| 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 | 60.1 | Low | 75.7 | Confident | 199 Ų | 199 | 123.2 Ų | 123.2 | 98% | 0.98 | 61% | 0.613 | S | S | * | * | 0 | -34.2 | 0 | -141.4 | -174.8 | -80.6 | 0 | 0 | 113.5 | Q5 | M1-Q5 WeakPolarHBondContact O-CG 3.3Š| |||
| 2 | H | 78.4 | Confident | 74.9 | Confident | 144 Ų | 144 | 120.2 Ų | 120.2 | 67% | 0.667 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.8 | -40 | -177.1 | -169.6 | -97.1 | 0 | 0 | 0 | 115.4 | Q4 Q5 V6 | H2-Q4 PolarHBondContact O-N 3.49Å; H2-Q5 PolarHBondContact O-N 3.41Å; H2-V6 WeakPolarHBondContact O-CG2 3.44Å; H2-V6 PolarHBondContact O-N 3.4Å |
| 3 | L | 81.7 | Confident | 74.3 | Confident | 128 Ų | 128 | 118.8 Ų | 118.8 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.9 | -42.4 | -176.5 | -178 | 65 | 0 | 0 | 0 | 112.8 | Q5 V6 I7 | L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3.47Å; L3-V6 PolarHBondContact O-N 2.91Å; L3-I7 HydrophobicContact CD1-CD1 4.28Å; L3-I7 HydrophobicContact CG-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CG1 3.43Å; L3-I7 PolarHBondContact O-N 2.94Å |
| 4 | Q | 83.2 | Confident | 73.3 | Confident | 157 Ų | 157 | 118.1 Ų | 118.1 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.4 | -34.2 | -178.9 | -160.2 | 163.7 | -6.4 | 0 | 0 | 111.5 | H2 I7 S8 | H2-Q4 PolarHBondContact O-N 3.49Å; Q4-I7 PolarHBondContact O-N 2.84Å; Q4-S8 WeakPolarHBondContact O-CB 3.26Å; Q4-S8 PolarHBondContact O-N 3.2Å; Q4-S8 PolarHBondContact O-OG 3.44Å; Q4-S8 VanDerWaalsContact O-OG 3.07Å |
| 5 | Q | 80.7 | Confident | 72.9 | Confident | 112 Ų | 112 | 121.2 Ų | 121.2 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66 | -39.6 | 172.1 | -70.7 | 173 | -33.4 | 0 | 0 | 112.3 | M1 H2 L3 S8 A9 | M1-Q5 WeakPolarHBondContact O-CG 3.3Å; H2-Q5 PolarHBondContact O-N 3.41Å; L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3.47Å; Q5-S8 WeakPolarHBondContact CA-OG 3.43Å; Q5-S8 PolarHBondContact O-OG 2.98Å; Q5-A9 VanDerWaalsContact O-CB 3.29Å; Q5-A9 WeakPolarHBondContact O-CB 3.38Å; Q5-A9 PolarHBondContact O-N 3.48Å |
| 6 | V | 75.7 | Confident | 72.4 | Confident | 73 Ų | 73 | 120.8 Ų | 120.8 | 44% | 0.442 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.7 | -41.6 | 175 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | H2 L3 R10 | H2-V6 WeakPolarHBondContact O-CG2 3.44Å; H2-V6 PolarHBondContact O-N 3.4Å; L3-V6 PolarHBondContact O-N 2.91Å; V6-R10 WeakPolarHBondContact O-CB 3.42Å; V6-R10 PolarHBondContact O-N 3.17Å |
| 7 | I | 76.2 | Confident | 71.7 | Confident | 79 Ų | 79 | 118.1 Ų | 118.1 | 41% | 0.405 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.6 | -44.6 | 177.9 | -67.3 | 167.3 | 0 | 0 | 0 | 110.7 | L3 Q4 A9 R10 Q11 | L3-I7 HydrophobicContact CD1-CD1 4.28Å; L3-I7 HydrophobicContact CG-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CG1 3.43Å; L3-I7 PolarHBondContact O-N 2.94Å; Q4-I7 PolarHBondContact O-N 2.84Å; I7-A9 PolarHBondContact O-N 3.31Å; I7-R10 PolarHBondContact O-N 3.27Å; I7-Q11 HydrophobicContact CG2-CG 4.4Å; I7-Q11 WeakPolarHBondContact O-CB 3.45Å; I7-Q11 VanDerWaalsContact O-CG 3.3Å; I7-Q11 WeakPolarHBondContact O-CG 3.39Å; I7-Q11 PolarHBondContact O-N 2.82Å |
| 8 | S | 78.9 | Confident | 71.3 | Confident | 63 Ų | 63 | 117.6 Ų | 117.6 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.5 | -39.8 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | Q4 Q5 R10 Q11 S12 | Q4-S8 WeakPolarHBondContact O-CB 3.26Å; Q4-S8 PolarHBondContact O-N 3.2Å; Q4-S8 PolarHBondContact O-OG 3.44Å; Q4-S8 VanDerWaalsContact O-OG 3.07Å; Q5-S8 WeakPolarHBondContact CA-OG 3.43Å; Q5-S8 PolarHBondContact O-OG 2.98Å; S8-R10 VanDerWaalsContact C-N 3.3Å; S8-R10 PolarHBondContact O-N 3.21Å; S8-Q11 PolarHBondContact O-N 2.84Å; S8-S12 PolarHBondContact O-N 3.29Å; S8-S12 PolarHBondContact O-OG 2.91Å |
