| 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 | 57.2 | Low | 53.3 | Low | 220 Ų | 220 | 139.7 Ų | 139.7 | 100% | 1.084 | 69% | 0.687 | S | S | * | * | 0 | -5.6 | 0 | -72.7 | 173.9 | 178.7 | 0 | 0 | 114.7 | N5 | M1-N5 PolarHBondContact O-ND2 3.43Š| |||
| 2 | A | 54.9 | Low | 53.3 | Low | 89 Ų | 89 | 141.7 Ų | 141.7 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | trans | -91.6 | -17.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3 | L | 52.2 | Low | 53.3 | Low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -89.3 | -21.9 | -172.8 | -160.7 | 65.4 | 0 | 0 | 0 | 114.4 | ||
| 4 | Q | 52.8 | Low | 53.3 | Low | 159 Ų | 159 | 135.5 Ų | 135.5 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -77.3 | -29.6 | 176.2 | -77.9 | -174 | -45.3 | 0 | 0 | 112.8 | F6 T8 | Q4-F6 VanDerWaalsContact C-N 3.33Å; Q4-F6 PolarHBondContact O-N 3.33Å; Q4-T8 PolarHBondContact O-N 3.5Å; Q4-T8 PolarHBondContact O-OG1 3.49Å |
| 5 | N | 49.8 | Very low | 53.4 | Low | 100 Ų | 100 | 133.3 Ų | 133.3 | 54% | 0.535 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -76.6 | -19.5 | -178.9 | -64.5 | -21 | 0 | 0 | 0 | 113.4 | M1 T8 R9 | M1-N5 PolarHBondContact O-ND2 3.43Å; N5-T8 PolarHBondContact O-OG1 3.16Å; N5-R9 VanDerWaalsContact O-CG 3.27Å; N5-R9 WeakPolarHBondContact O-CG 3.49Å |
| 6 | F | 52.9 | Low | 53.4 | Low | 147 Ų | 147 | 128.3 Ų | 128.3 | 65% | 0.645 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -80.8 | -37.7 | 178 | -166.6 | -100.2 | 0 | 0 | 0 | 111.7 | Q4 L10 | Q4-F6 VanDerWaalsContact C-N 3.33Å; Q4-F6 PolarHBondContact O-N 3.33Å; F6-L10 PolarHBondContact O-N 3.15Å; F6-L10 VanDerWaalsContact O-N 3.16Å |
| 7 | R | 53 | Low | 53.3 | Low | 186 Ų | 186 | 123.9 Ų | 123.9 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.5 | -38.7 | 178.8 | -75.7 | -176.7 | 154.4 | 168.4 | -5.2 | 113 | L11 | R7-L11 PolarHBondContact O-N 3.37Å |
| 8 | T | 51.8 | Low | 53 | Low | 79 Ų | 79 | 126.3 Ų | 126.3 | 49% | 0.485 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.5 | -34.4 | 176.8 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | Q4 N5 F12 | Q4-T8 PolarHBondContact O-N 3.5Å; Q4-T8 PolarHBondContact O-OG1 3.49Å; N5-T8 PolarHBondContact O-OG1 3.16Å; T8-F12 WeakPolarHBondContact O-CD2 3.27Å; T8-F12 PolarHBondContact O-N 3.36Å |
| 9 | R | 53.7 | Low | 52.7 | Low | 199 Ų | 199 | 127.9 Ų | 127.9 | 75% | 0.751 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.1 | -33.9 | 175.6 | -73.4 | -175.3 | 175.1 | -147.8 | -1.7 | 113.4 | N5 S13 | N5-R9 VanDerWaalsContact O-CG 3.27Å; N5-R9 WeakPolarHBondContact O-CG 3.49Å; R9-S13 PolarHBondContact O-N 3.2Å |
| 10 | L | 54.2 | Low | 52.7 | Low | 105 Ų | 105 | 127.9 Ų | 127.9 | 55% | 0.55 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.1 | -36.6 | 177.9 | -158.1 | 75.1 | 0 | 0 | 0 | 112.3 | F6 L14 | F6-L10 PolarHBondContact O-N 3.15Å; F6-L10 VanDerWaalsContact O-N 3.16Å; L10-L14 PolarHBondContact O-N 3.3Å |
| 11 | L | 53.7 | Low | 52.4 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 60% | 0.602 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.4 | -37.2 | 177.2 | -73.8 | 166.4 | 0 | 0 | 0 | 112.8 | R7 L14 L15 | R7-L11 PolarHBondContact O-N 3.37Å; L11-L14 PolarHBondContact O-N 3.44Å; L11-L15 PolarHBondContact O-N 3.27Å |
| 12 | F | 53.8 | Low | 51.9 | Low | 163 Ų | 163 | 120 Ų | 120 | 72% | 0.715 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 175.7 | -98.2 | -90.2 | 0 | 0 | 0 | 113 | T8 A16 | T8-F12 WeakPolarHBondContact O-CD2 3.27Å; T8-F12 PolarHBondContact O-N 3.36Å; F12-A16 PolarHBondContact O-N 3.26Å; F12-A16 VanDerWaalsContact O-N 3.16Å |
| 13 | S | 53.2 | Low | 51.5 | Low | 81 Ų | 81 | 123.4 Ų | 123.4 | 57% | 0.566 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.1 | -32.9 | 176.5 | -173.8 | 0 | 0 | 0 | 0 | 113.1 | R9 A17 | R9-S13 PolarHBondContact O-N 3.2Å; S13-A17 PolarHBondContact O-N 3.46Å |
| 14 | L | 52.8 | Low | 51.4 | Low | 116 Ų | 116 | 120.7 Ų | 120.7 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.4 | -36.2 | 177.7 | -84.3 | 158.8 | 0 | 0 | 0 | 112.2 | L10 L11 A17 F18 | L10-L14 PolarHBondContact O-N 3.3Å; L11-L14 PolarHBondContact O-N 3.44Å; L14-A17 PolarHBondContact O-N 3.48Å; L14-F18 PolarHBondContact O-N 3.16Å |
| 15 | L | 54.8 | Low | 51.1 | Low | 103 Ų | 103 | 122 Ų | 122 | 54% | 0.539 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.3 | -41.1 | 172.6 | -95.7 | 151.3 | 0 | 0 | 0 | 112.2 | L11 A17 F18 F19 | L11-L15 PolarHBondContact O-N 3.27Å; L15-A17 VanDerWaalsContact C-N 3.35Å; L15-A17 PolarHBondContact O-N 3.48Å; L15-F18 PolarHBondContact O-N 3.08Å; L15-F19 HydrophobicContact CD2-CE2 4.4Å; L15-F19 WeakPolarHBondContact O-CD2 3.29Å; L15-F19 PolarHBondContact O-N 3.3Å; L15-F19 VanDerWaalsContact O-N 3.08Å |
| 16 | A | 52.9 | Low | 50.7 | Low | 52 Ų | 52 | 125.1 Ų | 125.1 | 43% | 0.43 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.5 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F12 F19 I20 | F12-A16 PolarHBondContact O-N 3.26Å; F12-A16 VanDerWaalsContact O-N 3.16Å; A16-F19 PolarHBondContact O-N 3.23Å; A16-I20 WeakPolarHBondContact O-CD1 3.45Å; A16-I20 VanDerWaalsContact O-CG1 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.45Å; A16-I20 PolarHBondContact O-N 3.46Å |
| 17 | A | 51.9 | Low | 50.1 | Low | 55 Ų | 55 | 123.8 Ų | 123.8 | 46% | 0.455 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -68.8 | -34.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S13 L14 L15 I20 S21 | S13-A17 PolarHBondContact O-N 3.46Å; L14-A17 PolarHBondContact O-N 3.48Å; L15-A17 VanDerWaalsContact C-N 3.35Å; L15-A17 PolarHBondContact O-N 3.48Å; A17-I20 PolarHBondContact O-N 3.31Å; A17-S21 PolarHBondContact O-N 3.43Å |
| 18 | F | 48.8 | Very low | 49.4 | Very low | 167 Ų | 167 | 121 Ų | 121 | 73% | 0.732 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -70.6 | -34.8 | 176.5 | -152.9 | -95 | 0 | 0 | 0 | 112.2 | L14 L15 A22 | L14-F18 PolarHBondContact O-N 3.16Å; L15-F18 PolarHBondContact O-N 3.08Å; F18-A22 PolarHBondContact O-N 3.28Å |
| 19 | F | 47.8 | Very low | 48.6 | Very low | 157 Ų | 157 | 119.8 Ų | 119.8 | 69% | 0.689 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.8 | -29.4 | 174.3 | -97.3 | -83.3 | 0 | 0 | 0 | 113.5 | L15 A16 | L15-F19 HydrophobicContact CD2-CE2 4.4Å; L15-F19 WeakPolarHBondContact O-CD2 3.29Å; L15-F19 PolarHBondContact O-N 3.3Å; L15-F19 VanDerWaalsContact O-N 3.08Å; A16-F19 PolarHBondContact O-N 3.23Å |
| 20 | I | 51.4 | Low | 47.8 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 65% | 0.651 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.5 | -33.1 | 178.3 | -64.3 | 163.7 | 0 | 0 | 0 | 111.2 | A16 A17 A22 L23 | A16-I20 WeakPolarHBondContact O-CD1 3.45Å; A16-I20 VanDerWaalsContact O-CG1 3.29Å; A16-I20 WeakPolarHBondContact O-CG1 3.45Å; A16-I20 PolarHBondContact O-N 3.46Å; A17-I20 PolarHBondContact O-N 3.31Å; I20-A22 VanDerWaalsContact C-N 3.3Å; I20-A22 PolarHBondContact O-N 3.36Å; I20-L23 PolarHBondContact O-N 3.45Å |
| 21 | S | 46.8 | Very low | 47 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74 | -17.2 | 177 | -69.4 | 0 | 0 | 0 | 0 | 114.4 | A17 L23 | A17-S21 PolarHBondContact O-N 3.43Å; S21-L23 VanDerWaalsContact C-N 3.3Å |
| 22 | A | 47.2 | Very low | 46.2 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 0.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F18 I20 | F18-A22 PolarHBondContact O-N 3.28Å; I20-A22 VanDerWaalsContact C-N 3.3Å; I20-A22 PolarHBondContact O-N 3.36Å |
| 23 | L | 45.9 | Very low | 45.5 | Very low | 161 Ų | 161 | 118.7 Ų | 118.7 | 84% | 0.843 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -115.6 | 41 | 179.9 | -149.2 | 80.4 | 0 | 0 | 0 | 111.3 | I20 S21 | I20-L23 PolarHBondContact O-N 3.45Å; S21-L23 VanDerWaalsContact C-N 3.3Å |
| 24 | A | 50.7 | Low | 44.9 | Very low | 81 Ų | 81 | 118.3 Ų | 118.3 | 67% | 0.669 | 68% | 0.675 | S | S | * | * | trans | -132.9 | 70.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 25 | E | 46.3 | Very low | 44.4 | Very low | 187 Ų | 187 | 119.3 Ų | 119.3 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | -124.1 | 96.9 | 155.6 | -73.9 | -174.6 | 158.3 | 0 | 0 | 104.9 | ||||
| 26 | E | 41.4 | Very low | 44.1 | Very low | 166 Ų | 166 | 117.7 Ų | 117.7 | 78% | 0.776 | 67% | 0.672 | S | S | * | * | 88.7 | 97.2 | 101.6 | -167.8 | 169 | -171.4 | 0 | 0 | 109.5 | V28 | E26-V28 PolarHBondContact O-N 2.91Š| |||
| 27 | S | 39.3 | Very low | 44.1 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | trans | -64.6 | 92.1 | 165.6 | 54.7 | 0 | 0 | 0 | 0 | 107.8 | G29 | S27-G29 PolarHBondContact O-N 2.93Å; S27-G29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | V | 38.9 | Very low | 44.4 | Very low | 127 Ų | 127 | 118.7 Ų | 118.7 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | trans | -54.2 | 116 | 168 | 174.2 | 0 | 0 | 0 | 0 | 107 | E26 E30 | E26-V28 PolarHBondContact O-N 2.91Å; V28-E30 PolarHBondContact O-N 3.14Å | ||
| 29 | G | 35.6 | Very low | 44.6 | Very low | 54 Ų | 54 | 114 Ų | 114 | 56% | 0.557 | 64% | 0.636 | S | S | * | * | trans | -57.1 | 129 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S27 S31 | S27-G29 PolarHBondContact O-N 2.93Å; S27-G29 VanDerWaalsContact O-N 3.1Å; G29-S31 PolarHBondContact O-N 3.16Å; G29-S31 PolarHBondContact O-OG 2.91Å | ||
| 30 | E | 35.5 | Very low | 44.8 | Very low | 193 Ų | 193 | 110.5 Ų | 110.5 | 90% | 0.902 | 62% | 0.621 | S | S | * | * | trans | -63.7 | 81.3 | 173.4 | -166 | 170 | 179 | 0 | 0 | 108.7 | V28 | V28-E30 PolarHBondContact O-N 3.14Š| ||
