84 PolarHBondContact OG-OG 3.09Å; S82-K85 PolarHBondContact O-N 2.83Å |
| 83 | S | 83.4 | Confident | 84.3 | Confident | 129 Ų | 129 | 87.9 Ų | 87.9 | 90% | 0.902 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.5 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | K85 | S83-K85 VanDerWaalsContact C-N 3.29Å; S83-K85 PolarHBondContact O-N 3.17Å |
| 84 | S | 83.8 | Confident | 83.8 | Confident | 87 Ų | 87 | 91 Ų | 91 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -7.2 | 174.4 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | S82 P86 | S82-S84 PolarHBondContact O-N 3.37Å; S82-S84 PolarHBondContact OG-N 2.75Å; S82-S84 PolarHBondContact OG-OG 3.09Å; S84-P86 WeakPolarHBondContact O-CD 3.42Å |
| 85 | K | 83 | Confident | 83 | Confident | 122 Ų | 122 | 89.3 Ų | 89.3 | 53% | 0.53 | 51% | 0.505 | S | S | . | . | trans | -112.2 | 98.8 | 178.5 | -66.7 | -62.3 | -173.2 | -179.2 | 0 | 109.1 | C81 S82 S83 F87 | C81-K85 HydrophobicContact CB-CB 4.36Å; S82-K85 PolarHBondContact O-N 2.83Å; S83-K85 VanDerWaalsContact C-N 3.29Å; S83-K85 PolarHBondContact O-N 3.17Å; K85-F87 VanDerWaalsContact C-N 3.33Å; K85-F87 PolarHBondContact O-N 3.41Å | ||
| 86 | P | 82.6 | Confident | 81.7 | Confident | 102 Ų | 102 | 91.7 Ų | 91.7 | 66% | 0.662 | 53% | 0.532 | S | S | * | . | trans | -80.7 | -11.9 | -173.4 | 26.8 | -27.9 | 0 | 0 | 0 | 114 | S84 | S84-P86 WeakPolarHBondContact O-CD 3.42Š| ||
| 87 | F | 81.6 | Confident | 80 | Confident | 133 Ų | 133 | 90.8 Ų | 90.8 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -146.4 | 174.7 | 179.6 | 57.6 | -92.6 | 0 | 0 | 0 | 110 | K85 I89 | K85-F87 VanDerWaalsContact C-N 3.33Å; K85-F87 PolarHBondContact O-N 3.41Å; F87-I89 HydrophobicContact CD2-CD1 4.47Å; F87-I89 HydrophobicContact CD2-CG1 3.81Å; F87-I89 HydrophobicContact CE2-CD1 3.8Å; F87-I89 HydrophobicContact CE2-CG1 3.53Å |
| 88 | C | 85.3 | Confident | 78.3 | Confident | 25 Ų | 25 | 88.3 Ų | 88.3 | 17% | 0.169 | 54% | 0.544 | C | S | . | . | trans | -122.7 | 153.9 | 177 | -32 | 0 | 0 | 0 | 0 | 111.7 | L61 C63 S108 | L61-C88 WeakPolarHBondContact CD2-SG 3.28Å; C63-C88 HydrophobicContact CB-CB 3.92Å; C63-C88 WeakPolarHBondContact CB-SG 3.37Å; C63-C88 WeakPolarHBondContact SG-CB 3.35Å; C63-C88 CovalentContact SG-SG 2.06Å; C63-C88 PolarHBondContact SG-SG 2.99Å; C88-S108 VanDerWaalsContact CB-O 3.3Å; C88-S108 WeakPolarHBondContact CB-O 3.19Å; C88-S108 WeakPolarHBondContact CB-OG 3.41Å; C88-S108 WeakPolarHBondContact SG-CB 3.09Å; C88-S108 PolarHBondContact SG-OG 2.61Å | ||