| 9 | A | 73.3 | Confident | 70.7 | Confident | 53 Ų | 53 | 117.1 Ų | 117.1 | 44% | 0.438 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.1 | -35.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q5 I7 S12 I13 | Q5-A9 VanDerWaalsContact O-CB 3.29Å; Q5-A9 WeakPolarHBondContact O-CB 3.38Å; Q5-A9 PolarHBondContact O-N 3.48Å; I7-A9 PolarHBondContact O-N 3.31Å; A9-S12 WeakPolarHBondContact CA-OG 3.43Å; A9-S12 PolarHBondContact O-OG 3.26Å; A9-I13 WeakPolarHBondContact O-CG1 3.45Å |
| 10 | R | 71.7 | Confident | 70.5 | Confident | 202 Ų | 202 | 118.4 Ų | 118.4 | 76% | 0.762 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72 | -33 | 175.6 | -168.5 | 165.6 | 179.9 | 159 | -1.2 | 112.4 | V6 I7 S8 | V6-R10 WeakPolarHBondContact O-CB 3.42Å; V6-R10 PolarHBondContact O-N 3.17Å; I7-R10 PolarHBondContact O-N 3.27Å; S8-R10 VanDerWaalsContact C-N 3.3Å; S8-R10 PolarHBondContact O-N 3.21Å |
| 11 | Q | 72.6 | Confident | 70.4 | Confident | 145 Ų | 145 | 117.4 Ų | 117.4 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -79.6 | -26 | 177.8 | -72.5 | 174.4 | -16 | 0 | 0 | 113.2 | I7 S8 I13 | I7-Q11 HydrophobicContact CG2-CG 4.4Å; I7-Q11 WeakPolarHBondContact O-CB 3.45Å; I7-Q11 VanDerWaalsContact O-CG 3.3Å; I7-Q11 WeakPolarHBondContact O-CG 3.39Å; I7-Q11 PolarHBondContact O-N 2.82Å; S8-Q11 PolarHBondContact O-N 2.84Å; Q11-I13 PolarHBondContact O-N 2.9Å |
| 12 | S | 66.5 | Low | 71.1 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -70.6 | -14.2 | 171.7 | 55 | 0 | 0 | 0 | 0 | 113.6 | S8 A9 S14 | S8-S12 PolarHBondContact O-N 3.29Å; S8-S12 PolarHBondContact O-OG 2.91Å; A9-S12 WeakPolarHBondContact CA-OG 3.43Å; A9-S12 PolarHBondContact O-OG 3.26Å; S12-S14 VanDerWaalsContact C-N 3.27Å; S12-S14 PolarHBondContact O-N 3.37Å |
| 13 | I | 67.2 | Low | 71.3 | Confident | 103 Ų | 103 | 110.8 Ų | 110.8 | 53% | 0.528 | 61% | 0.609 | S | S | . | * | trans | -81.7 | 77.9 | 171.6 | -59.7 | 166.6 | 0 | 0 | 0 | 107.5 | A9 Q11 K15 V17 | A9-I13 WeakPolarHBondContact O-CG1 3.45Å; Q11-I13 PolarHBondContact O-N 2.9Å; I13-K15 VanDerWaalsContact C-N 3.35Å; I13-V17 HydrophobicContact CG2-CG2 3.59Å | ||
| 14 | S | 59.4 | Low | 71.3 | Confident | 109 Ų | 109 | 111.8 Ų | 111.8 | 76% | 0.762 | 61% | 0.613 | S | S | * | * | trans | -86 | -0.7 | -175 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | S12 | S12-S14 VanDerWaalsContact C-N 3.27Å; S12-S14 PolarHBondContact O-N 3.37Å | ||
| 15 | K | 68.4 | Low | 71.4 | Confident | 164 Ų | 164 | 109.8 Ų | 109.8 | 71% | 0.713 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -109.9 | 138.7 | 176.4 | -67.8 | -179.8 | 178.8 | 179.6 | 0 | 109.6 | I13 V17 | I13-K15 VanDerWaalsContact C-N 3.35Å; K15-V17 PolarHBondContact O-N 3.02Å |
| 16 | P | 64.4 | Low | 71.9 | Confident | 114 Ų | 114 | 111.8 Ų | 111.8 | 74% | 0.74 | 63% | 0.627 | S | S | * | * | trans | -59.3 | 106.6 | 166.8 | 25.7 | -30.9 | 0 | 0 | 0 | 106.9 | Q18 | P16-Q18 PolarHBondContact O-N 3.15Š| ||
| 17 | V | 60.8 | Low | 72.6 | Confident | 75 Ų | 75 | 113.2 Ų | 113.2 | 46% | 0.455 | 64% | 0.637 | S | S | . | * | trans | -58.8 | 106.3 | 176.1 | 176 | 0 | 0 | 0 | 0 | 106.3 | I13 K15 D21 V22 | I13-V17 HydrophobicContact CG2-CG2 3.59Å; K15-V17 PolarHBondContact O-N 3.02Å; V17-D21 HydrophobicContact CG1-CB 3.97Å; V17-V22 HydrophobicContact CG1-CG2 3.34Å | ||