| 31 | S | 38 | Very low | 44.7 | Very low | 77 Ų | 77 | 109.4 Ų | 109.4 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | trans | -72.4 | 125.7 | 163.6 | -55.3 | 0 | 0 | 0 | 0 | 105.1 | G29 H33 | G29-S31 PolarHBondContact O-N 3.16Å; G29-S31 PolarHBondContact O-OG 2.91Å; S31-H33 WeakPolarHBondContact CB-NE2 3.36Å; S31-H33 PolarHBondContact O-CD2 3.01Å; S31-H33 VanDerWaalsContact O-CD2 3.28Å; S31-H33 PolarHBondContact O-N 3.33Å | ||
| 32 | Q | 36.3 | Very low | 45.1 | Very low | 199 Ų | 199 | 105.9 Ų | 105.9 | 93% | 0.93 | 59% | 0.59 | S | S | * | * | trans | -68 | 75.7 | 176.4 | -65.4 | 178.3 | -26.7 | 0 | 0 | 108.4 | A34 | Q32-A34 PolarHBondContact O-N 2.84Š| ||
| 33 | H | 39.3 | Very low | 45.5 | Very low | 91 Ų | 91 | 102.3 Ų | 102.3 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | trans | -68.5 | 118.1 | 172 | -75.3 | -85.8 | 0 | 0 | 0 | 106.6 | S31 N35 | S31-H33 WeakPolarHBondContact CB-NE2 3.36Å; S31-H33 PolarHBondContact O-CD2 3.01Å; S31-H33 VanDerWaalsContact O-CD2 3.28Å; S31-H33 PolarHBondContact O-N 3.33Å; H33-N35 PolarHBondContact O-N 3.2Å; H33-N35 VanDerWaalsContact O-N 3.1Å | ||
| 34 | A | 41.5 | Very low | 45.8 | Very low | 73 Ų | 73 | 99.6 Ų | 99.6 | 60% | 0.603 | 54% | 0.543 | S | S | * | . | trans | -50 | 122.6 | 160 | 0 | 0 | 0 | 0 | 0 | 105.9 | Q32 I36 | Q32-A34 PolarHBondContact O-N 2.84Å; A34-I36 HydrophobicContact CB-CG1 4.41Å; A34-I36 PolarHBondContact O-N 2.96Å | ||
| 35 | N | 42.1 | Very low | 46.1 | Very low | 137 Ų | 137 | 98.1 Ų | 98.1 | 73% | 0.733 | 52% | 0.523 | S | S | * | . | trans | -68.1 | 81.6 | 178.6 | -82.1 | -110.5 | 0 | 0 | 0 | 107.1 | H33 R37 | H33-N35 PolarHBondContact O-N 3.2Å; H33-N35 VanDerWaalsContact O-N 3.1Å; N35-R37 PolarHBondContact O-N 3.12Å | ||
| 36 | I | 47.8 | Very low | 46.4 | Very low | 68 Ų | 68 | 95 Ų | 95 | 35% | 0.349 | 51% | 0.507 | S | S | . | . | trans | -78 | 79.6 | 169 | -59.1 | -179.2 | 0 | 0 | 0 | 104.7 | A34 L42 L117 | A34-I36 HydrophobicContact CB-CG1 4.41Å; A34-I36 PolarHBondContact O-N 2.96Å; I36-L42 HydrophobicContact CG2-CD1 3.57Å; I36-L117 HydrophobicContact CB-CD2 3.55Å; I36-L117 HydrophobicContact CD1-CD1 4.16Å; I36-L117 HydrophobicContact CD1-CD2 4.05Å; I36-L117 HydrophobicContact CG1-CD2 4.18Å; I36-L117 HydrophobicContact CG2-CD2 4.05Å | ||
| 37 | R | 53.4 | Low | 47 | Very low | 116 Ų | 116 | 92.8 Ų | 92.8 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | trans | -68.3 | 164.2 | 160.9 | -71 | 169 | 65.4 | 83.1 | 4.2 | 107.1 | N35 D39 L42 D124 | N35-R37 PolarHBondContact O-N 3.12Å; R37-D39 PolarHBondContact O-N 3.48Å; R37-L42 WeakPolarHBondContact O-CD1 3.43Å; R37-D124 IonicContact CZ-OD2 2.93Å; R37-D124 IonicContact NH1-OD2 3.5Å; R37-D124 PolarHBondContact NH1-OD2 3.5Å | ||
| 38 | L | 57.8 | Low | 47.8 | Very low | 12 Ų | 12 | 88.7 Ų | 88.7 | 6% | 0.063 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -62.9 | 77.8 | 155.6 | -114.6 | 109.7 | 0 | 0 | 0 | 107.8 | V43 L90 V121 F138 L142 | L38-V43 HydrophobicContact CD2-CG2 4.27Å; L38-L90 HydrophobicContact CD1-CD2 4.15Å; L38-V121 HydrophobicContact CD1-CB 4.3Å; L38-V121 HydrophobicContact CD1-CG1 3.51Å; L38-V121 HydrophobicContact CD1-CG2 3.72Å; L38-F138 HydrophobicContact CD2-CD2 3.5Å; L38-F138 HydrophobicContact CD2-CE2 3.16Å; L38-F138 HydrophobicContact CD2-CZ 4.13Å; L38-L142 WeakPolarHBondContact O-CD2 2.97Å |
| 39 | D | 52.9 | Low | 48.6 | Very low | 68 Ų | 68 | 83 Ų | 83 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | trans | -83.6 | 149.4 | -178.6 | 170.7 | -9.6 | 0 | 0 | 0 | 106.8 | R37 N41 L42 | R37-D39 PolarHBondContact O-N 3.48Å; D39-N41 VanDerWaalsContact CG-ND2 3.29Å; D39-N41 PolarHBondContact O-N 2.79Å; D39-N41 PolarHBondContact OD1-N 2.93Å; D39-N41 PolarHBondContact OD1-ND2 3.14Å; D39-N41 PolarHBondContact OD2-ND2 2.95Å; D39-L42 PolarHBondContact O-N 2.88Å | ||
| 40 | K | 51.8 | Low | 49.3 | Very low | 84 Ų | 84 | 85 Ų | 85 | 37% | 0.365 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -39.4 | -37.2 | 163.4 | -72.4 | 175.7 | -171.4 | 160.2 | 0 | 112.1 | L42 V43 Q44 L142 E143 | K40-L42 PolarHBondContact O-N 3.3Å; K40-V43 CarbonylContact O-C 3.57Å; K40-V43 PolarHBondContact O-N 2.76Å; K40-Q44 HydrophobicContact CB-CG 4.17Å; K40-Q44 WeakPolarHBondContact O-CA 3.16Å; K40-Q44 WeakPolarHBondContact O-CB 3.47Å; K40-Q44 WeakPolarHBondContact O-CG 3.46Å; K40-Q44 PolarHBondContact O-N 2.91Å; K40-L142 WeakPolarHBondContact CE-O 3.08Å; K40-E143 PolarHBondContact NZ-O 3.33Å |
| 41 | N | 49.3 | Very low | 50.3 | Low | 105 Ų | 105 | 81.5 Ų | 81.5 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.4 | -38.1 | 178.3 | -65.5 | -50 | 0 | 0 | 0 | 114.2 | D39 V43 D45 | D39-N41 VanDerWaalsContact CG-ND2 3.29Å; D39-N41 PolarHBondContact O-N 2.79Å; D39-N41 PolarHBondContact OD1-N 2.93Å; D39-N41 PolarHBondContact OD1-ND2 3.14Å; D39-N41 PolarHBondContact OD2-ND2 2.95Å; N41-V43 VanDerWaalsContact C-N 3.35Å; N41-V43 PolarHBondContact O-N 2.87Å; N41-D45 PolarHBondContact O-N 3.01Å |
| 42 | L | 57.2 | Low | 51 | Low | 24 Ų | 24 | 82.5 Ų | 82.5 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.8 | -30.7 | 177.1 | -97.3 | 145.5 | 0 | 0 | 0 | 113 | I36 R37 D39 K40 V97 | I36-L42 HydrophobicContact CG2-CD1 3.57Å; R37-L42 WeakPolarHBondContact O-CD1 3.43Å; D39-L42 PolarHBondContact O-N 2.88Å; K40-L42 PolarHBondContact O-N 3.3Å; L42-V97 HydrophobicContact CD2-CB 3.88Å; L42-V97 HydrophobicContact CD2-CG1 3.79Å; L42-V97 HydrophobicContact CD2-CG2 3.95Å |
| 43 | V | 55.5 | Low | 51.7 | Low | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -102 | -15.4 | -175.9 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | L38 K40 N41 I49 Q70 Y73 F138 L142 | L38-V43 HydrophobicContact CD2-CG2 4.27Å; K40-V43 CarbonylContact O-C 3.57Å; K40-V43 PolarHBondContact O-N 2.76Å; N41-V43 VanDerWaalsContact C-N 3.35Å; N41-V43 PolarHBondContact O-N 2.87Å; V43-I49 WeakPolarHBondContact O-CD1 3.32Å; V43-Q70 HydrophobicContact CG1-CG 4.13Å; V43-Y73 HydrophobicContact CG1-CG 4.18Å; V43-Y73 HydrophobicContact CG2-CD1 4.14Å; V43-Y73 HydrophobicContact CG2-CE1 4.12Å; V43-Y73 HydrophobicContact CG2-CG 4.44Å; V43-F138 HydrophobicContact CG1-CZ 4.31Å; V43-F138 HydrophobicContact CG2-CE2 4.4Å; V43-F138 HydrophobicContact CG2-CZ 3.95Å; V43-L142 HydrophobicContact CB-CD1 4.25Å; V43-L142 HydrophobicContact CB-CD2 4.05Å; V43-L142 HydrophobicContact CG1-CD1 3.94Å; V43-L142 HydrophobicContact CG2-CD1 4.14Å; V43-L142 HydrophobicContact CG2-CD2 3.74Å |
| 44 | Q | 50.6 | Low | 52 | Low | 105 Ų | 105 | 78 Ų | 78 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | trans | -103.4 | 8.1 | -179.3 | -66.8 | -173.2 | -18.3 | 0 | 0 | 113.3 | K40 K46 | K40-Q44 HydrophobicContact CB-CG 4.17Å; K40-Q44 WeakPolarHBondContact O-CA 3.16Å; K40-Q44 WeakPolarHBondContact O-CB 3.47Å; K40-Q44 WeakPolarHBondContact O-CG 3.46Å; K40-Q44 PolarHBondContact O-N 2.91Å; Q44-K46 WeakPolarHBondContact O-CG 3.14Å; Q44-K46 PolarHBondContact O-N 2.9Å | ||
| 45 | D | 57.4 | Low | 52.4 | Low | 49 Ų | 49 | 78.3 Ų | 78.3 | 26% | 0.262 | 40% | 0.399 | S | S | . | . | trans | -74.6 | 79.5 | 168.9 | -143.8 | -24.2 | 0 | 0 | 0 | 109.7 | N41 D47 H48 I49 | N41-D45 PolarHBondContact O-N 3.01Å; D45-D47 PolarHBondContact O-N 3.19Å; D45-H48 HydrophobicContact CB-CB 4.3Å; D45-H48 PolarHBondContact O-N 2.75Å; D45-H48 IonicContact OD1-CD2 2.76Å; D45-H48 IonicContact OD2-CD2 2.65Å; D45-H48 PolarHBondContact OD2-CD2 3.24Å; D45-H48 IonicContact OD2-NE2 3.13Å; D45-I49 PolarHBondContact O-N 2.93Å | ||
| 46 | K | 53.8 | Low | 52.7 | Low | 121 Ų | 121 | 77.9 Ų | 77.9 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -54 | -38.2 | -175.5 | -67.7 | 172.3 | -178.5 | 175.8 | 0 | 111.4 | Q44 H48 I49 M50 E61 | Q44-K46 WeakPolarHBondContact O-CG 3.14Å; Q44-K46 PolarHBondContact O-N 2.9Å; K46-H48 VanDerWaalsContact C-N 3.29Å; K46-H48 PolarHBondContact O-N 2.89Å; K46-I49 PolarHBondContact O-N 3.3Å; K46-M50 PolarHBondContact O-N 3.38Å; K46-M50 VanDerWaalsContact O-N 3.14Å; K46-E61 WeakPolarHBondContact CA-OE1 3.35Å; K46-E61 VanDerWaalsContact CB-OE1 3.28Å; K46-E61 WeakPolarHBondContact CB-OE1 3.33Å; K46-E61 WeakPolarHBondContact CG-OE1 3.16Å; K46-E61 VanDerWaalsContact O-OE2 3.06Å |
| 47 | D | 52.5 | Low | 52.6 | Low | 121 Ų | 121 | 78 Ų | 78 | 65% | 0.647 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.6 | -31.2 | -179.1 | -64.4 | -24 | 0 | 0 | 0 | 111 | D45 M50 | D45-D47 PolarHBondContact O-N 3.19Å; D47-M50 WeakPolarHBondContact O-CB 3.37Å; D47-M50 PolarHBondContact O-N 2.9Å |
| 48 | H | 57 | Low | 52.6 | Low | 31 Ų | 31 | 81 Ų | 81 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -78.8 | -30.9 | 175.9 | -69.3 | -37 | 0 | 0 | 0 | 114.2 | D45 K46 M50 E100 | D45-H48 HydrophobicContact CB-CB 4.3Å; D45-H48 PolarHBondContact O-N 2.75Å; D45-H48 IonicContact OD1-CD2 2.76Å; D45-H48 IonicContact OD2-CD2 2.65Å; D45-H48 PolarHBondContact OD2-CD2 3.24Å; D45-H48 IonicContact OD2-NE2 3.13Å; K46-H48 VanDerWaalsContact C-N 3.29Å; K46-H48 PolarHBondContact O-N 2.89Å; H48-M50 PolarHBondContact O-N 2.89Å; H48-E100 WeakPolarHBondContact CE1-CB 3.46Å; H48-E100 IonicContact CE1-OE2 3.2Å; H48-E100 PolarHBondContact CE1-OE2 3.25Å; H48-E100 WeakPolarHBondContact ND1-CB 3.44Å; H48-E100 IonicContact ND1-OE2 3.89Å; H48-E100 PolarHBondContact ND1-OE2 3.24Å |