| 89 | I | 83.8 | Confident | 76.6 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 48% | 0.477 | 56% | 0.558 | S | S | . | * | trans | -125.2 | 115.8 | -159.1 | -62.6 | 166.5 | 0 | 0 | 0 | 110.4 | F87 L91 T106 | F87-I89 HydrophobicContact CD2-CD1 4.47Å; F87-I89 HydrophobicContact CD2-CG1 3.81Å; F87-I89 HydrophobicContact CE2-CD1 3.8Å; F87-I89 HydrophobicContact CE2-CG1 3.53Å; I89-L91 HydrophobicContact CG2-CD2 4.45Å; I89-T106 CarbonylContact C-O 2.83Å; I89-T106 CarbonylContact O-C 3.53Å; I89-T106 WeakPolarHBondContact O-CB 2.99Å; I89-T106 WeakPolarHBondContact O-CG2 3.3Å | ||
| 90 | T | 80.3 | Confident | 74.7 | Confident | 60 Ų | 60 | 94 Ų | 94 | 37% | 0.368 | 57% | 0.566 | S | S | . | * | trans | -91.8 | 124.9 | 177 | -39.7 | 0 | 0 | 0 | 0 | 112.2 | V92 L105 T106 T107 | T90-V92 HydrophobicContact CG2-CG2 3.92Å; T90-L105 HydrophobicContact CG2-CB 4.03Å; T90-L105 HydrophobicContact CG2-CD2 3.73Å; T90-L105 HydrophobicContact CG2-CG 4.21Å; T90-T106 VanDerWaalsContact CA-C 3.48Å; T90-T106 WeakPolarHBondContact CA-O 3.41Å; T90-T106 PolarHBondContact N-O 2.89Å; T90-T106 PolarHBondContact OG1-O 2.99Å; T90-T107 HydrophobicContact CG2-CG2 3.39Å; T90-T107 WeakPolarHBondContact OG1-CA 3.46Å; T90-T107 WeakPolarHBondContact OG1-CG2 3.03Å | ||
| 91 | L | 81.1 | Confident | 73.1 | Confident | 104 Ų | 104 | 92.1 Ų | 92.1 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | trans | -95.6 | 136.6 | 166.9 | -56.5 | 174 | 0 | 0 | 0 | 108.6 | I89 F104 L105 | I89-L91 HydrophobicContact CG2-CD2 4.45Å; L91-F104 CarbonylContact C-O 3.46Å; L91-F104 HydrophobicContact CB-CB 4.14Å; L91-F104 WeakPolarHBondContact CB-O 3.2Å; L91-F104 CarbonylContact O-C 2.72Å; L91-F104 VanDerWaalsContact O-CA 3.3Å; L91-F104 WeakPolarHBondContact O-CA 3.45Å; L91-L105 WeakPolarHBondContact O-CA 3.44Å; L91-L105 PolarHBondContact O-N 3.17Å | ||
| 92 | V | 80.4 | Confident | 71.3 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | trans | -131.2 | 118.5 | 174.3 | -169.9 | 0 | 0 | 0 | 0 | 107.4 | T90 L105 | T90-V92 HydrophobicContact CG2-CG2 3.92Å; V92-L105 HydrophobicContact CB-CD2 4.48Å; V92-L105 HydrophobicContact CG1-CD2 4.32Å; V92-L105 HydrophobicContact CG1-CG 4.29Å; V92-L105 HydrophobicContact CG2-CD2 3.46Å; V92-L105 VanDerWaalsContact CG2-CD2 3.46Å; V92-L105 HydrophobicContact CG2-CG 3.85Å | ||
| 93 | S | 74.9 | Confident | 69.5 | Low | 41 Ų | 41 | 91.5 Ų | 91.5 | 29% | 0.287 | 55% | 0.547 | S | S | . | . | trans | -109.5 | 129.8 | 175.6 | 48.2 | 0 | 0 | 0 | 0 | 109.2 | L102 S103 F104 | S93-L102 PolarHBondContact OG-O 3.02Å; S93-S103 WeakPolarHBondContact O-CA 3.21Å; S93-S103 PolarHBondContact O-OG 3.46Å; S93-S103 WeakPolarHBondContact OG-CA 3.02Å; S93-F104 VanDerWaalsContact OG-CD2 3.28Å; S93-F104 WeakPolarHBondContact OG-CD2 3.32Å; S93-F104 PolarHBondContact OG-N 3.25Å | ||