| 18 | Q | 63.9 | Low | 73.3 | Confident | 110 Ų | 110 | 120.9 Ų | 120.9 | 51% | 0.514 | 66% | 0.661 | S | S | . | * | trans | -70.6 | 153.3 | 175.7 | -59.8 | -150.4 | 29.5 | 0 | 0 | 108.1 | P16 F20 D21 | P16-Q18 PolarHBondContact O-N 3.15Å; Q18-F20 HydrophobicContact CB-CD1 3.63Å; Q18-F20 HydrophobicContact CB-CD2 4.26Å; Q18-F20 HydrophobicContact CB-CE1 3.3Å; Q18-F20 HydrophobicContact CB-CE2 3.93Å; Q18-F20 HydrophobicContact CB-CG 4.12Å; Q18-F20 HydrophobicContact CB-CZ 3.45Å; Q18-F20 VanDerWaalsContact CB-CZ 3.45Å; Q18-F20 VanDerWaalsContact CD-CE1 3.42Å; Q18-F20 VanDerWaalsContact CD-CZ 3.45Å; Q18-F20 HydrophobicContact CG-CE1 3.85Å; Q18-F20 HydrophobicContact CG-CE2 4.49Å; Q18-F20 HydrophobicContact CG-CZ 3.74Å; Q18-F20 PolarHBondContact O-N 3.37Å; Q18-D21 PolarHBondContact N-OD2 3.36Å; Q18-D21 WeakPolarHBondContact O-CB 3.36Å; Q18-D21 PolarHBondContact O-N 2.8Å | ||
| 19 | A | 60.6 | Low | 73.7 | Confident | 107 Ų | 107 | 123.7 Ų | 123.7 | 88% | 0.884 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -19.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 20 | F | 66.9 | Low | 74.3 | Confident | 144 Ų | 144 | 129.7 Ų | 129.7 | 63% | 0.632 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -16.2 | 174.1 | 61 | -107.8 | 0 | 0 | 0 | 115 | Q18 V22 | Q18-F20 HydrophobicContact CB-CD1 3.63Å; Q18-F20 HydrophobicContact CB-CD2 4.26Å; Q18-F20 HydrophobicContact CB-CE1 3.3Å; Q18-F20 HydrophobicContact CB-CE2 3.93Å; Q18-F20 HydrophobicContact CB-CG 4.12Å; Q18-F20 HydrophobicContact CB-CZ 3.45Å; Q18-F20 VanDerWaalsContact CB-CZ 3.45Å; Q18-F20 VanDerWaalsContact CD-CE1 3.42Å; Q18-F20 VanDerWaalsContact CD-CZ 3.45Å; Q18-F20 HydrophobicContact CG-CE1 3.85Å; Q18-F20 HydrophobicContact CG-CE2 4.49Å; Q18-F20 HydrophobicContact CG-CZ 3.74Å; Q18-F20 PolarHBondContact O-N 3.37Å; F20-V22 VanDerWaalsContact C-N 3.28Å; F20-V22 PolarHBondContact O-N 2.92Å |
| 21 | D | 68.4 | Low | 74.7 | Confident | 97 Ų | 97 | 125.6 Ų | 125.6 | 52% | 0.519 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -79.3 | -10.3 | -178 | -76.7 | -33.3 | 0 | 0 | 0 | 112.9 | V17 Q18 | V17-D21 HydrophobicContact CG1-CB 3.97Å; Q18-D21 PolarHBondContact N-OD2 3.36Å; Q18-D21 WeakPolarHBondContact O-CB 3.36Å; Q18-D21 PolarHBondContact O-N 2.8Å |
| 22 | V | 74.2 | Confident | 75.2 | Confident | 97 Ų | 97 | 125.3 Ų | 125.3 | 59% | 0.588 | 69% | 0.691 | S | S | * | * | trans | -118.4 | 103.7 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | V17 F20 | V17-V22 HydrophobicContact CG1-CG2 3.34Å; F20-V22 VanDerWaalsContact C-N 3.28Å; F20-V22 PolarHBondContact O-N 2.92Å | ||
| 23 | S | 82.3 | Confident | 75.9 | Confident | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 130.3 | 167.7 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | P25 | S23-P25 WeakPolarHBondContact O-CD 3.26Š|
| 24 | I | 81.9 | Confident | 76.8 | Confident | 149 Ų | 149 | 131.8 Ų | 131.8 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 116.8 | 169.3 | -60.5 | 173.2 | 0 | 0 | 0 | 106.2 | I26 | I24-I26 PolarHBondContact O-N 3.22Š|
| 25 | P | 86.3 | Confident | 78.2 | Confident | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 130.4 | -179.2 | 26.9 | -33.2 | 0 | 0 | 0 | 110 | S23 | S23-P25 WeakPolarHBondContact O-CD 3.26Š|
| 26 | I | 90 | Very high | 79.2 | Confident | 154 Ų | 154 | 133.4 Ų | 133.4 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 122.9 | 172.2 | -61.1 | 168.6 | 0 | 0 | 0 | 107.2 | I24 | I24-I26 PolarHBondContact O-N 3.22Š|
| 27 | P | 91.2 | Very high | 80.3 | Confident | 102 Ų | 102 | 134.2 Ų | 134.2 | 66% | 0.662 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 145.6 | 177.8 | 27.6 | -33.6 | 0 | 0 | 0 | 110.3 | V29 | P27-V29 PolarHBondContact O-N 2.91Š|