| 49 | I | 54.9 | Low | 52.4 | Low | 7 Ų | 7 | 86.8 Ų | 86.8 | 4% | 0.036 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.6 | -33.3 | 171.3 | -63.3 | 173.6 | 0 | 0 | 0 | 110 | V43 D45 K46 E51 H52 L53 L69 Y73 | V43-I49 WeakPolarHBondContact O-CD1 3.32Å; D45-I49 PolarHBondContact O-N 2.93Å; K46-I49 PolarHBondContact O-N 3.3Å; I49-E51 PolarHBondContact O-N 3.27Å; I49-H52 PolarHBondContact O-N 2.86Å; I49-L53 HydrophobicContact CG2-CD1 3.94Å; I49-L53 HydrophobicContact CG2-CG 4.43Å; I49-L53 WeakPolarHBondContact O-CG 3.2Å; I49-L53 PolarHBondContact O-N 3.23Å; I49-L69 HydrophobicContact CG2-CD2 4.41Å; I49-Y73 HydrophobicContact CD1-CD2 4.46Å; I49-Y73 HydrophobicContact CG1-CD2 4.48Å |
| 50 | M | 51.4 | Low | 52.5 | Low | 97 Ų | 97 | 86.7 Ų | 86.7 | 48% | 0.478 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.6 | -33.5 | -178.8 | -158.6 | 175.4 | -65.1 | 0 | 0 | 114.2 | K46 D47 H48 H52 L53 E61 | K46-M50 PolarHBondContact O-N 3.38Å; K46-M50 VanDerWaalsContact O-N 3.14Å; D47-M50 WeakPolarHBondContact O-CB 3.37Å; D47-M50 PolarHBondContact O-N 2.9Å; H48-M50 PolarHBondContact O-N 2.89Å; M50-H52 VanDerWaalsContact C-N 3.32Å; M50-H52 PolarHBondContact O-N 2.9Å; M50-L53 WeakPolarHBondContact O-CB 3.28Å; M50-L53 PolarHBondContact O-N 3.38Å; M50-L53 VanDerWaalsContact O-N 3.13Å; M50-E61 HydrophobicContact CE-CB 4.47Å |
| 51 | E | 56.5 | Low | 52.5 | Low | 120 Ų | 120 | 83.4 Ų | 83.4 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.4 | -32.2 | 178.4 | -173.4 | 164.7 | 174.6 | 0 | 0 | 112.7 | I49 | I49-E51 PolarHBondContact O-N 3.27Å |
| 52 | H | 52.6 | Low | 52.8 | Low | 98 Ų | 98 | 83.6 Ų | 83.6 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -83.2 | -12.1 | 173.8 | -112.4 | 82.5 | 0 | 0 | 0 | 113.7 | I49 M50 M76 H96 | I49-H52 PolarHBondContact O-N 2.86Å; M50-H52 VanDerWaalsContact C-N 3.32Å; M50-H52 PolarHBondContact O-N 2.9Å; H52-M76 HydrophobicContact CB-CE 4.07Å; H52-M76 HydrophobicContact CB-SD 4.18Å; H52-H96 AromaticContact CE1-NE2 3.62Å; H52-H96 AromaticContact ND1-NE2 3.39Å; H52-H96 PolarHBondContact ND1-NE2 3.33Å |
| 53 | L | 50.7 | Low | 53.3 | Low | 18 Ų | 18 | 88.8 Ų | 88.8 | 9% | 0.094 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -82.1 | -14.7 | 177.9 | -78.2 | 166.5 | 0 | 0 | 0 | 113.2 | I49 M50 G55 I57 E61 M64 | I49-L53 HydrophobicContact CG2-CD1 3.94Å; I49-L53 HydrophobicContact CG2-CG 4.43Å; I49-L53 WeakPolarHBondContact O-CG 3.2Å; I49-L53 PolarHBondContact O-N 3.23Å; M50-L53 WeakPolarHBondContact O-CB 3.28Å; M50-L53 PolarHBondContact O-N 3.38Å; M50-L53 VanDerWaalsContact O-N 3.13Å; L53-G55 PolarHBondContact O-N 2.89Å; L53-I57 HydrophobicContact CD2-CB 4.24Å; L53-I57 HydrophobicContact CD2-CD1 3.85Å; L53-I57 HydrophobicContact CD2-CG1 4.28Å; L53-E61 HydrophobicContact CD1-CB 4.13Å; L53-M64 HydrophobicContact CD1-CE 4.43Å |
| 54 | E | 44.8 | Very low | 53.8 | Low | 177 Ų | 177 | 90.5 Ų | 90.5 | 83% | 0.827 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 93.2 | 177.6 | -78.7 | -161.7 | 157.3 | 0 | 0 | 111.6 | ||
| 55 | G | 49.9 | Very low | 55.3 | Low | 80 Ų | 80 | 87.4 Ų | 87.4 | 83% | 0.825 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 116.1 | -0.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117 | L53 | L53-G55 PolarHBondContact O-N 2.89Š|
| 56 | V | 48 | Very low | 56.4 | Low | 127 Ų | 127 | 88.9 Ų | 88.9 | 77% | 0.77 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -23.4 | -178.4 | -175.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 57 | I | 46.9 | Very low | 57.7 | Low | 71 Ų | 71 | 88.7 Ų | 88.7 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | trans | -134.4 | 126.7 | -176.7 | -57.6 | -174.7 | 0 | 0 | 0 | 110.7 | L53 K59 | L53-I57 HydrophobicContact CD2-CB 4.24Å; L53-I57 HydrophobicContact CD2-CD1 3.85Å; L53-I57 HydrophobicContact CD2-CG1 4.28Å; I57-K59 HydrophobicContact CG2-CB 3.89Å; I57-K59 PolarHBondContact O-N 3.17Å; I57-K59 VanDerWaalsContact O-N 3.16Å | ||
| 58 | D | 53.2 | Low | 59.1 | Low | 179 Ų | 179 | 87.6 Ų | 87.6 | 96% | 0.957 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -76.5 | 14 | 176.3 | -87 | -29.6 | 0 | 0 | 0 | 113.8 | ||
| 59 | K | 54.2 | Low | 60.2 | Low | 133 Ų | 133 | 87.1 Ų | 87.1 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -121.4 | 126.7 | -176.5 | -82.4 | -175.9 | 173.9 | -179.1 | 0 | 111.1 | I57 | I57-K59 HydrophobicContact CG2-CB 3.89Å; I57-K59 PolarHBondContact O-N 3.17Å; I57-K59 VanDerWaalsContact O-N 3.16Å |
| 60 | P | 54.9 | Low | 61.5 | Low | 67 Ų | 67 | 88.6 Ų | 88.6 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | trans | -70.2 | 140.1 | 174.5 | 30.2 | -33 | 0 | 0 | 0 | 110.4 | S62 E63 | P60-S62 PolarHBondContact O-N 3.27Å; P60-E63 HydrophobicContact CG-CG 4.13Å; P60-E63 PolarHBondContact O-N 3.47Å | ||
| 61 | E | 51.8 | Low | 63.2 | Low | 14 Ų | 14 | 87.5 Ų | 87.5 | 7% | 0.065 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -52 | -28.4 | 176.1 | 177 | 178.8 | 177.1 | 0 | 0 | 113.8 | K46 M50 L53 E63 M64 L69 | K46-E61 WeakPolarHBondContact CA-OE1 3.35Å; K46-E61 VanDerWaalsContact CB-OE1 3.28Å; K46-E61 WeakPolarHBondContact CB-OE1 3.33Å; K46-E61 WeakPolarHBondContact CG-OE1 3.16Å; K46-E61 VanDerWaalsContact O-OE2 3.06Å; M50-E61 HydrophobicContact CE-CB 4.47Å; L53-E61 HydrophobicContact CD1-CB 4.13Å; E61-E63 PolarHBondContact O-N 3.07Å; E61-M64 HydrophobicContact CB-CE 4.35Å; E61-M64 PolarHBondContact O-N 3.27Å; E61-L69 HydrophobicContact CG-CD1 4.13Å; E61-L69 HydrophobicContact CG-CD2 3.59Å; E61-L69 HydrophobicContact CG-CG 4.44Å |
| 62 | S | 55.8 | Low | 64.5 | Low | 109 Ų | 109 | 83.8 Ų | 83.8 | 76% | 0.762 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -59.2 | -12.7 | 176.1 | 58.5 | 0 | 0 | 0 | 0 | 114.3 | P60 | P60-S62 PolarHBondContact O-N 3.27Š|
| 63 | E | 66.1 | Low | 65.9 | Low | 134 Ų | 134 | 79.9 Ų | 79.9 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -102 | -4.8 | 175.5 | -64 | -178.1 | -169.1 | 0 | 0 | 113.9 | P60 E61 | P60-E63 HydrophobicContact CG-CG 4.13Å; P60-E63 PolarHBondContact O-N 3.47Å; E61-E63 PolarHBondContact O-N 3.07Å |
| 64 | M | 67.3 | Low | 67.8 | Low | 42 Ų | 42 | 79.1 Ų | 79.1 | 21% | 0.207 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -92.4 | 140 | -178.4 | -74.4 | -167.7 | -84.9 | 0 | 0 | 112.6 | L53 E61 E68 L69 | L53-M64 HydrophobicContact CD1-CE 4.43Å; E61-M64 HydrophobicContact CB-CE 4.35Å; E61-M64 PolarHBondContact O-N 3.27Å; M64-E68 HydrophobicContact CB-CB 4.12Å; M64-E68 HydrophobicContact CG-CB 4.34Å; M64-E68 HydrophobicContact SD-CB 4.39Å; M64-L69 HydrophobicContact CB-CD2 4.36Å; M64-L69 HydrophobicContact CB-CG 4.19Å; M64-L69 HydrophobicContact CE-CD2 4.19Å |
| 65 | S | 81.3 | Confident | 69.9 | Low | 41 Ų | 41 | 76.3 Ų | 76.3 | 29% | 0.287 | 42% | 0.422 | S | S | . | . | trans | -70 | 156.2 | 172.3 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | Q67 E68 L69 | S65-Q67 PolarHBondContact O-N 3.43Å; S65-Q67 VanDerWaalsContact O-N 3.12Å; S65-E68 WeakPolarHBondContact CB-OE2 3.32Å; S65-E68 PolarHBondContact N-OE2 2.7Å; S65-E68 PolarHBondContact O-N 2.84Å; S65-E68 VanDerWaalsContact OG-CD 3.29Å; S65-E68 VanDerWaalsContact OG-CG 3.27Å; S65-E68 WeakPolarHBondContact OG-CG 3.32Å; S65-E68 PolarHBondContact OG-N 3.36Å; S65-E68 PolarHBondContact OG-OE2 2.96Å; S65-L69 PolarHBondContact O-N 3.46Å | ||
| 66 | P | 79.9 | Confident | 71.7 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -53.4 | -34.1 | 174.9 | -27 | 35 | 0 | 0 | 0 | 113.3 | L69 Q70 | P66-L69 PolarHBondContact O-N 3.3Å; P66-Q70 VanDerWaalsContact O-CG 3.3Å; P66-Q70 WeakPolarHBondContact O-CG 3.3Å; P66-Q70 PolarHBondContact O-N 3.01Å |
| 67 | Q | 81.5 | Confident | 73.6 | Confident | 117 Ų | 117 | 68.3 Ų | 68.3 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 178.1 | -61.6 | 79.4 | 8.8 | 0 | 0 | 112 | S65 L69 L71 | S65-Q67 PolarHBondContact O-N 3.43Å; S65-Q67 VanDerWaalsContact O-N 3.12Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L71 WeakPolarHBondContact O-CB 3.49Å; Q67-L71 PolarHBondContact O-N 3.41Å |
| 68 | E | 81.8 | Confident | 75.8 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 46% | 0.463 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 174.9 | -75.5 | 163.5 | 141.8 | 0 | 0 | 111.4 | M64 S65 H72 | M64-E68 HydrophobicContact CB-CB 4.12Å; M64-E68 HydrophobicContact CG-CB 4.34Å; M64-E68 HydrophobicContact SD-CB 4.39Å; S65-E68 WeakPolarHBondContact CB-OE2 3.32Å; S65-E68 PolarHBondContact N-OE2 2.7Å; S65-E68 PolarHBondContact O-N 2.84Å; S65-E68 VanDerWaalsContact OG-CD 3.29Å; S65-E68 VanDerWaalsContact OG-CG 3.27Å; S65-E68 WeakPolarHBondContact OG-CG 3.32Å; S65-E68 PolarHBondContact OG-N 3.36Å; S65-E68 PolarHBondContact OG-OE2 2.96Å; E68-H72 VanDerWaalsContact O-CB 3.25Å; E68-H72 WeakPolarHBondContact O-CB 3.29Å; E68-H72 PolarHBondContact O-N 2.89Å |
| 69 | L | 80.4 | Confident | 77.5 | Confident | 21 Ų | 21 | 64.1 Ų | 64.1 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 175.4 | -72.6 | 169.3 | 0 | 0 | 0 | 112.7 | I49 E61 M64 S65 P66 Q67 H72 Y73 | I49-L69 HydrophobicContact CG2-CD2 4.41Å; E61-L69 HydrophobicContact CG-CD1 4.13Å; E61-L69 HydrophobicContact CG-CD2 3.59Å; E61-L69 HydrophobicContact CG-CG 4.44Å; M64-L69 HydrophobicContact CB-CD2 4.36Å; M64-L69 HydrophobicContact CB-CG 4.19Å; M64-L69 HydrophobicContact CE-CD2 4.19Å; S65-L69 PolarHBondContact O-N 3.46Å; P66-L69 PolarHBondContact O-N 3.3Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; L69-H72 PolarHBondContact O-N 2.95Å; L69-Y73 WeakPolarHBondContact O-CB 3.4Å; L69-Y73 PolarHBondContact O-N 2.94Å |