| 94 | H | 72.4 | Confident | 67.9 | Low | 170 Ų | 170 | 89.2 Ų | 89.2 | 79% | 0.787 | 52% | 0.522 | S | S | * | . | trans | -114.1 | 103.9 | 174.3 | -179.4 | -95.8 | 0 | 0 | 0 | 108.6 | G96 | H94-G96 PolarHBondContact O-N 3.21Š| ||
| 95 | S | 67.3 | Low | 66.2 | Low | 54 Ų | 54 | 87.9 Ų | 87.9 | 38% | 0.378 | 51% | 0.507 | S | S | . | . | trans | -80.1 | 109.4 | 173.7 | 63.3 | 0 | 0 | 0 | 0 | 109.6 | T97 G101 | S95-T97 PolarHBondContact O-N 3.09Å; S95-G101 PolarHBondContact OG-O 3.04Å | ||
| 96 | G | 59.6 | Low | 64.4 | Low | 69 Ų | 69 | 84.4 Ų | 84.4 | 71% | 0.711 | 50% | 0.496 | S | S | * | . | trans | -69.9 | 19.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | H94 | H94-G96 PolarHBondContact O-N 3.21Š| ||
| 97 | T | 53.3 | Low | 62.6 | Low | 106 Ų | 106 | 82.1 Ų | 82.1 | 65% | 0.65 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -133.3 | 77.2 | -173.7 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | S95 R99 | S95-T97 PolarHBondContact O-N 3.09Å; T97-R99 WeakPolarHBondContact O-CB 3.44Å; T97-R99 PolarHBondContact O-N 2.59Å |
| 98 | G | 50.8 | Low | 61.1 | Low | 90 Ų | 90 | 76.1 Ų | 76.1 | 93% | 0.928 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 47.2 | 9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 99 | R | 52.4 | Low | 58.9 | Low | 201 Ų | 201 | 83.9 Ų | 83.9 | 76% | 0.758 | 49% | 0.486 | S | S | * | . | trans | -114.2 | 120.8 | -177.9 | -74.7 | -174.3 | 162.4 | -145.4 | -4 | 105.6 | T97 G101 | T97-R99 WeakPolarHBondContact O-CB 3.44Å; T97-R99 PolarHBondContact O-N 2.59Å; R99-G101 VanDerWaalsContact C-N 3.29Å; R99-G101 PolarHBondContact O-N 2.92Å | ||
| 100 | P | 50.3 | Low | 57.1 | Low | 113 Ų | 113 | 85 Ų | 85 | 73% | 0.734 | 49% | 0.485 | S | S | * | . | trans | -69 | 94.6 | 172.7 | 28.2 | -30.1 | 0 | 0 | 0 | 106.5 | ||||
| 101 | G | 54.4 | Low | 55.4 | Low | 27 Ų | 27 | 94.2 Ų | 94.2 | 28% | 0.278 | 52% | 0.523 | S | S | . | . | trans | -161.5 | 92.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S95 R99 | S95-G101 PolarHBondContact OG-O 3.04Å; R99-G101 VanDerWaalsContact C-N 3.29Å; R99-G101 PolarHBondContact O-N 2.92Å | ||
| 102 | L | 50.5 | Low | 54.1 | Low | 75 Ų | 75 | 93.8 Ų | 93.8 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | trans | 79.4 | 89.4 | 156.7 | -38 | 177.4 | 0 | 0 | 0 | 114.3 | V68 S93 F104 | V68-L102 HydrophobicContact CB-CD2 4.31Å; V68-L102 HydrophobicContact CG1-CB 4.49Å; V68-L102 HydrophobicContact CG1-CD2 3.17Å; V68-L102 HydrophobicContact CG1-CG 4.39Å; V68-L102 HydrophobicContact CG2-CD2 4.13Å; S93-L102 PolarHBondContact OG-O 3.02Å; L102-F104 HydrophobicContact CB-CD2 4.27Å; L102-F104 HydrophobicContact CB-CE2 3.66Å; L102-F104 HydrophobicContact CB-CZ 4.06Å; L102-F104 HydrophobicContact CD1-CE2 4.24Å; L102-F104 HydrophobicContact CD1-CZ 4.15Å | ||