| 28 | R | 90.2 | Very high | 81.7 | Confident | 241 Ų | 241 | 134.9 Ų | 134.9 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131.9 | 169.4 | -64.2 | -178.5 | -177.8 | 179.7 | 0.5 | 108.3 | ||
| 29 | V | 88 | Confident | 83 | Confident | 122 Ų | 122 | 134.7 Ų | 134.7 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | trans | -102.3 | 108.3 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | P27 T31 | P27-V29 PolarHBondContact O-N 2.91Å; V29-T31 HydrophobicContact CG1-CG2 4.05Å | ||
| 30 | E | 84.8 | Confident | 84.3 | Confident | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 69% | 0.686 | S | S | * | * | trans | -85.5 | 131.5 | 169.6 | -66.9 | 175.8 | -175.6 | 0 | 0 | 108.4 | ||||
| 31 | T | 80.7 | Confident | 85.3 | Confident | 116 Ų | 116 | 139.3 Ų | 139.3 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | trans | -118.7 | 105.5 | -179.1 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | V29 R33 | V29-T31 HydrophobicContact CG1-CG2 4.05Å; T31-R33 VanDerWaalsContact C-N 3.29Å; T31-R33 PolarHBondContact O-N 3.45Å; T31-R33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | E | 83.5 | Confident | 86.2 | Confident | 139 Ų | 139 | 141.4 Ų | 141.4 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | trans | -84.5 | 71.4 | 170.7 | -67.1 | -172.1 | 176.9 | 0 | 0 | 110.4 | N34 R35 Y36 | E32-N34 VanDerWaalsContact C-N 3.25Å; E32-N34 PolarHBondContact O-N 3.41Å; E32-R35 HydrophobicContact CB-CB 4.14Å; E32-R35 PolarHBondContact O-N 3.07Å; E32-R35 VanDerWaalsContact O-N 3.17Å; E32-R35 VanDerWaalsContact OE2-CD 3.3Å; E32-R35 WeakPolarHBondContact OE2-CD 3.48Å; E32-Y36 PolarHBondContact O-N 3.42Å; E32-Y36 VanDerWaalsContact O-N 3.09Å | ||
| 33 | R | 81.5 | Confident | 86.9 | Confident | 183 Ų | 183 | 141.3 Ų | 141.3 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -56.1 | -39 | -176.1 | -176.8 | 176.1 | -87.9 | 164.2 | -7.7 | 112.7 | T31 R35 Y36 E37 | T31-R33 VanDerWaalsContact C-N 3.29Å; T31-R33 PolarHBondContact O-N 3.45Å; T31-R33 VanDerWaalsContact O-N 3.11Å; R33-R35 PolarHBondContact O-N 2.99Å; R33-Y36 WeakPolarHBondContact O-CB 3.43Å; R33-Y36 PolarHBondContact O-N 2.86Å; R33-E37 PolarHBondContact O-N 3.14Å; R33-E37 VanDerWaalsContact O-N 3.09Å |
| 34 | N | 86.3 | Confident | 87.3 | Confident | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -62 | -40.9 | -179.7 | -62.8 | -12.6 | 0 | 0 | 0 | 112.4 | E32 | E32-N34 VanDerWaalsContact C-N 3.25Å; E32-N34 PolarHBondContact O-N 3.41Å |
| 35 | R | 87.8 | Confident | 87.8 | Confident | 163 Ų | 163 | 142.5 Ų | 142.5 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -71.9 | -37.1 | 177.8 | -172.8 | -179.4 | 172.2 | 109.1 | 3.1 | 110.9 | E32 R33 A38 L39 | E32-R35 HydrophobicContact CB-CB 4.14Å; E32-R35 PolarHBondContact O-N 3.07Å; E32-R35 VanDerWaalsContact O-N 3.17Å; E32-R35 VanDerWaalsContact OE2-CD 3.3Å; E32-R35 WeakPolarHBondContact OE2-CD 3.48Å; R33-R35 PolarHBondContact O-N 2.99Å; R35-A38 PolarHBondContact O-N 3.18Å; R35-L39 HydrophobicContact CG-CD1 3.82Å; R35-L39 HydrophobicContact CG-CG 4.38Å; R35-L39 WeakPolarHBondContact O-CG 3.29Å; R35-L39 PolarHBondContact O-N 3.12Å; R35-L39 VanDerWaalsContact O-N 3.16Å |