| 70 | Q | 82.5 | Confident | 79.4 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 173.9 | -74 | 176 | -6 | 0 | 0 | 111.7 | V43 P66 H72 Y73 F74 F138 L142 | V43-Q70 HydrophobicContact CG1-CG 4.13Å; P66-Q70 VanDerWaalsContact O-CG 3.3Å; P66-Q70 WeakPolarHBondContact O-CG 3.3Å; P66-Q70 PolarHBondContact O-N 3.01Å; Q70-H72 VanDerWaalsContact C-N 3.3Å; Q70-H72 PolarHBondContact O-N 3.26Å; Q70-Y73 PolarHBondContact O-N 3.42Å; Q70-F74 WeakPolarHBondContact O-CB 3.26Å; Q70-F74 PolarHBondContact O-N 3.29Å; Q70-F138 HydrophobicContact CB-CE1 4.29Å; Q70-L142 HydrophobicContact CB-CD1 4.39Å; Q70-L142 HydrophobicContact CG-CD1 3.69Å |
| 71 | L | 86.6 | Confident | 81.2 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.2 | -177.4 | 63.1 | 0 | 0 | 0 | 111.5 | Q67 F74 K75 Y135 | Q67-L71 WeakPolarHBondContact O-CB 3.49Å; Q67-L71 PolarHBondContact O-N 3.41Å; L71-F74 PolarHBondContact O-N 3.1Å; L71-K75 HydrophobicContact CD1-CD 4.32Å; L71-K75 HydrophobicContact CD1-CG 4.26Å; L71-K75 HydrophobicContact CG-CD 4.41Å; L71-K75 VanDerWaalsContact O-CG 3.3Å; L71-K75 WeakPolarHBondContact O-CG 3.3Å; L71-K75 PolarHBondContact O-N 3.35Å; L71-Y135 HydrophobicContact CB-CE2 4.04Å; L71-Y135 HydrophobicContact CD1-CD2 3.92Å; L71-Y135 HydrophobicContact CD1-CE2 3.65Å; L71-Y135 HydrophobicContact CD1-CG 4.46Å; L71-Y135 HydrophobicContact CG-CE2 4.48Å |
| 72 | H | 83.7 | Confident | 83.3 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 20% | 0.199 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 177.6 | -178.1 | 64.3 | 0 | 0 | 0 | 111.8 | E68 L69 Q70 F74 K75 M76 | E68-H72 VanDerWaalsContact O-CB 3.25Å; E68-H72 WeakPolarHBondContact O-CB 3.29Å; E68-H72 PolarHBondContact O-N 2.89Å; L69-H72 PolarHBondContact O-N 2.95Å; Q70-H72 VanDerWaalsContact C-N 3.3Å; Q70-H72 PolarHBondContact O-N 3.26Å; H72-F74 VanDerWaalsContact C-N 3.31Å; H72-F74 PolarHBondContact O-N 3.39Å; H72-K75 PolarHBondContact O-N 3.26Å; H72-K75 VanDerWaalsContact O-N 3.16Å; H72-M76 WeakPolarHBondContact O-CB 3.43Å; H72-M76 PolarHBondContact O-N 2.74Å |
| 73 | Y | 83.6 | Confident | 85.2 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 6% | 0.059 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 176.7 | -175.2 | -84.1 | 0 | 0 | 0 | 111.7 | V43 I49 L69 Q70 K75 M76 H77 F138 | V43-Y73 HydrophobicContact CG1-CG 4.18Å; V43-Y73 HydrophobicContact CG2-CD1 4.14Å; V43-Y73 HydrophobicContact CG2-CE1 4.12Å; V43-Y73 HydrophobicContact CG2-CG 4.44Å; I49-Y73 HydrophobicContact CD1-CD2 4.46Å; I49-Y73 HydrophobicContact CG1-CD2 4.48Å; L69-Y73 WeakPolarHBondContact O-CB 3.4Å; L69-Y73 PolarHBondContact O-N 2.94Å; Q70-Y73 PolarHBondContact O-N 3.42Å; Y73-K75 PolarHBondContact O-N 2.99Å; Y73-M76 PolarHBondContact O-N 3.48Å; Y73-H77 AromaticContact CE1-ND1 3.91Å; Y73-H77 AromaticContact CE2-CE1 3.71Å; Y73-H77 AromaticContact CZ-CE1 3.74Å; Y73-H77 PolarHBondContact O-ND1 3.1Å; Y73-F138 HydrophobicContact CD1-CE2 4.01Å; Y73-F138 AromaticContact CD1-CZ 3.7Å; Y73-F138 HydrophobicContact CD1-CZ 3.7Å; Y73-F138 HydrophobicContact CE1-CE2 4.27Å; Y73-F138 HydrophobicContact CE1-CZ 4.35Å |
| 74 | F | 89.8 | Confident | 86.7 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.013 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.5 | -50.4 | 175.6 | -177.8 | -88.4 | 0 | 0 | 0 | 111.2 | Q70 L71 H72 M76 H77 D78 N83 L85 Y135 F138 | Q70-F74 WeakPolarHBondContact O-CB 3.26Å; Q70-F74 PolarHBondContact O-N 3.29Å; L71-F74 PolarHBondContact O-N 3.1Å; H72-F74 VanDerWaalsContact C-N 3.31Å; H72-F74 PolarHBondContact O-N 3.39Å; F74-M76 VanDerWaalsContact C-N 3.33Å; F74-M76 PolarHBondContact O-N 2.9Å; F74-H77 PolarHBondContact O-N 2.98Å; F74-D78 PolarHBondContact O-N 2.88Å; F74-N83 WeakPolarHBondContact CZ-O 3.09Å; F74-L85 HydrophobicContact CD2-CD1 3.6Å; F74-L85 HydrophobicContact CD2-CG 3.98Å; F74-L85 HydrophobicContact CE2-CD1 3.78Å; F74-L85 HydrophobicContact CE2-CG 3.72Å; F74-L85 HydrophobicContact CG-CD1 4.41Å; F74-L85 HydrophobicContact CZ-CG 4.22Å; F74-Y135 HydrophobicContact CB-CD2 4.1Å; F74-Y135 HydrophobicContact CB-CE2 4.38Å; F74-Y135 HydrophobicContact CD1-CD2 4.14Å; F74-Y135 HydrophobicContact CD2-CD2 4.05Å; F74-Y135 AromaticContact CG-CD2 3.82Å; F74-Y135 HydrophobicContact CG-CD2 3.82Å; F74-F138 HydrophobicContact CB-CD1 4.42Å; F74-F138 HydrophobicContact CB-CE1 4.27Å; F74-F138 HydrophobicContact CD2-CB 3.99Å; F74-F138 HydrophobicContact CD2-CD1 4.09Å; F74-F138 HydrophobicContact CD2-CD2 4.15Å; F74-F138 AromaticContact CD2-CG 3.84Å; F74-F138 HydrophobicContact CD2-CG 3.84Å; F74-F138 HydrophobicContact CE2-CB 4.2Å |
| 75 | K | 89.5 | Confident | 88 | Confident | 118 Ų | 118 | 56.8 Ų | 56.8 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.7 | -20.7 | -177.7 | -64 | -163.3 | 95 | -173.9 | 0 | 114.6 | L71 H72 Y73 H77 | L71-K75 HydrophobicContact CD1-CD 4.32Å; L71-K75 HydrophobicContact CD1-CG 4.26Å; L71-K75 HydrophobicContact CG-CD 4.41Å; L71-K75 VanDerWaalsContact O-CG 3.3Å; L71-K75 WeakPolarHBondContact O-CG 3.3Å; L71-K75 PolarHBondContact O-N 3.35Å; H72-K75 PolarHBondContact O-N 3.26Å; H72-K75 VanDerWaalsContact O-N 3.16Å; Y73-K75 PolarHBondContact O-N 2.99Å; K75-H77 VanDerWaalsContact C-N 3.29Å |
| 76 | M | 86.6 | Confident | 88.7 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 17% | 0.172 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.1 | -32.4 | 176.7 | -172 | -147.4 | -64.2 | 0 | 0 | 111.3 | H52 H72 Y73 F74 | H52-M76 HydrophobicContact CB-CE 4.07Å; H52-M76 HydrophobicContact CB-SD 4.18Å; H72-M76 WeakPolarHBondContact O-CB 3.43Å; H72-M76 PolarHBondContact O-N 2.74Å; Y73-M76 PolarHBondContact O-N 3.48Å; F74-M76 VanDerWaalsContact C-N 3.33Å; F74-M76 PolarHBondContact O-N 2.9Å |
| 77 | H | 88.9 | Confident | 89.4 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -100.6 | -9.3 | -176 | -61.7 | 94.1 | 0 | 0 | 0 | 113.9 | Y73 F74 K75 Y79 L85 E89 A93 | Y73-H77 AromaticContact CE1-ND1 3.91Å; Y73-H77 AromaticContact CE2-CE1 3.71Å; Y73-H77 AromaticContact CZ-CE1 3.74Å; Y73-H77 PolarHBondContact O-ND1 3.1Å; F74-H77 PolarHBondContact O-N 2.98Å; K75-H77 VanDerWaalsContact C-N 3.29Å; H77-Y79 WeakPolarHBondContact O-CD2 3.45Å; H77-Y79 PolarHBondContact O-N 3.26Å; H77-Y79 VanDerWaalsContact O-N 3.14Å; H77-L85 HydrophobicContact CB-CD2 4.06Å; H77-E89 WeakPolarHBondContact O-CB 3.38Å; H77-E89 VanDerWaalsContact O-CG 3.32Å; H77-E89 WeakPolarHBondContact O-CG 3.4Å; H77-A93 HydrophobicContact CB-CB 4.38Å; H77-A93 VanDerWaalsContact CD2-CA 3.47Å; H77-A93 WeakPolarHBondContact CD2-CA 3.46Å; H77-A93 VanDerWaalsContact CD2-CB 3.41Å; H77-A93 WeakPolarHBondContact CD2-CB 3.48Å |
| 78 | D | 91.9 | Very high | 90 | Very high | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | trans | -76.4 | 86.4 | 167.6 | 174.7 | 13 | 0 | 0 | 0 | 109.5 | F74 G81 N82 N83 L85 E89 | F74-D78 PolarHBondContact O-N 2.88Å; D78-G81 WeakPolarHBondContact OD1-CA 3.25Å; D78-G81 PolarHBondContact OD1-N 2.97Å; D78-G81 WeakPolarHBondContact OD2-CA 3.13Å; D78-N82 PolarHBondContact OD1-N 3Å; D78-N82 VanDerWaalsContact OD1-N 3.12Å; D78-N83 VanDerWaalsContact OD2-CA 3.25Å; D78-N83 WeakPolarHBondContact OD2-CA 3.43Å; D78-N83 PolarHBondContact OD2-N 3.22Å; D78-L85 HydrophobicContact CB-CD2 4.29Å; D78-E89 WeakPolarHBondContact CA-OE1 3.31Å | ||
| 79 | Y | 89.7 | Confident | 90.6 | Very high | 148 Ų | 148 | 50.5 Ų | 50.5 | 58% | 0.58 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -79.6 | -25.3 | -172.1 | -65.7 | -62 | 0 | 0 | 0 | 112.8 | H77 E89 A92 | H77-Y79 WeakPolarHBondContact O-CD2 3.45Å; H77-Y79 PolarHBondContact O-N 3.26Å; H77-Y79 VanDerWaalsContact O-N 3.14Å; Y79-E89 HydrophobicContact CD2-CG 4.02Å; Y79-E89 PolarHBondContact N-OE1 3.39Å; Y79-A92 HydrophobicContact CE2-CB 3.88Å |
| 80 | D | 92.8 | Very high | 91.2 | Very high | 104 Ų | 104 | 49.8 Ų | 49.8 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -95.9 | -11.3 | -179.9 | 80.4 | 2.9 | 0 | 0 | 0 | 113.4 | N82 | D80-N82 VanDerWaalsContact CG-ND2 3.29Å; D80-N82 WeakPolarHBondContact OD1-CB 3.17Å; D80-N82 PolarHBondContact OD1-N 2.76Å; D80-N82 PolarHBondContact OD1-ND2 2.93Å; D80-N82 PolarHBondContact OD1-OD1 3.03Å; D80-N82 PolarHBondContact OD2-ND2 3.32Å |
| 81 | G | 94.4 | Very high | 91.5 | Very high | 46 Ų | 46 | 48.7 Ų | 48.7 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 77.4 | 20 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D78 N83 | D78-G81 WeakPolarHBondContact OD1-CA 3.25Å; D78-G81 PolarHBondContact OD1-N 2.97Å; D78-G81 WeakPolarHBondContact OD2-CA 3.13Å; G81-N83 VanDerWaalsContact C-N 3.25Å; G81-N83 PolarHBondContact O-N 3.25Å |
| 82 | N | 96.1 | Very high | 91.5 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -79.8 | -6.6 | -179.5 | 70.9 | 20.7 | 0 | 0 | 0 | 112.7 | D78 D80 L84 | D78-N82 PolarHBondContact OD1-N 3Å; D78-N82 VanDerWaalsContact OD1-N 3.12Å; D80-N82 VanDerWaalsContact CG-ND2 3.29Å; D80-N82 WeakPolarHBondContact OD1-CB 3.17Å; D80-N82 PolarHBondContact OD1-N 2.76Å; D80-N82 PolarHBondContact OD1-ND2 2.93Å; D80-N82 PolarHBondContact OD1-OD1 3.03Å; D80-N82 PolarHBondContact OD2-ND2 3.32Å; N82-L84 VanDerWaalsContact C-N 3.31Å; N82-L84 VanDerWaalsContact OD1-CA 3.32Å; N82-L84 WeakPolarHBondContact OD1-CA 3.25Å; N82-L84 WeakPolarHBondContact OD1-CB 3.34Å; N82-L84 PolarHBondContact OD1-N 2.85Å; N82-L84 PolarHBondContact OD1-O 3.02Å |