| 103 | S | 49.5 | Very low | 52.7 | Low | 19 Ų | 19 | 93.4 Ų | 93.4 | 13% | 0.133 | 52% | 0.518 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 107.9 | 159 | -61.4 | 0 | 0 | 0 | 0 | 108.6 | L69 S93 L105 | L69-S103 PolarHBondContact O-N 3.34Å; L69-S103 VanDerWaalsContact O-O 3.06Å; S93-S103 WeakPolarHBondContact O-CA 3.21Å; S93-S103 PolarHBondContact O-OG 3.46Å; S93-S103 WeakPolarHBondContact OG-CA 3.02Å; S103-L105 PolarHBondContact O-N 3.15Å |
| 104 | F | 48.8 | Very low | 51.5 | Low | 82 Ų | 82 | 96.3 Ų | 96.3 | 36% | 0.36 | 53% | 0.53 | S | S | . | . | trans | -26.8 | -1.1 | 165.9 | -27.9 | -111.8 | 0 | 0 | 0 | 124.8 | Q67 V68 L91 S93 L102 T106 | Q67-F104 WeakPolarHBondContact O-CD1 3.02Å; Q67-F104 WeakPolarHBondContact O-CE1 3.49Å; V68-F104 HydrophobicContact CB-CE1 4.43Å; V68-F104 HydrophobicContact CG2-CD1 4.07Å; V68-F104 HydrophobicContact CG2-CE1 3.34Å; V68-F104 HydrophobicContact CG2-CZ 3.88Å; L91-F104 CarbonylContact C-O 3.46Å; L91-F104 HydrophobicContact CB-CB 4.14Å; L91-F104 WeakPolarHBondContact CB-O 3.2Å; L91-F104 CarbonylContact O-C 2.72Å; L91-F104 VanDerWaalsContact O-CA 3.3Å; L91-F104 WeakPolarHBondContact O-CA 3.45Å; S93-F104 VanDerWaalsContact OG-CD2 3.28Å; S93-F104 WeakPolarHBondContact OG-CD2 3.32Å; S93-F104 PolarHBondContact OG-N 3.25Å; L102-F104 HydrophobicContact CB-CD2 4.27Å; L102-F104 HydrophobicContact CB-CE2 3.66Å; L102-F104 HydrophobicContact CB-CZ 4.06Å; L102-F104 HydrophobicContact CD1-CE2 4.24Å; L102-F104 HydrophobicContact CD1-CZ 4.15Å; F104-T106 PolarHBondContact O-N 3.27Å | ||
| 105 | L | 48.2 | Very low | 50.2 | Low | 59 Ų | 59 | 91.9 Ų | 91.9 | 31% | 0.309 | 52% | 0.515 | S | S | . | . | trans | -65.8 | 93.8 | -151.5 | -69.7 | 126.7 | 0 | 0 | 0 | 115.3 | T90 L91 V92 S103 T107 | T90-L105 HydrophobicContact CG2-CB 4.03Å; T90-L105 HydrophobicContact CG2-CD2 3.73Å; T90-L105 HydrophobicContact CG2-CG 4.21Å; L91-L105 WeakPolarHBondContact O-CA 3.44Å; L91-L105 PolarHBondContact O-N 3.17Å; V92-L105 HydrophobicContact CB-CD2 4.48Å; V92-L105 HydrophobicContact CG1-CD2 4.32Å; V92-L105 HydrophobicContact CG1-CG 4.29Å; V92-L105 HydrophobicContact CG2-CD2 3.46Å; V92-L105 VanDerWaalsContact CG2-CD2 3.46Å; V92-L105 HydrophobicContact CG2-CG 3.85Å; S103-L105 PolarHBondContact O-N 3.15Å; L105-T107 HydrophobicContact CD2-CG2 4.34Å; L105-T107 PolarHBondContact O-N 3.3Å | ||