| 36 | Y | 89.2 | Confident | 87.9 | Confident | 144 Ų | 144 | 144.7 Ų | 144.7 | 57% | 0.565 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -60.3 | -48.2 | 178.3 | 179.2 | -92.1 | 0 | 0 | 0 | 112.4 | E32 R33 A38 L39 Y40 | E32-Y36 PolarHBondContact O-N 3.42Å; E32-Y36 VanDerWaalsContact O-N 3.09Å; R33-Y36 WeakPolarHBondContact O-CB 3.43Å; R33-Y36 PolarHBondContact O-N 2.86Å; Y36-A38 PolarHBondContact O-N 3.25Å; Y36-L39 PolarHBondContact O-N 2.63Å; Y36-Y40 AromaticContact CD2-CD2 3.63Å; Y36-Y40 HydrophobicContact CD2-CD2 3.63Å; Y36-Y40 HydrophobicContact CD2-CE2 4Å; Y36-Y40 AromaticContact CE2-CD2 3.69Å; Y36-Y40 HydrophobicContact CE2-CD2 3.69Å; Y36-Y40 HydrophobicContact CE2-CE2 4.15Å; Y36-Y40 HydrophobicContact CE2-CG 4.2Å; Y36-Y40 HydrophobicContact CG-CD2 4.29Å; Y36-Y40 PolarHBondContact O-N 2.79Å |
| 37 | E | 88.7 | Confident | 88 | Confident | 131 Ų | 131 | 140.3 Ų | 140.3 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -65 | -27.9 | -179.7 | -70.1 | 176.6 | -171.7 | 0 | 0 | 113 | R33 | R33-E37 PolarHBondContact O-N 3.14Å; R33-E37 VanDerWaalsContact O-N 3.09Å |
| 38 | A | 89.5 | Confident | 88.1 | Confident | 88 Ų | 88 | 146.2 Ų | 146.2 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -77.6 | -32.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R35 Y36 | R35-A38 PolarHBondContact O-N 3.18Å; Y36-A38 PolarHBondContact O-N 3.25Å |
| 39 | L | 90 | Very high | 88.2 | Confident | 107 Ų | 107 | 145.1 Ų | 145.1 | 56% | 0.56 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -88.1 | -38.7 | -175 | -70.3 | 174.3 | 0 | 0 | 0 | 113.6 | R35 Y36 | R35-L39 HydrophobicContact CG-CD1 3.82Å; R35-L39 HydrophobicContact CG-CG 4.38Å; R35-L39 WeakPolarHBondContact O-CG 3.29Å; R35-L39 PolarHBondContact O-N 3.12Å; R35-L39 VanDerWaalsContact O-N 3.16Å; Y36-L39 PolarHBondContact O-N 2.63Å |
| 40 | Y | 88.8 | Confident | 88.3 | Confident | 145 Ų | 145 | 149.2 Ų | 149.2 | 57% | 0.569 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -108 | 122.8 | -171.6 | -64.9 | -84.3 | 0 | 0 | 0 | 111.5 | Y36 | Y36-Y40 AromaticContact CD2-CD2 3.63Å; Y36-Y40 HydrophobicContact CD2-CD2 3.63Å; Y36-Y40 HydrophobicContact CD2-CE2 4Å; Y36-Y40 AromaticContact CE2-CD2 3.69Å; Y36-Y40 HydrophobicContact CE2-CD2 3.69Å; Y36-Y40 HydrophobicContact CE2-CE2 4.15Å; Y36-Y40 HydrophobicContact CE2-CG 4.2Å; Y36-Y40 HydrophobicContact CG-CD2 4.29Å; Y36-Y40 PolarHBondContact O-N 2.79Å |
| 41 | R | 87.9 | Confident | 88.4 | Confident | 203 Ų | 203 | 145.8 Ų | 145.8 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | trans | -71.3 | 147.2 | 176.2 | -61.3 | 172.2 | 63.3 | 142.4 | 2.9 | 111.3 | D43 | R41-D43 WeakPolarHBondContact CB-OD1 3.11Å; R41-D43 IonicContact CZ-OD2 2.7Å; R41-D43 IonicContact NE-OD1 3.33Å; R41-D43 PolarHBondContact NE-OD1 3.19Å; R41-D43 IonicContact NE-OD2 2.83Å; R41-D43 PolarHBondContact NE-OD2 3.1Å; R41-D43 IonicContact NH2-OD2 2.97Å; R41-D43 PolarHBondContact NH2-OD2 3.07Å | ||
| 42 | T | 87.5 | Confident | 88.4 | Confident | 140 Ų | 140 | 144.6 Ų | 144.6 | 86% | 0.859 | 70% | 0.695 | S | S | * | * | trans | -108.2 | 15.6 | -177.7 | 53.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 43 | D | 89.7 | Confident | 88 | Confident | 95 Ų | 95 | 142 Ų | 142 | 51% | 0.508 | 70% | 0.697 | S | S | . | * | trans | -92.7 | 11.6 | -173.1 | 63 | -28.7 | 0 | 0 | 0 | 114.6 | R41 V45 | R41-D43 WeakPolarHBondContact CB-OD1 3.11Å; R41-D43 IonicContact CZ-OD2 2.7Å; R41-D43 IonicContact NE-OD1 3.33Å; R41-D43 PolarHBondContact NE-OD1 3.19Å; R41-D43 IonicContact NE-OD2 2.83Å; R41-D43 PolarHBondContact NE-OD2 3.1Å; R41-D43 IonicContact NH2-OD2 2.97Å; R41-D43 PolarHBondContact NH2-OD2 3.07Å; D43-V45 PolarHBondContact O-N 3.2Å | ||
| 44 | F | 89.6 | Confident | 87.5 | Confident | 157 Ų | 157 | 142.3 Ų | 142.3 | 69% | 0.689 | 71% | 0.707 | S | S | * | * | trans | -68.8 | 122.8 | 176.9 | 178.2 | -101 | 0 | 0 | 0 | 111.6 | Q46 | F44-Q46 HydrophobicContact CE1-CB 4.2Š| ||