| 83 | N | 94.8 | Very high | 91.6 | Very high | 89 Ų | 89 | 45 Ų | 45 | 48% | 0.476 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 63.4 | 31.7 | -174.8 | -45 | -91.7 | 0 | 0 | 0 | 114.1 | F74 D78 G81 | F74-N83 WeakPolarHBondContact CZ-O 3.09Å; D78-N83 VanDerWaalsContact OD2-CA 3.25Å; D78-N83 WeakPolarHBondContact OD2-CA 3.43Å; D78-N83 PolarHBondContact OD2-N 3.22Å; G81-N83 VanDerWaalsContact C-N 3.25Å; G81-N83 PolarHBondContact O-N 3.25Å |
| 84 | L | 96.8 | Very high | 91.6 | Very high | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.246 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.4 | 175.4 | -58.2 | 171.3 | 0 | 0 | 0 | 107.2 | N82 E89 Y132 D134 | N82-L84 VanDerWaalsContact C-N 3.31Å; N82-L84 VanDerWaalsContact OD1-CA 3.32Å; N82-L84 WeakPolarHBondContact OD1-CA 3.25Å; N82-L84 WeakPolarHBondContact OD1-CB 3.34Å; N82-L84 PolarHBondContact OD1-N 2.85Å; N82-L84 PolarHBondContact OD1-O 3.02Å; L84-E89 VanDerWaalsContact O-OE2 3.14Å; L84-Y132 HydrophobicContact CB-CD1 3.78Å; L84-Y132 HydrophobicContact CB-CG 4.09Å; L84-Y132 HydrophobicContact CD1-CD1 4.17Å; L84-Y132 HydrophobicContact CD1-CD2 4.48Å; L84-Y132 HydrophobicContact CD1-CG 4.06Å; L84-D134 HydrophobicContact CD2-CB 3.79Å |
| 85 | L | 95.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.3 | 171.9 | -66 | 175.4 | 0 | 0 | 0 | 109.8 | F74 H77 D78 E89 L90 Y132 I133 F138 | F74-L85 HydrophobicContact CD2-CD1 3.6Å; F74-L85 HydrophobicContact CD2-CG 3.98Å; F74-L85 HydrophobicContact CE2-CD1 3.78Å; F74-L85 HydrophobicContact CE2-CG 3.72Å; F74-L85 HydrophobicContact CG-CD1 4.41Å; F74-L85 HydrophobicContact CZ-CG 4.22Å; H77-L85 HydrophobicContact CB-CD2 4.06Å; D78-L85 HydrophobicContact CB-CD2 4.29Å; L85-E89 WeakPolarHBondContact CA-OE2 3.28Å; L85-E89 HydrophobicContact CD2-CB 4.15Å; L85-L90 HydrophobicContact CB-CD2 4.33Å; L85-L90 HydrophobicContact CB-CG 4.45Å; L85-L90 HydrophobicContact CD1-CD2 4.42Å; L85-Y132 CarbonylContact O-C 3.57Å; L85-Y132 WeakPolarHBondContact O-CA 3.49Å; L85-I133 HydrophobicContact CB-CB 4.35Å; L85-I133 PolarHBondContact N-O 2.85Å; L85-I133 PolarHBondContact O-N 3.4Å; L85-F138 HydrophobicContact CD1-CD2 4.24Å; L85-F138 HydrophobicContact CD1-CE2 4.5Å |
| 86 | D | 96.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 43.3 Ų | 43.3 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | trans | -88.9 | 172.5 | 173.4 | 78 | 33.5 | 0 | 0 | 0 | 112.8 | L88 E89 L90 Y132 | D86-L88 VanDerWaalsContact C-N 3.25Å; D86-L88 PolarHBondContact O-N 3.19Å; D86-L88 VanDerWaalsContact OD1-CA 3.32Å; D86-L88 WeakPolarHBondContact OD1-CA 3.45Å; D86-L88 VanDerWaalsContact OD1-CB 3.28Å; D86-L88 WeakPolarHBondContact OD1-CB 3.27Å; D86-L88 PolarHBondContact OD1-N 2.65Å; D86-E89 PolarHBondContact N-OE2 3.5Å; D86-E89 PolarHBondContact O-N 3.46Å; D86-E89 PolarHBondContact OD1-N 2.53Å; D86-L90 WeakPolarHBondContact O-CB 3.38Å; D86-L90 VanDerWaalsContact O-CG 3.3Å; D86-L90 WeakPolarHBondContact O-CG 3.17Å; D86-L90 PolarHBondContact O-N 3.02Å; D86-Y132 HydrophobicContact CB-CD1 3.75Å; D86-Y132 HydrophobicContact CB-CE1 3.68Å | ||
| 87 | G | 94.2 | Very high | 89.6 | Confident | 20 Ų | 20 | 42 Ų | 42 | 21% | 0.206 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -28.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A91 | G87-A91 VanDerWaalsContact O-CB 3.29Å; G87-A91 WeakPolarHBondContact O-CB 3.28Å; G87-A91 PolarHBondContact O-N 2.76Å |
| 88 | L | 94.6 | Very high | 88.7 | Confident | 139 Ų | 139 | 44.5 Ų | 44.5 | 73% | 0.728 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -77.6 | -36.7 | 176.6 | -61.7 | 175.8 | 0 | 0 | 0 | 111.4 | D86 A91 A92 | D86-L88 VanDerWaalsContact C-N 3.25Å; D86-L88 PolarHBondContact O-N 3.19Å; D86-L88 VanDerWaalsContact OD1-CA 3.32Å; D86-L88 WeakPolarHBondContact OD1-CA 3.45Å; D86-L88 VanDerWaalsContact OD1-CB 3.28Å; D86-L88 WeakPolarHBondContact OD1-CB 3.27Å; D86-L88 PolarHBondContact OD1-N 2.65Å; L88-A91 WeakPolarHBondContact O-CB 3.49Å; L88-A91 PolarHBondContact O-N 2.99Å; L88-A92 PolarHBondContact O-N 3.28Å |
| 89 | E | 93.9 | Very high | 87.4 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 173.9 | -67.6 | 176.4 | 138.5 | 0 | 0 | 110.9 | H77 D78 Y79 L84 L85 D86 A91 A92 A93 | H77-E89 WeakPolarHBondContact O-CB 3.38Å; H77-E89 VanDerWaalsContact O-CG 3.32Å; H77-E89 WeakPolarHBondContact O-CG 3.4Å; D78-E89 WeakPolarHBondContact CA-OE1 3.31Å; Y79-E89 HydrophobicContact CD2-CG 4.02Å; Y79-E89 PolarHBondContact N-OE1 3.39Å; L84-E89 VanDerWaalsContact O-OE2 3.14Å; L85-E89 WeakPolarHBondContact CA-OE2 3.28Å; L85-E89 HydrophobicContact CD2-CB 4.15Å; D86-E89 PolarHBondContact N-OE2 3.5Å; D86-E89 PolarHBondContact O-N 3.46Å; D86-E89 PolarHBondContact OD1-N 2.53Å; E89-A91 VanDerWaalsContact C-N 3.33Å; E89-A91 PolarHBondContact O-N 2.74Å; E89-A92 PolarHBondContact O-N 3.16Å; E89-A93 WeakPolarHBondContact O-CB 3.49Å; E89-A93 PolarHBondContact O-N 3.12Å |
| 90 | L | 91.8 | Very high | 85.9 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 169.8 | -67.8 | 173.4 | 0 | 0 | 0 | 111.5 | L38 L85 D86 A92 A93 I94 I118 V121 L122 I133 | L38-L90 HydrophobicContact CD1-CD2 4.15Å; L85-L90 HydrophobicContact CB-CD2 4.33Å; L85-L90 HydrophobicContact CB-CG 4.45Å; L85-L90 HydrophobicContact CD1-CD2 4.42Å; D86-L90 WeakPolarHBondContact O-CB 3.38Å; D86-L90 VanDerWaalsContact O-CG 3.3Å; D86-L90 WeakPolarHBondContact O-CG 3.17Å; D86-L90 PolarHBondContact O-N 3.02Å; L90-A92 VanDerWaalsContact C-N 3.31Å; L90-A92 PolarHBondContact O-N 3.39Å; L90-A93 PolarHBondContact O-N 3.34Å; L90-I94 WeakPolarHBondContact O-CB 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.27Å; L90-I94 WeakPolarHBondContact O-CG1 3.29Å; L90-I94 PolarHBondContact O-N 2.84Å; L90-I118 HydrophobicContact CB-CG1 4.48Å; L90-V121 HydrophobicContact CD1-CG1 3.84Å; L90-V121 HydrophobicContact CD2-CG1 4.26Å; L90-L122 HydrophobicContact CD1-CD2 3.95Å; L90-L122 HydrophobicContact CD1-CG 4.25Å; L90-I133 HydrophobicContact CD1-CG1 4.33Å |
| 91 | A | 90.2 | Very high | 84.4 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | G87 L88 E89 S95 L114 I118 | G87-A91 VanDerWaalsContact O-CB 3.29Å; G87-A91 WeakPolarHBondContact O-CB 3.28Å; G87-A91 PolarHBondContact O-N 2.76Å; L88-A91 WeakPolarHBondContact O-CB 3.49Å; L88-A91 PolarHBondContact O-N 2.99Å; E89-A91 VanDerWaalsContact C-N 3.33Å; E89-A91 PolarHBondContact O-N 2.74Å; A91-S95 WeakPolarHBondContact O-CB 3.3Å; A91-S95 PolarHBondContact O-N 3.33Å; A91-S95 PolarHBondContact O-OG 3.41Å; A91-L114 HydrophobicContact CB-CD1 4.43Å; A91-L114 HydrophobicContact CB-CD2 4.18Å; A91-L114 HydrophobicContact CB-CG 4.45Å; A91-I118 HydrophobicContact CB-CD1 3.57Å |
| 92 | A | 86.8 | Confident | 82.6 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y79 L88 E89 L90 S95 H96 | Y79-A92 HydrophobicContact CE2-CB 3.88Å; L88-A92 PolarHBondContact O-N 3.28Å; E89-A92 PolarHBondContact O-N 3.16Å; L90-A92 VanDerWaalsContact C-N 3.31Å; L90-A92 PolarHBondContact O-N 3.39Å; A92-S95 PolarHBondContact O-N 2.94Å; A92-H96 VanDerWaalsContact O-CB 3.3Å; A92-H96 WeakPolarHBondContact O-CB 3.42Å; A92-H96 PolarHBondContact O-N 2.9Å |
| 93 | A | 84.8 | Confident | 80.8 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H77 E89 L90 H96 V97 | H77-A93 HydrophobicContact CB-CB 4.38Å; H77-A93 VanDerWaalsContact CD2-CA 3.47Å; H77-A93 WeakPolarHBondContact CD2-CA 3.46Å; H77-A93 VanDerWaalsContact CD2-CB 3.41Å; H77-A93 WeakPolarHBondContact CD2-CB 3.48Å; E89-A93 WeakPolarHBondContact O-CB 3.49Å; E89-A93 PolarHBondContact O-N 3.12Å; L90-A93 PolarHBondContact O-N 3.34Å; A93-H96 WeakPolarHBondContact O-CB 3.38Å; A93-H96 PolarHBondContact O-N 3.39Å; A93-V97 PolarHBondContact O-N 3.34Å; A93-V97 VanDerWaalsContact O-N 3.12Å |
| 94 | I | 83.9 | Confident | 78.9 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | -180 | -64.1 | 165 | 0 | 0 | 0 | 110.7 | L90 H96 V97 H98 M109 L114 L117 I118 | L90-I94 WeakPolarHBondContact O-CB 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.27Å; L90-I94 WeakPolarHBondContact O-CG1 3.29Å; L90-I94 PolarHBondContact O-N 2.84Å; I94-H96 VanDerWaalsContact C-N 3.26Å; I94-H96 PolarHBondContact O-N 3.45Å; I94-V97 PolarHBondContact O-N 3.49Å; I94-H98 WeakPolarHBondContact O-CB 3.29Å; I94-H98 PolarHBondContact O-N 3Å; I94-M109 HydrophobicContact CG2-CE 3.69Å; I94-L114 HydrophobicContact CB-CD1 4.07Å; I94-L114 HydrophobicContact CG2-CD1 3.98Å; I94-L117 HydrophobicContact CD1-CB 4.19Å; I94-L117 HydrophobicContact CG2-CD1 3.98Å; I94-I118 HydrophobicContact CD1-CG1 4.18Å |
| 95 | S | 80.2 | Confident | 76.7 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 25% | 0.252 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.4 | -32.1 | 178.1 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | A91 A92 K99 | A91-S95 WeakPolarHBondContact O-CB 3.3Å; A91-S95 PolarHBondContact O-N 3.33Å; A91-S95 PolarHBondContact O-OG 3.41Å; A92-S95 PolarHBondContact O-N 2.94Å; S95-K99 WeakPolarHBondContact O-CG 3.38Å; S95-K99 PolarHBondContact O-N 3.3Å |
| 96 | H | 73.7 | Confident | 74.8 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 23% | 0.231 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -54.7 | 174.1 | -173.4 | -83.2 | 0 | 0 | 0 | 109.7 | H52 A92 A93 I94 H98 K99 E100 | H52-H96 AromaticContact CE1-NE2 3.62Å; H52-H96 AromaticContact ND1-NE2 3.39Å; H52-H96 PolarHBondContact ND1-NE2 3.33Å; A92-H96 VanDerWaalsContact O-CB 3.3Å; A92-H96 WeakPolarHBondContact O-CB 3.42Å; A92-H96 PolarHBondContact O-N 2.9Å; A93-H96 WeakPolarHBondContact O-CB 3.38Å; A93-H96 PolarHBondContact O-N 3.39Å; I94-H96 VanDerWaalsContact C-N 3.26Å; I94-H96 PolarHBondContact O-N 3.45Å; H96-H98 VanDerWaalsContact C-N 3.31Å; H96-H98 PolarHBondContact O-N 3.45Å; H96-K99 PolarHBondContact O-N 3.47Å; H96-E100 WeakPolarHBondContact O-CB 3.39Å; H96-E100 VanDerWaalsContact O-CG 3.28Å; H96-E100 WeakPolarHBondContact O-CG 3.41Å; H96-E100 PolarHBondContact O-N 3.16Å |