| 106 | T | 44.7 | Very low | 49.2 | Very low | 48 Ų | 48 | 94.3 Ų | 94.3 | 29% | 0.294 | 52% | 0.524 | S | S | . | . | trans | -88.8 | 62.5 | 168.9 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | I89 T90 F104 S108 | I89-T106 CarbonylContact C-O 2.83Å; I89-T106 CarbonylContact O-C 3.53Å; I89-T106 WeakPolarHBondContact O-CB 2.99Å; I89-T106 WeakPolarHBondContact O-CG2 3.3Å; T90-T106 VanDerWaalsContact CA-C 3.48Å; T90-T106 WeakPolarHBondContact CA-O 3.41Å; T90-T106 PolarHBondContact N-O 2.89Å; T90-T106 PolarHBondContact OG1-O 2.99Å; F104-T106 PolarHBondContact O-N 3.27Å; T106-S108 PolarHBondContact O-N 3.38Å | ||
| 107 | T | 44.9 | Very low | 48.5 | Very low | 55 Ų | 55 | 96 Ų | 96 | 34% | 0.337 | 51% | 0.511 | S | S | . | . | trans | -68.6 | 139.9 | -179 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | Y64 T90 L105 | Y64-T107 WeakPolarHBondContact CB-O 3.42Å; Y64-T107 PolarHBondContact N-O 2.77Å; T90-T107 HydrophobicContact CG2-CG2 3.39Å; T90-T107 WeakPolarHBondContact OG1-CA 3.46Å; T90-T107 WeakPolarHBondContact OG1-CG2 3.03Å; L105-T107 HydrophobicContact CD2-CG2 4.34Å; L105-T107 PolarHBondContact O-N 3.3Å | ||
| 108 | S | 50.6 | Low | 48.1 | Very low | 7 Ų | 7 | 95.3 Ų | 95.3 | 5% | 0.049 | 50% | 0.502 | C | S | . | . | trans | -159.1 | 146.5 | 139.6 | 157.4 | 0 | 0 | 0 | 0 | 118.1 | Q62 C63 C88 T106 | Q62-S108 PolarHBondContact O-OG 3.1Å; Q62-S108 VanDerWaalsContact O-OG 3.05Å; C63-S108 WeakPolarHBondContact CA-OG 3.19Å; C63-S108 WeakPolarHBondContact CB-OG 3.07Å; C63-S108 VanDerWaalsContact SG-CB 3.6Å; C63-S108 PolarHBondContact SG-OG 2.77Å; C88-S108 VanDerWaalsContact CB-O 3.3Å; C88-S108 WeakPolarHBondContact CB-O 3.19Å; C88-S108 WeakPolarHBondContact CB-OG 3.41Å; C88-S108 WeakPolarHBondContact SG-CB 3.09Å; C88-S108 PolarHBondContact SG-OG 2.61Å; T106-S108 PolarHBondContact O-N 3.38Å | ||
| 109 | F | 39.3 | Very low | 47.9 | Very low | 187 Ų | 187 | 95.7 Ų | 95.7 | 82% | 0.82 | 47% | 0.469 | S | S | * | . | trans | -130.8 | 148.9 | 160.8 | -93.2 | -101.5 | 0 | 0 | 0 | 109.2 | ||||
| 110 | R | 45.2 | Very low | 47.5 | Very low | 118 Ų | 118 | 86.9 Ų | 86.9 | 45% | 0.445 | 45% | 0.445 | S | S | . | . | trans | -143.1 | 123.2 | 143 | -176.6 | 156.8 | 136.4 | -104.4 | -5 | 109.5 | P60 L61 | P60-R110 PolarHBondContact O-NH1 3.05Å; P60-R110 VanDerWaalsContact O-NH1 3.09Å; L61-R110 HydrophobicContact CD1-CB 4.32Å | ||
| 111 | E | 44.1 | Very low | 47.3 | Very low | 253 Ų | 253 | 84.5 Ų | 84.5 | 100% | 1.182 | 42% | 0.418 | S | S | * | . | trans | -60.7 | 0 | 169.4 | -65.6 | -180 | 91.7 | 0 | 0 | 111.8 |
Retrieved 111 of 111 residues in 38.9 ms
(Link to these results)