| 45 | V | 91.6 | Very high | 86.7 | Confident | 124 Ų | 124 | 139.8 Ų | 139.8 | 75% | 0.752 | 70% | 0.7 | S | S | * | * | trans | -103.5 | 115.9 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | D43 P47 | D43-V45 PolarHBondContact O-N 3.2Å; V45-P47 WeakPolarHBondContact O-CD 3.47Å | ||
| 46 | Q | 90.2 | Very high | 85.6 | Confident | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | trans | -61.9 | 123.4 | -179.3 | -172.3 | 177.3 | 13.9 | 0 | 0 | 111 | F44 | F44-Q46 HydrophobicContact CE1-CB 4.2Š| ||
| 47 | P | 91.8 | Very high | 84.1 | Confident | 62 Ų | 62 | 136.6 Ų | 136.6 | 40% | 0.403 | 71% | 0.714 | S | S | . | * | trans | -69.9 | 149.2 | 175.9 | 26.5 | -31.5 | 0 | 0 | 0 | 111 | V45 R49 V51 | V45-P47 WeakPolarHBondContact O-CD 3.47Å; P47-R49 WeakPolarHBondContact CG-O 3.41Å; P47-R49 PolarHBondContact O-N 3.41Å; P47-V51 HydrophobicContact CG-CG2 3.84Å | ||
| 48 | K | 93 | Very high | 82.9 | Confident | 225 Ų | 225 | 134.4 Ų | 134.4 | 98% | 0.978 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -65.3 | -17.8 | 175.9 | -65.1 | -175.6 | 178.7 | -177.4 | 0 | 113.6 | ||
| 49 | R | 92 | Very high | 81.7 | Confident | 219 Ų | 219 | 138.4 Ų | 138.4 | 83% | 0.826 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -111.6 | 154 | 177.3 | -64.6 | -177 | 179 | 180 | -0.8 | 108.9 | P47 | P47-R49 WeakPolarHBondContact CG-O 3.41Å; P47-R49 PolarHBondContact O-N 3.41Å |
| 50 | F | 90 | Very high | 80.9 | Confident | 208 Ų | 208 | 139.2 Ų | 139.2 | 91% | 0.912 | 72% | 0.722 | S | S | * | * | trans | -58.5 | 142.8 | 173.6 | -61.3 | -66.2 | 0 | 0 | 0 | 111.4 | A52 | F50-A52 PolarHBondContact O-N 2.8Š| ||
| 51 | V | 86.2 | Confident | 80.3 | Confident | 106 Ų | 106 | 138.9 Ų | 138.9 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | -71.7 | 117.8 | 178.8 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | P47 A53 | P47-V51 HydrophobicContact CG-CG2 3.84Å; V51-A53 HydrophobicContact CG1-CB 4.22Å; V51-A53 PolarHBondContact O-N 3.4Å | ||
| 52 | A | 81.2 | Confident | 79.9 | Confident | 91 Ų | 91 | 137 Ų | 137 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -95.2 | 82.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | F50 | F50-A52 PolarHBondContact O-N 2.8Š| ||
| 53 | A | 76.3 | Confident | 79.9 | Confident | 84 Ų | 84 | 134.4 Ų | 134.4 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | trans | -82.5 | 120.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V51 | V51-A53 HydrophobicContact CG1-CB 4.22Å; V51-A53 PolarHBondContact O-N 3.4Å | ||
| 54 | Q | 69.5 | Low | 79.8 | Confident | 191 Ų | 191 | 136.4 Ų | 136.4 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | trans | -126.7 | -2.5 | 174.4 | -68.6 | -171.3 | -1.8 | 0 | 0 | 113.5 | ||||
| 55 | S | 69.4 | Low | 79.8 | Confident | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | trans | -89.3 | 112.2 | -177.7 | 55.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 56 | S | 65 | Low | 79.7 | Confident | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | -70.8 | -24 | 159.9 | 54.2 | 0 | 0 | 0 | 0 | 112 | T58 | S56-T58 PolarHBondContact O-N 3.18Å; S56-T58 VanDerWaalsContact O-N 3.11Å | ||
| 57 | N | 58.3 | Low | 79.8 | Confident | 133 Ų | 133 | 127.4 Ų | 127.4 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | -84.3 | 88.9 | -178.9 | -61.3 | -0.8 | 0 | 0 | 0 | 108 | ||||