| 97 | V | 70.4 | Confident | 73.2 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 179.8 | 177.1 | 0 | 0 | 0 | 0 | 112.3 | L42 A93 I94 K99 E100 E101 | L42-V97 HydrophobicContact CD2-CB 3.88Å; L42-V97 HydrophobicContact CD2-CG1 3.79Å; L42-V97 HydrophobicContact CD2-CG2 3.95Å; A93-V97 PolarHBondContact O-N 3.34Å; A93-V97 VanDerWaalsContact O-N 3.12Å; I94-V97 PolarHBondContact O-N 3.49Å; V97-K99 PolarHBondContact O-N 3.03Å; V97-E100 WeakPolarHBondContact O-CB 3.3Å; V97-E100 PolarHBondContact O-N 3.19Å; V97-E101 HydrophobicContact CG1-CG 4.27Å; V97-E101 PolarHBondContact O-N 3.43Å |
| 98 | H | 68.6 | Low | 72 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | -179.1 | -173 | 80.1 | 0 | 0 | 0 | 114.3 | I94 H96 E100 | I94-H98 WeakPolarHBondContact O-CB 3.29Å; I94-H98 PolarHBondContact O-N 3Å; H96-H98 VanDerWaalsContact C-N 3.31Å; H96-H98 PolarHBondContact O-N 3.45Å; H98-E100 VanDerWaalsContact C-N 3.27Å |
| 99 | K | 64.6 | Low | 71.1 | Confident | 131 Ų | 131 | 64.9 Ų | 64.9 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.8 | -36 | 177 | -75.6 | 175.6 | 179.7 | 176 | 0 | 111.8 | S95 H96 V97 G103 | S95-K99 WeakPolarHBondContact O-CG 3.38Å; S95-K99 PolarHBondContact O-N 3.3Å; H96-K99 PolarHBondContact O-N 3.47Å; V97-K99 PolarHBondContact O-N 3.03Å; K99-G103 PolarHBondContact O-N 2.87Å |
| 100 | E | 59.1 | Low | 70.6 | Confident | 57 Ų | 57 | 71.4 Ų | 71.4 | 27% | 0.266 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -71.3 | -46.3 | -176.5 | -85.1 | -49.3 | 131.5 | 0 | 0 | 111.5 | H48 H96 V97 H98 G102 | H48-E100 WeakPolarHBondContact CE1-CB 3.46Å; H48-E100 IonicContact CE1-OE2 3.2Å; H48-E100 PolarHBondContact CE1-OE2 3.25Å; H48-E100 WeakPolarHBondContact ND1-CB 3.44Å; H48-E100 IonicContact ND1-OE2 3.89Å; H48-E100 PolarHBondContact ND1-OE2 3.24Å; H96-E100 WeakPolarHBondContact O-CB 3.39Å; H96-E100 VanDerWaalsContact O-CG 3.28Å; H96-E100 WeakPolarHBondContact O-CG 3.41Å; H96-E100 PolarHBondContact O-N 3.16Å; V97-E100 WeakPolarHBondContact O-CB 3.3Å; V97-E100 PolarHBondContact O-N 3.19Å; H98-E100 VanDerWaalsContact C-N 3.27Å; E100-G102 VanDerWaalsContact C-N 3.27Å; E100-G102 PolarHBondContact O-N 3.04Å |
| 101 | E | 60.8 | Low | 70.4 | Confident | 126 Ų | 126 | 77.7 Ų | 77.7 | 59% | 0.589 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.4 | -26.7 | 176.4 | -73 | -173.5 | 168.2 | 0 | 0 | 113.9 | V97 | V97-E101 HydrophobicContact CG1-CG 4.27Å; V97-E101 PolarHBondContact O-N 3.43Å |
| 102 | G | 57.3 | Low | 70.3 | Confident | 36 Ų | 36 | 83.4 Ų | 83.4 | 37% | 0.371 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -2.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E100 T106 | E100-G102 VanDerWaalsContact C-N 3.27Å; E100-G102 PolarHBondContact O-N 3.04Å; G102-T106 WeakPolarHBondContact CA-OG1 3.41Å; G102-T106 PolarHBondContact O-OG1 2.73Å |
| 103 | G | 57.2 | Low | 70.3 | Confident | 41 Ų | 41 | 85.9 Ų | 85.9 | 42% | 0.423 | 44% | 0.441 | S | S | . | . | trans | 63.4 | 179.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K99 H105 T106 | K99-G103 PolarHBondContact O-N 2.87Å; G103-H105 PolarHBondContact O-N 2.65Å; G103-T106 PolarHBondContact O-N 2.84Å; G103-T106 VanDerWaalsContact O-N 3.12Å; G103-T106 PolarHBondContact O-OG1 3.5Å | ||
| 104 | E | 54.9 | Low | 70.5 | Confident | 212 Ų | 212 | 87 Ų | 87 | 99% | 0.991 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -8.1 | -175.2 | -74.7 | -165.6 | 135.5 | 0 | 0 | 116.1 | ||
| 105 | H | 51.2 | Low | 70.7 | Confident | 188 Ų | 188 | 90.1 Ų | 90.1 | 87% | 0.87 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 5.1 | -176 | -107.7 | -62.3 | 0 | 0 | 0 | 115.3 | G103 | G103-H105 PolarHBondContact O-N 2.65Š|
| 106 | T | 56.8 | Low | 71.2 | Confident | 58 Ų | 58 | 89.8 Ų | 89.8 | 36% | 0.356 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 135.5 | 175.5 | 2.9 | 0 | 0 | 0 | 0 | 111.2 | G102 G103 A108 | G102-T106 WeakPolarHBondContact CA-OG1 3.41Å; G102-T106 PolarHBondContact O-OG1 2.73Å; G103-T106 PolarHBondContact O-N 2.84Å; G103-T106 VanDerWaalsContact O-N 3.12Å; G103-T106 PolarHBondContact O-OG1 3.5Å; T106-A108 PolarHBondContact O-N 2.95Å |
| 107 | Q | 62.9 | Low | 72 | Confident | 173 Ų | 173 | 87.7 Ų | 87.7 | 81% | 0.808 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 135.6 | 166.1 | -70.9 | -176.5 | -21.2 | 0 | 0 | 108.1 | M109 | Q107-M109 PolarHBondContact O-N 3.1Š|
| 108 | A | 67.4 | Low | 73 | Confident | 80 Ų | 80 | 88.2 Ų | 88.2 | 66% | 0.661 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 135.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | T106 K110 | T106-A108 PolarHBondContact O-N 2.95Å; A108-K110 PolarHBondContact O-N 3.29Å |
| 109 | M | 75.9 | Confident | 74.1 | Confident | 28 Ų | 28 | 89.8 Ų | 89.8 | 14% | 0.138 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 141.3 | 176.2 | -162.8 | 165.8 | 62.2 | 0 | 0 | 109.4 | I94 Q107 E113 L114 L117 | I94-M109 HydrophobicContact CG2-CE 3.69Å; Q107-M109 PolarHBondContact O-N 3.1Å; M109-E113 HydrophobicContact CG-CB 4.08Å; M109-E113 HydrophobicContact CG-CG 3.97Å; M109-E113 HydrophobicContact SD-CG 4.03Å; M109-L114 HydrophobicContact CE-CB 3.67Å; M109-L114 HydrophobicContact CE-CD1 3.36Å; M109-L114 HydrophobicContact CE-CG 4.08Å; M109-L117 HydrophobicContact CE-CD1 3.79Å; M109-L117 HydrophobicContact SD-CD1 3.77Å |
| 110 | K | 85.1 | Confident | 75.4 | Confident | 145 Ų | 145 | 85.1 Ų | 85.1 | 63% | 0.63 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 144.6 | 178.7 | -71.1 | 179.9 | -178.5 | 172.1 | 0 | 109.6 | A108 E112 E113 L114 | A108-K110 PolarHBondContact O-N 3.29Å; K110-E112 PolarHBondContact O-N 3.36Å; K110-E113 HydrophobicContact CB-CB 4.35Å; K110-E113 WeakPolarHBondContact O-CB 3.47Å; K110-E113 PolarHBondContact O-N 2.71Å; K110-E113 VanDerWaalsContact O-N 3.1Å; K110-L114 PolarHBondContact O-N 3.41Å |
| 111 | E | 85.9 | Confident | 77 | Confident | 139 Ų | 139 | 82.7 Ų | 82.7 | 65% | 0.65 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.3 | -38.6 | -179.5 | -174 | 174.2 | 179.3 | 0 | 0 | 111.4 | E113 L114 I115 | E111-E113 VanDerWaalsContact C-N 3.3Å; E111-E113 PolarHBondContact O-N 2.87Å; E111-L114 PolarHBondContact O-N 2.85Å; E111-I115 HydrophobicContact CG-CD1 3.92Å; E111-I115 HydrophobicContact CG-CG1 4.49Å; E111-I115 VanDerWaalsContact O-CG1 3.26Å; E111-I115 WeakPolarHBondContact O-CG1 3.49Å; E111-I115 PolarHBondContact O-N 3.13Å |
| 112 | E | 88.7 | Confident | 78.5 | Confident | 135 Ų | 135 | 78.4 Ų | 78.4 | 63% | 0.631 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.6 | -34.4 | 178.8 | -58.3 | 79.7 | -170.3 | 0 | 0 | 112.6 | K110 S116 | K110-E112 PolarHBondContact O-N 3.36Å; E112-S116 WeakPolarHBondContact O-CB 3.41Å; E112-S116 PolarHBondContact O-N 2.74Å; E112-S116 VanDerWaalsContact O-N 3.07Å |
| 113 | E | 87.3 | Confident | 80.3 | Confident | 87 Ų | 87 | 84.1 Ų | 84.1 | 41% | 0.407 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.4 | -42.2 | 176 | -175.1 | 172.8 | -165 | 0 | 0 | 110.6 | M109 K110 E111 I115 S116 L117 | M109-E113 HydrophobicContact CG-CB 4.08Å; M109-E113 HydrophobicContact CG-CG 3.97Å; M109-E113 HydrophobicContact SD-CG 4.03Å; K110-E113 HydrophobicContact CB-CB 4.35Å; K110-E113 WeakPolarHBondContact O-CB 3.47Å; K110-E113 PolarHBondContact O-N 2.71Å; K110-E113 VanDerWaalsContact O-N 3.1Å; E111-E113 VanDerWaalsContact C-N 3.3Å; E111-E113 PolarHBondContact O-N 2.87Å; E113-I115 PolarHBondContact O-N 3.42Å; E113-S116 WeakPolarHBondContact O-CB 3.19Å; E113-S116 PolarHBondContact O-N 2.81Å; E113-L117 VanDerWaalsContact O-CG 3.29Å; E113-L117 WeakPolarHBondContact O-CG 3.3Å; E113-L117 PolarHBondContact O-N 3.12Å |
| 114 | L | 87.6 | Confident | 82 | Confident | 28 Ų | 28 | 84.5 Ų | 84.5 | 15% | 0.147 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 174.7 | -176.3 | 59.9 | 0 | 0 | 0 | 112.1 | A91 I94 M109 K110 E111 L117 I118 | A91-L114 HydrophobicContact CB-CD1 4.43Å; A91-L114 HydrophobicContact CB-CD2 4.18Å; A91-L114 HydrophobicContact CB-CG 4.45Å; I94-L114 HydrophobicContact CB-CD1 4.07Å; I94-L114 HydrophobicContact CG2-CD1 3.98Å; M109-L114 HydrophobicContact CE-CB 3.67Å; M109-L114 HydrophobicContact CE-CD1 3.36Å; M109-L114 HydrophobicContact CE-CG 4.08Å; K110-L114 PolarHBondContact O-N 3.41Å; E111-L114 PolarHBondContact O-N 2.85Å; L114-L117 PolarHBondContact O-N 3Å; L114-I118 HydrophobicContact CD1-CD1 4.18Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 WeakPolarHBondContact O-CD1 3.07Å; L114-I118 VanDerWaalsContact O-CG1 3.28Å; L114-I118 WeakPolarHBondContact O-CG1 3.27Å; L114-I118 PolarHBondContact O-N 3.45Å |
| 115 | I | 89.5 | Confident | 83.8 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 40% | 0.4 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 177.3 | -68.7 | 165 | 0 | 0 | 0 | 110.1 | E111 E113 L117 I118 D119 | E111-I115 HydrophobicContact CG-CD1 3.92Å; E111-I115 HydrophobicContact CG-CG1 4.49Å; E111-I115 VanDerWaalsContact O-CG1 3.26Å; E111-I115 WeakPolarHBondContact O-CG1 3.49Å; E111-I115 PolarHBondContact O-N 3.13Å; E113-I115 PolarHBondContact O-N 3.42Å; I115-L117 PolarHBondContact O-N 3.49Å; I115-I118 PolarHBondContact O-N 3.36Å; I115-I118 VanDerWaalsContact O-N 3.17Å; I115-D119 WeakPolarHBondContact O-CB 3.41Å; I115-D119 PolarHBondContact O-N 2.94Å |