| 58 | T | 62.3 | Low | 79.8 | Confident | 86 Ų | 86 | 129.5 Ų | 129.5 | 53% | 0.528 | 70% | 0.695 | S | S | . | * | trans | -79.7 | 140.2 | 156.9 | 44.6 | 0 | 0 | 0 | 0 | 106 | S56 I60 | S56-T58 PolarHBondContact O-N 3.18Å; S56-T58 VanDerWaalsContact O-N 3.11Å; T58-I60 HydrophobicContact CG2-CD1 4.28Å; T58-I60 PolarHBondContact O-N 2.99Å; T58-I60 WeakPolarHBondContact OG1-CD1 3.5Å; T58-I60 VanDerWaalsContact OG1-CG1 3.29Å; T58-I60 WeakPolarHBondContact OG1-CG1 3.28Å | ||
| 59 | D | 65.1 | Low | 79.7 | Confident | 172 Ų | 172 | 119.1 Ų | 119.1 | 92% | 0.92 | 65% | 0.65 | S | S | * | * | trans | -67.9 | 35.2 | 172.7 | -65.9 | -43.3 | 0 | 0 | 0 | 111.4 | L61 | D59-L61 PolarHBondContact O-N 3.43Š| ||
| 60 | I | 72.7 | Confident | 79.7 | Confident | 124 Ų | 124 | 112.5 Ų | 112.5 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | trans | -71.2 | 122.9 | 175.6 | -68 | 173.9 | 0 | 0 | 0 | 106 | T58 D62 | T58-I60 HydrophobicContact CG2-CD1 4.28Å; T58-I60 PolarHBondContact O-N 2.99Å; T58-I60 WeakPolarHBondContact OG1-CD1 3.5Å; T58-I60 VanDerWaalsContact OG1-CG1 3.29Å; T58-I60 WeakPolarHBondContact OG1-CG1 3.28Å; I60-D62 PolarHBondContact O-N 3.42Å | ||
| 61 | L | 76.5 | Confident | 79.8 | Confident | 138 Ų | 138 | 105.5 Ų | 105.5 | 72% | 0.723 | 61% | 0.609 | S | S | * | * | trans | -62.9 | 133.5 | 170.1 | -62.7 | 170.8 | 0 | 0 | 0 | 108.2 | D59 Y63 | D59-L61 PolarHBondContact O-N 3.43Å; L61-Y63 PolarHBondContact O-N 2.85Å; L61-Y63 VanDerWaalsContact O-N 3.14Å | ||
| 62 | D | 80.8 | Confident | 80.1 | Confident | 163 Ų | 163 | 102.7 Ų | 102.7 | 87% | 0.872 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -64.3 | -17.8 | 180 | -69.3 | -27.3 | 0 | 0 | 0 | 113.1 | I60 I125 | I60-D62 PolarHBondContact O-N 3.42Å; D62-I125 VanDerWaalsContact O-CD1 3.29Å; D62-I125 WeakPolarHBondContact O-CD1 3.38Å |
| 63 | Y | 86.4 | Confident | 80.5 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 33% | 0.333 | 56% | 0.559 | S | S | . | * | trans | -112.8 | 126.6 | -178.9 | -164.2 | -82.3 | 0 | 0 | 0 | 111.3 | L61 D69 L124 I125 | L61-Y63 PolarHBondContact O-N 2.85Å; L61-Y63 VanDerWaalsContact O-N 3.14Å; Y63-D69 VanDerWaalsContact CE1-OD2 3.26Å; Y63-D69 WeakPolarHBondContact CE1-OD2 3.49Å; Y63-D69 PolarHBondContact OH-OD2 3.1Å; Y63-L124 HydrophobicContact CE2-CB 4.49Å; Y63-L124 HydrophobicContact CE2-CD1 4.07Å; Y63-I125 HydrophobicContact CD2-CD1 4.26Å | ||
| 64 | D | 87.1 | Confident | 81 | Confident | 137 Ų | 137 | 100.4 Ų | 100.4 | 73% | 0.733 | 55% | 0.546 | S | S | * | . | trans | -108.8 | 128 | 173.5 | -168 | 16.2 | 0 | 0 | 0 | 109.2 | D66 | D64-D66 PolarHBondContact O-N 3.38Š| ||
| 65 | M | 89.5 | Confident | 81.9 | Confident | 83 Ų | 83 | 95.3 Ų | 95.3 | 41% | 0.409 | 53% | 0.528 | S | S | . | . | trans | -73.1 | 123.5 | -179.2 | -74.2 | 176.8 | 57.1 | 0 | 0 | 109.4 | D69 E70 F73 | M65-D69 HydrophobicContact CB-CB 3.88Å; M65-D69 HydrophobicContact CE-CB 4.12Å; M65-D69 HydrophobicContact CG-CB 4.06Å; M65-E70 HydrophobicContact CE-CB 4.41Å; M65-E70 WeakPolarHBondContact CE-OE2 3.42Å; M65-F73 HydrophobicContact CE-CB 3.64Å; M65-F73 HydrophobicContact CE-CD1 4.22Å; M65-F73 HydrophobicContact CE-CG 3.92Å | ||
| 66 | D | 90.8 | Very high | 82.7 | Confident | 69 Ų | 69 | 91.2 Ų | 91.2 | 37% | 0.369 | 50% | 0.499 | S | S | . | . | trans | -82.4 | -174.9 | 171.2 | 66.5 | 13.7 | 0 | 0 | 0 | 112 | D64 D68 D69 E70 K108 | D64-D66 PolarHBondContact O-N 3.38Å; D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.43Å; D66-D68 PolarHBondContact OD1-N 3.34Å; D66-D68 VanDerWaalsContact OD1-N 3.17Å; D66-D69 PolarHBondContact N-OD2 3.35Å; D66-D69 PolarHBondContact O-N 3.14Å; D66-D69 WeakPolarHBondContact OD1-CB 3.3Å; D66-D69 PolarHBondContact OD1-N 2.65Å; D66-E70 PolarHBondContact O-N 2.95Å; D66-K108 IonicContact OD1-NZ 2.7Å; D66-K108 PolarHBondContact OD1-NZ 3.35Å; D66-K108 IonicContact OD2-NZ 2.63Å; D66-K108 PolarHBondContact OD2-NZ 2.75Å | ||