| 116 | S | 90.5 | Very high | 85.9 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.4 | -40.6 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 112 | E112 E113 D120 | E112-S116 WeakPolarHBondContact O-CB 3.41Å; E112-S116 PolarHBondContact O-N 2.74Å; E112-S116 VanDerWaalsContact O-N 3.07Å; E113-S116 WeakPolarHBondContact O-CB 3.19Å; E113-S116 PolarHBondContact O-N 2.81Å; S116-D120 WeakPolarHBondContact O-CB 3.37Å; S116-D120 PolarHBondContact O-N 2.84Å |
| 117 | L | 89.4 | Confident | 87.8 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68 | -42.2 | 178.6 | -69.7 | 177.1 | 0 | 0 | 0 | 112.5 | I36 I94 M109 E113 L114 I115 D120 V121 | I36-L117 HydrophobicContact CB-CD2 3.55Å; I36-L117 HydrophobicContact CD1-CD1 4.16Å; I36-L117 HydrophobicContact CD1-CD2 4.05Å; I36-L117 HydrophobicContact CG1-CD2 4.18Å; I36-L117 HydrophobicContact CG2-CD2 4.05Å; I94-L117 HydrophobicContact CD1-CB 4.19Å; I94-L117 HydrophobicContact CG2-CD1 3.98Å; M109-L117 HydrophobicContact CE-CD1 3.79Å; M109-L117 HydrophobicContact SD-CD1 3.77Å; E113-L117 VanDerWaalsContact O-CG 3.29Å; E113-L117 WeakPolarHBondContact O-CG 3.3Å; E113-L117 PolarHBondContact O-N 3.12Å; L114-L117 PolarHBondContact O-N 3Å; I115-L117 PolarHBondContact O-N 3.49Å; L117-D120 PolarHBondContact O-N 3.3Å; L117-V121 VanDerWaalsContact O-CG2 3.31Å; L117-V121 WeakPolarHBondContact O-CG2 3.25Å; L117-V121 PolarHBondContact O-N 3.33Å |
| 118 | I | 91.4 | Very high | 89.3 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 177.3 | -65.2 | 158.5 | 0 | 0 | 0 | 110.2 | L90 A91 I94 L114 I115 D120 V121 L122 | L90-I118 HydrophobicContact CB-CG1 4.48Å; A91-I118 HydrophobicContact CB-CD1 3.57Å; I94-I118 HydrophobicContact CD1-CG1 4.18Å; L114-I118 HydrophobicContact CD1-CD1 4.18Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 WeakPolarHBondContact O-CD1 3.07Å; L114-I118 VanDerWaalsContact O-CG1 3.28Å; L114-I118 WeakPolarHBondContact O-CG1 3.27Å; L114-I118 PolarHBondContact O-N 3.45Å; I115-I118 PolarHBondContact O-N 3.36Å; I115-I118 VanDerWaalsContact O-N 3.17Å; I118-D120 VanDerWaalsContact C-N 3.27Å; I118-D120 PolarHBondContact O-N 3.33Å; I118-V121 PolarHBondContact O-N 3.32Å; I118-L122 HydrophobicContact CG2-CD1 3.93Å; I118-L122 HydrophobicContact CG2-CG 4.36Å; I118-L122 WeakPolarHBondContact O-CG 3.4Å; I118-L122 PolarHBondContact O-N 2.93Å |
| 119 | D | 92.9 | Very high | 90.7 | Very high | 90 Ų | 90 | 68.8 Ų | 68.8 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 177.4 | -75.7 | -12.3 | 0 | 0 | 0 | 111.6 | I115 R123 | I115-D119 WeakPolarHBondContact O-CB 3.41Å; I115-D119 PolarHBondContact O-N 2.94Å; D119-R123 WeakPolarHBondContact O-CB 3.19Å; D119-R123 PolarHBondContact O-N 3.05Å |
| 120 | D | 92.1 | Very high | 91.7 | Very high | 33 Ų | 33 | 71 Ų | 71 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 175.6 | -72.5 | -11.7 | 0 | 0 | 0 | 111.8 | S116 L117 I118 R123 D124 | S116-D120 WeakPolarHBondContact O-CB 3.37Å; S116-D120 PolarHBondContact O-N 2.84Å; L117-D120 PolarHBondContact O-N 3.3Å; I118-D120 VanDerWaalsContact C-N 3.27Å; I118-D120 PolarHBondContact O-N 3.33Å; D120-R123 VanDerWaalsContact CG-NH2 3.35Å; D120-R123 IonicContact OD1-CZ 3.97Å; D120-R123 IonicContact OD1-NH1 3.13Å; D120-R123 PolarHBondContact OD1-NH1 3.24Å; D120-R123 IonicContact OD1-NH2 2.87Å; D120-R123 PolarHBondContact OD1-NH2 3.01Å; D120-D124 VanDerWaalsContact O-CB 3.29Å; D120-D124 WeakPolarHBondContact O-CB 3.28Å; D120-D124 PolarHBondContact O-N 3.45Å |
| 121 | V | 91.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -52.9 | 177 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | L38 L90 L117 I118 R123 D124 D125 | L38-V121 HydrophobicContact CD1-CB 4.3Å; L38-V121 HydrophobicContact CD1-CG1 3.51Å; L38-V121 HydrophobicContact CD1-CG2 3.72Å; L90-V121 HydrophobicContact CD1-CG1 3.84Å; L90-V121 HydrophobicContact CD2-CG1 4.26Å; L117-V121 VanDerWaalsContact O-CG2 3.31Å; L117-V121 WeakPolarHBondContact O-CG2 3.25Å; L117-V121 PolarHBondContact O-N 3.33Å; I118-V121 PolarHBondContact O-N 3.32Å; V121-R123 VanDerWaalsContact C-N 3.34Å; V121-R123 PolarHBondContact O-N 3.24Å; V121-D124 PolarHBondContact O-N 3Å; V121-D125 WeakPolarHBondContact O-CB 3.36Å; V121-D125 PolarHBondContact O-N 2.99Å |
| 122 | L | 93.7 | Very high | 92.8 | Very high | 36 Ų | 36 | 63.3 Ų | 63.3 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | -179 | -70.2 | 174.8 | 0 | 0 | 0 | 110.7 | L90 I118 D124 D125 D126 I133 | L90-L122 HydrophobicContact CD1-CD2 3.95Å; L90-L122 HydrophobicContact CD1-CG 4.25Å; I118-L122 HydrophobicContact CG2-CD1 3.93Å; I118-L122 HydrophobicContact CG2-CG 4.36Å; I118-L122 WeakPolarHBondContact O-CG 3.4Å; I118-L122 PolarHBondContact O-N 2.93Å; L122-D124 VanDerWaalsContact C-N 3.28Å; L122-D124 PolarHBondContact O-N 3.27Å; L122-D125 PolarHBondContact O-N 3.39Å; L122-D126 WeakPolarHBondContact O-CB 3.47Å; L122-D126 PolarHBondContact O-N 2.88Å; L122-I133 HydrophobicContact CD2-CD1 4.1Å; L122-I133 HydrophobicContact CD2-CG1 4.04Å |
| 123 | R | 94.6 | Very high | 93.2 | Very high | 155 Ų | 155 | 57 Ų | 57 | 59% | 0.585 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.5 | -38 | 178.2 | -177.1 | -178.5 | 65.8 | -118.2 | 4 | 112.9 | D119 D120 V121 | D119-R123 WeakPolarHBondContact O-CB 3.19Å; D119-R123 PolarHBondContact O-N 3.05Å; D120-R123 VanDerWaalsContact CG-NH2 3.35Å; D120-R123 IonicContact OD1-CZ 3.97Å; D120-R123 IonicContact OD1-NH1 3.13Å; D120-R123 PolarHBondContact OD1-NH1 3.24Å; D120-R123 IonicContact OD1-NH2 2.87Å; D120-R123 PolarHBondContact OD1-NH2 3.01Å; V121-R123 VanDerWaalsContact C-N 3.34Å; V121-R123 PolarHBondContact O-N 3.24Å |
| 124 | D | 91.9 | Very high | 93.6 | Very high | 49 Ų | 49 | 55.3 Ų | 55.3 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -83.8 | -30.5 | -175.8 | -83.3 | 12 | 0 | 0 | 0 | 112.8 | R37 D120 V121 L122 K127 | R37-D124 IonicContact CZ-OD2 2.93Å; R37-D124 IonicContact NH1-OD2 3.5Å; R37-D124 PolarHBondContact NH1-OD2 3.5Å; D120-D124 VanDerWaalsContact O-CB 3.29Å; D120-D124 WeakPolarHBondContact O-CB 3.28Å; D120-D124 PolarHBondContact O-N 3.45Å; V121-D124 PolarHBondContact O-N 3Å; L122-D124 VanDerWaalsContact C-N 3.28Å; L122-D124 PolarHBondContact O-N 3.27Å; D124-K127 WeakPolarHBondContact O-CE 3.5Å; D124-K127 PolarHBondContact O-NZ 3.48Å |
| 125 | D | 93.3 | Very high | 93.9 | Very high | 10 Ų | 10 | 57.6 Ų | 57.6 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -117.2 | -29.7 | -166.8 | -64.2 | -28.1 | 0 | 0 | 0 | 114.2 | V121 L122 K127 I133 S141 | V121-D125 WeakPolarHBondContact O-CB 3.36Å; V121-D125 PolarHBondContact O-N 2.99Å; L122-D125 PolarHBondContact O-N 3.39Å; D125-K127 WeakPolarHBondContact O-CG 3.31Å; D125-K127 PolarHBondContact O-N 2.93Å; D125-I133 HydrophobicContact CB-CD1 3.72Å; D125-S141 WeakPolarHBondContact OD1-CB 3.46Å; D125-S141 WeakPolarHBondContact OD2-CB 3.35Å; D125-S141 PolarHBondContact OD2-OG 3.02Å |
| 126 | D | 95.8 | Very high | 94.1 | Very high | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.08 | 30% | 0.296 | C | S | . | . | trans | -71.7 | 97.4 | 174.5 | -179.8 | -2.8 | 0 | 0 | 0 | 109.2 | L122 N128 N129 D130 G131 I133 | L122-D126 WeakPolarHBondContact O-CB 3.47Å; L122-D126 PolarHBondContact O-N 2.88Å; D126-N128 PolarHBondContact OD1-N 3.4Å; D126-N128 PolarHBondContact OD1-OD1 3.4Å; D126-N129 VanDerWaalsContact CG-CA 3.49Å; D126-N129 WeakPolarHBondContact OD1-CA 3.1Å; D126-N129 PolarHBondContact OD1-N 3.34Å; D126-N129 VanDerWaalsContact OD2-CA 3.25Å; D126-N129 WeakPolarHBondContact OD2-CA 3.4Å; D126-D130 PolarHBondContact OD1-N 3.16Å; D126-D130 PolarHBondContact OD2-N 3.47Å; D126-G131 WeakPolarHBondContact OD2-CA 3.3Å; D126-G131 PolarHBondContact OD2-N 3.37Å; D126-I133 HydrophobicContact CB-CD1 3.72Å | ||
| 127 | K | 96.2 | Very high | 94.3 | Very high | 131 Ų | 131 | 56.4 Ų | 56.4 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -85.1 | -24.6 | -174.1 | -59.7 | -47.5 | -179.5 | -174.3 | 0 | 112.5 | D124 D125 E137 | D124-K127 WeakPolarHBondContact O-CE 3.5Å; D124-K127 PolarHBondContact O-NZ 3.48Å; D125-K127 WeakPolarHBondContact O-CG 3.31Å; D125-K127 PolarHBondContact O-N 2.93Å; K127-E137 WeakPolarHBondContact CB-OE1 3.27Å; K127-E137 HydrophobicContact CG-CG 4.28Å; K127-E137 PolarHBondContact N-OE1 3.12Å |
| 128 | N | 95.9 | Very high | 94.4 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -95.6 | -9.8 | -177.8 | 75.7 | 22.8 | 0 | 0 | 0 | 112 | D126 D130 E137 | D126-N128 PolarHBondContact OD1-N 3.4Å; D126-N128 PolarHBondContact OD1-OD1 3.4Å; N128-D130 PolarHBondContact ND2-OD2 3.13Å; N128-D130 WeakPolarHBondContact OD1-CB 3.44Å; N128-D130 PolarHBondContact OD1-N 3.14Å; N128-D130 PolarHBondContact OD1-OD1 3.49Å; N128-D130 PolarHBondContact OD1-OD2 2.93Å; N128-D130 VanDerWaalsContact OD1-OD2 3.14Å; N128-E137 PolarHBondContact N-OE1 2.8Å |
| 129 | N | 96.5 | Very high | 94.3 | Very high | 140 Ų | 140 | 56.5 Ų | 56.5 | 75% | 0.749 | 29% | 0.294 | S | S | * | . | trans | 58.9 | 39.2 | 179.3 | -153.6 | 102.5 | 0 | 0 | 0 | 113.1 | D126 | D126-N129 VanDerWaalsContact CG-CA 3.49Å; D126-N129 WeakPolarHBondContact OD1-CA 3.1Å; D126-N129 PolarHBondContact OD1-N 3.34Å; D126-N129 VanDerWaalsContact OD2-CA 3.25Å; D126-N129 WeakPolarHBondContact OD2-CA 3.4Å | ||
| 130 | D | 97 | Very high | 94.2 | Very high | 75 Ų | 75 | 58.6 Ų | 58.6 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -90.5 | -5 | 178 | 71.3 | 12.1 | 0 | 0 | 0 | 113.8 | D126 N128 Y132 | D126-D130 PolarHBondContact OD1-N 3.16Å; D126-D130 PolarHBondContact OD2-N 3.47Å; N128-D130 PolarHBondContact ND2-OD2 3.13Å; N128-D130 WeakPolarHBondContact OD1-CB 3.44Å; N128-D130 PolarHBondContact OD1-N 3.14Å; N128-D130 PolarHBondContact OD1-OD1 3.49Å; N128-D130 PolarHBondContact OD1-OD2 2.93Å; N128-D130 VanDerWaalsContact OD1-OD2 3.14Å; D130-Y132 WeakPolarHBondContact O-CD2 3.46Å; D130-Y132 WeakPolarHBondContact OD1-CA 3.32Å; D130-Y132 VanDerWaalsContact OD1-CB 3.3Å; D130-Y132 WeakPolarHBondContact OD1-CB 2.72Å; D130-Y132 PolarHBondContact OD1-N 3.22Å |
| 131 | G | 96.3 | Very high | 93.8 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 87.4 | 9.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D126 | D126-G131 WeakPolarHBondContact OD2-CA 3.3Å; D126-G131 PolarHBondContact OD2-N 3.37Å |
| 132 | Y | 97.1 | Very high | 93.2 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 35% | 0.349 | 29% | 0.294 | S | S | . | . | trans | -128 | 162.4 | 178.3 | -59.4 | -92.4 | 0 | 0 | 0 | 111.1 | L84 L85 D86 D130 | L84-Y132 HydrophobicContact CB-CD1 3.78Å; L84-Y132 HydrophobicContact CB-CG 4.09Å; L84-Y132 HydrophobicContact CD1-CD1 4.17Å; L84-Y132 HydrophobicContact CD1-CD2 4.48Å; L84-Y132 HydrophobicContact CD1-CG 4.06Å; L85-Y132 CarbonylContact O-C 3.57Å; L85-Y132 WeakPolarHBondContact O-CA 3.49Å; D86-Y132 HydrophobicContact CB-CD1 3.75Å; D86-Y132 HydrophobicContact CB-CE1 3.68Å; D130-Y132 WeakPolarHBondContact O-CD2 3.46Å; D130-Y132 WeakPolarHBondContact OD1-CA 3.32Å; D130-Y132 VanDerWaalsContact OD1-CB 3.3Å; D130-Y132 WeakPolarHBondContact OD1-CB 2.72Å; D130-Y132 PolarHBondContact OD1-N 3.22Å | ||
| 133 | I | 96.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.6 | 169.5 | -56.4 | -62 | 0 | 0 | 0 | 108.7 | L85 L90 L122 D125 D126 E137 F138 | L85-I133 HydrophobicContact CB-CB 4.35Å; L85-I133 PolarHBondContact N-O 2.85Å; L85-I133 PolarHBondContact O-N 3.4Å; L90-I133 HydrophobicContact CD1-CG1 4.33Å; L122-I133 HydrophobicContact CD2-CD1 4.1Å; L122-I133 HydrophobicContact CD2-CG1 4.04Å; D125-I133 HydrophobicContact CB-CD1 3.72Å; D126-I133 HydrophobicContact CB-CD1 3.72Å; I133-E137 HydrophobicContact CG2-CB 3.94Å; I133-F138 HydrophobicContact CG2-CB 3.86Å |
| 134 | D | 96.3 | Very high | 92 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 167.5 | 171.3 | 79.9 | 37.4 | 0 | 0 | 0 | 112.2 | L84 A136 E137 F138 | L84-D134 HydrophobicContact CD2-CB 3.79Å; D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.25Å; D134-A136 VanDerWaalsContact OD1-CA 3.3Å; D134-A136 WeakPolarHBondContact OD1-CA 3.35Å; D134-A136 VanDerWaalsContact OD1-CB 3.28Å; D134-A136 WeakPolarHBondContact OD1-CB 3.41Å; D134-A136 PolarHBondContact OD1-N 3.06Å; D134-E137 PolarHBondContact N-OE2 3.01Å; D134-E137 PolarHBondContact O-N 3.2Å; D134-E137 PolarHBondContact OD1-N 2.76Å; D134-F138 WeakPolarHBondContact O-CB 3.48Å; D134-F138 PolarHBondContact O-N 3.27Å |
| 135 | Y | 94 | Very high | 92 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 30% | 0.298 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.2 | -30.7 | -178.3 | -176.9 | -103.7 | 0 | 0 | 0 | 113.6 | L71 F74 F138 A139 | L71-Y135 HydrophobicContact CB-CE2 4.04Å; L71-Y135 HydrophobicContact CD1-CD2 3.92Å; L71-Y135 HydrophobicContact CD1-CE2 3.65Å; L71-Y135 HydrophobicContact CD1-CG 4.46Å; L71-Y135 HydrophobicContact CG-CE2 4.48Å; F74-Y135 HydrophobicContact CB-CD2 4.1Å; F74-Y135 HydrophobicContact CB-CE2 4.38Å; F74-Y135 HydrophobicContact CD1-CD2 4.14Å; F74-Y135 HydrophobicContact CD2-CD2 4.05Å; F74-Y135 AromaticContact CG-CD2 3.82Å; F74-Y135 HydrophobicContact CG-CD2 3.82Å; Y135-F138 HydrophobicContact CD2-CD1 4.37Å; Y135-F138 HydrophobicContact CE2-CD1 4.35Å; Y135-A139 HydrophobicContact CE1-CB 4.43Å; Y135-A139 WeakPolarHBondContact O-CB 3.28Å; Y135-A139 PolarHBondContact O-N 2.77Å |
| 136 | A | 94.5 | Very high | 92 | Very high | 69 Ų | 69 | 64.4 Ų | 64.4 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -73.7 | -37.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D134 K140 | D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.25Å; D134-A136 VanDerWaalsContact OD1-CA 3.3Å; D134-A136 WeakPolarHBondContact OD1-CA 3.35Å; D134-A136 VanDerWaalsContact OD1-CB 3.28Å; D134-A136 WeakPolarHBondContact OD1-CB 3.41Å; D134-A136 PolarHBondContact OD1-N 3.06Å; A136-K140 VanDerWaalsContact O-CB 3.27Å; A136-K140 WeakPolarHBondContact O-CB 3.39Å; A136-K140 PolarHBondContact O-N 3.45Å; A136-K140 VanDerWaalsContact O-N 3.16Å |
| 137 | E | 94.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 67.3 Ų | 67.3 | 7% | 0.07 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 172 | -69.6 | 171.9 | 147.3 | 0 | 0 | 111 | K127 N128 I133 D134 K140 S141 | K127-E137 WeakPolarHBondContact CB-OE1 3.27Å; K127-E137 HydrophobicContact CG-CG 4.28Å; K127-E137 PolarHBondContact N-OE1 3.12Å; N128-E137 PolarHBondContact N-OE1 2.8Å; I133-E137 HydrophobicContact CG2-CB 3.94Å; D134-E137 PolarHBondContact N-OE2 3.01Å; D134-E137 PolarHBondContact O-N 3.2Å; D134-E137 PolarHBondContact OD1-N 2.76Å; E137-K140 PolarHBondContact O-N 2.77Å; E137-S141 PolarHBondContact O-N 2.8Å |
| 138 | F | 91.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.6 | -49.4 | 174.5 | 177.6 | -93 | 0 | 0 | 0 | 112.8 | L38 V43 Q70 Y73 F74 L85 I133 D134 Y135 K140 S141 L142 | L38-F138 HydrophobicContact CD2-CD2 3.5Å; L38-F138 HydrophobicContact CD2-CE2 3.16Å; L38-F138 HydrophobicContact CD2-CZ 4.13Å; V43-F138 HydrophobicContact CG1-CZ 4.31Å; V43-F138 HydrophobicContact CG2-CE2 4.4Å; V43-F138 HydrophobicContact CG2-CZ 3.95Å; Q70-F138 HydrophobicContact CB-CE1 4.29Å; Y73-F138 HydrophobicContact CD1-CE2 4.01Å; Y73-F138 AromaticContact CD1-CZ 3.7Å; Y73-F138 HydrophobicContact CD1-CZ 3.7Å; Y73-F138 HydrophobicContact CE1-CE2 4.27Å; Y73-F138 HydrophobicContact CE1-CZ 4.35Å; F74-F138 HydrophobicContact CB-CD1 4.42Å; F74-F138 HydrophobicContact CB-CE1 4.27Å; F74-F138 HydrophobicContact CD2-CB 3.99Å; F74-F138 HydrophobicContact CD2-CD1 4.09Å; F74-F138 HydrophobicContact CD2-CD2 4.15Å; F74-F138 AromaticContact CD2-CG 3.84Å; F74-F138 HydrophobicContact CD2-CG 3.84Å; F74-F138 HydrophobicContact CE2-CB 4.2Å; L85-F138 HydrophobicContact CD1-CD2 4.24Å; L85-F138 HydrophobicContact CD1-CE2 4.5Å; I133-F138 HydrophobicContact CG2-CB 3.86Å; D134-F138 WeakPolarHBondContact O-CB 3.48Å; D134-F138 PolarHBondContact O-N 3.27Å; Y135-F138 HydrophobicContact CD2-CD1 4.37Å; Y135-F138 HydrophobicContact CE2-CD1 4.35Å; F138-K140 PolarHBondContact O-N 3.2Å; F138-S141 PolarHBondContact O-N 2.76Å; F138-S141 PolarHBondContact O-OG 3.5Å; F138-L142 HydrophobicContact CD1-CD1 4.08Å; F138-L142 HydrophobicContact CE1-CD1 3.5Å; F138-L142 HydrophobicContact CZ-CD1 3.82Å; F138-L142 PolarHBondContact O-N 2.69Å |
| 139 | A | 89.2 | Confident | 91.2 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 21% | 0.207 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -33 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y135 L142 | Y135-A139 HydrophobicContact CE1-CB 4.43Å; Y135-A139 WeakPolarHBondContact O-CB 3.28Å; Y135-A139 PolarHBondContact O-N 2.77Å; A139-L142 PolarHBondContact O-N 3.07Å |
| 140 | K | 89.4 | Confident | 90.8 | Very high | 134 Ų | 134 | 56.3 Ų | 56.3 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -75.1 | -30.2 | 178.6 | -170.1 | 177.4 | -176 | -179.8 | 0 | 112.9 | A136 E137 F138 L142 E143 | A136-K140 VanDerWaalsContact O-CB 3.27Å; A136-K140 WeakPolarHBondContact O-CB 3.39Å; A136-K140 PolarHBondContact O-N 3.45Å; A136-K140 VanDerWaalsContact O-N 3.16Å; E137-K140 PolarHBondContact O-N 2.77Å; F138-K140 PolarHBondContact O-N 3.2Å; K140-L142 PolarHBondContact O-N 2.92Å; K140-E143 PolarHBondContact O-N 2.98Å |
| 141 | S | 84.3 | Confident | 90.3 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.7 | -25.3 | 175.5 | 72.6 | 0 | 0 | 0 | 0 | 112.3 | D125 E137 F138 | D125-S141 WeakPolarHBondContact OD1-CB 3.46Å; D125-S141 WeakPolarHBondContact OD2-CB 3.35Å; D125-S141 PolarHBondContact OD2-OG 3.02Å; E137-S141 PolarHBondContact O-N 2.8Å; F138-S141 PolarHBondContact O-N 2.76Å; F138-S141 PolarHBondContact O-OG 3.5Å |
| 142 | L | 79.2 | Confident | 89.8 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.9 | 176.5 | -60.7 | 177 | 0 | 0 | 0 | 115.1 | L38 K40 V43 Q70 F138 A139 K140 | L38-L142 WeakPolarHBondContact O-CD2 2.97Å; K40-L142 WeakPolarHBondContact CE-O 3.08Å; V43-L142 HydrophobicContact CB-CD1 4.25Å; V43-L142 HydrophobicContact CB-CD2 4.05Å; V43-L142 HydrophobicContact CG1-CD1 3.94Å; V43-L142 HydrophobicContact CG2-CD1 4.14Å; V43-L142 HydrophobicContact CG2-CD2 3.74Å; Q70-L142 HydrophobicContact CB-CD1 4.39Å; Q70-L142 HydrophobicContact CG-CD1 3.69Å; F138-L142 HydrophobicContact CD1-CD1 4.08Å; F138-L142 HydrophobicContact CE1-CD1 3.5Å; F138-L142 HydrophobicContact CZ-CD1 3.82Å; F138-L142 PolarHBondContact O-N 2.69Å; A139-L142 PolarHBondContact O-N 3.07Å; K140-L142 PolarHBondContact O-N 2.92Å |
| 143 | E | 71.5 | Confident | 89.1 | Confident | 200 Ų | 200 | 53.6 Ų | 53.6 | 94% | 0.935 | 28% | 0.278 | S | S | * | . | trans | -83.8 | 0 | 175.3 | -73.6 | -169.9 | 162.5 | 0 | 0 | 112.6 | K40 K140 | K40-E143 PolarHBondContact NZ-O 3.33Å; K140-E143 PolarHBondContact O-N 2.98Å |
Retrieved 143 of 143 residues in 99 ms
(Link to these results)