| 67 | S | 92 | Very high | 83.6 | Confident | 104 Ų | 104 | 87.7 Ų | 87.7 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.8 | -32.1 | -178.4 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | A71 | S67-A71 WeakPolarHBondContact O-CB 3.49Å; S67-A71 PolarHBondContact O-N 2.93Å; S67-A71 VanDerWaalsContact O-N 3.11Å |
| 68 | D | 91.1 | Very high | 84.8 | Confident | 106 Ų | 106 | 89.1 Ų | 89.1 | 57% | 0.567 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -73.1 | -40.5 | 178.6 | -67.3 | -16.4 | 0 | 0 | 0 | 110.4 | D66 A71 W72 | D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.43Å; D66-D68 PolarHBondContact OD1-N 3.34Å; D66-D68 VanDerWaalsContact OD1-N 3.17Å; D68-A71 PolarHBondContact O-N 3.3Å; D68-W72 WeakPolarHBondContact O-CB 3.29Å; D68-W72 PolarHBondContact O-N 3.33Å |
| 69 | D | 92.3 | Very high | 85.8 | Confident | 7 Ų | 7 | 91.2 Ų | 91.2 | 4% | 0.037 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 174.6 | -67.3 | -23.8 | 0 | 0 | 0 | 111.7 | Y63 M65 D66 W72 F73 Y104 K108 | Y63-D69 VanDerWaalsContact CE1-OD2 3.26Å; Y63-D69 WeakPolarHBondContact CE1-OD2 3.49Å; Y63-D69 PolarHBondContact OH-OD2 3.1Å; M65-D69 HydrophobicContact CB-CB 3.88Å; M65-D69 HydrophobicContact CE-CB 4.12Å; M65-D69 HydrophobicContact CG-CB 4.06Å; D66-D69 PolarHBondContact N-OD2 3.35Å; D66-D69 PolarHBondContact O-N 3.14Å; D66-D69 WeakPolarHBondContact OD1-CB 3.3Å; D66-D69 PolarHBondContact OD1-N 2.65Å; D69-W72 PolarHBondContact O-N 3.36Å; D69-F73 WeakPolarHBondContact O-CB 3.42Å; D69-F73 PolarHBondContact O-N 2.95Å; D69-Y104 WeakPolarHBondContact CA-OH 3.46Å; D69-Y104 PolarHBondContact N-OH 2.88Å; D69-Y104 WeakPolarHBondContact OD1-CE1 3.25Å; D69-Y104 VanDerWaalsContact OD1-CZ 3.3Å; D69-Y104 PolarHBondContact OD1-OH 3.5Å; D69-K108 IonicContact OD1-NZ 3.8Å; D69-K108 PolarHBondContact OD1-NZ 3.47Å; D69-K108 IonicContact OD2-NZ 2.79Å; D69-K108 PolarHBondContact OD2-NZ 3.3Å |
| 70 | E | 91.5 | Very high | 86.5 | Confident | 79 Ų | 79 | 85.9 Ų | 85.9 | 37% | 0.369 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 176.8 | -176.9 | 57.7 | -149.3 | 0 | 0 | 111.2 | M65 D66 W72 F73 Q74 | M65-E70 HydrophobicContact CE-CB 4.41Å; M65-E70 WeakPolarHBondContact CE-OE2 3.42Å; D66-E70 PolarHBondContact O-N 2.95Å; E70-W72 PolarHBondContact O-N 3.01Å; E70-F73 PolarHBondContact O-N 3.47Å; E70-Q74 VanDerWaalsContact O-CG 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.4Å; E70-Q74 PolarHBondContact O-N 2.89Å; E70-Q74 PolarHBondContact OE1-NE2 3.48Å |
| 71 | A | 91.9 | Very high | 86.8 | Confident | 61 Ų | 61 | 88.4 Ų | 88.4 | 50% | 0.504 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S67 D68 | S67-A71 WeakPolarHBondContact O-CB 3.49Å; S67-A71 PolarHBondContact O-N 2.93Å; S67-A71 VanDerWaalsContact O-N 3.11Å; D68-A71 PolarHBondContact O-N 3.3Å |
| 72 | W | 92.1 | Very high | 86.5 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 175.7 | 177 | 83.1 | 0 | 0 | 0 | 111.4 | D68 D69 E70 Q74 T75 F76 E100 L101 Y104 | D68-W72 WeakPolarHBondContact O-CB 3.29Å; D68-W72 PolarHBondContact O-N 3.33Å; D69-W72 PolarHBondContact O-N 3.36Å; E70-W72 PolarHBondContact O-N 3.01Å; W72-Q74 VanDerWaalsContact C-N 3.27Å; W72-Q74 PolarHBondContact O-N 3.38Å; W72-T75 WeakPolarHBondContact O-CA 3.34Å; W72-T75 WeakPolarHBondContact O-CB 3.39Å; W72-T75 PolarHBondContact O-N 2.88Å; W72-T75 PolarHBondContact O-OG1 3.43Å; W72-F76 HydrophobicContact CD2-CB 4.38Å; W72-F76 HydrophobicContact CE3-CB 4.26Å; W72-F76 HydrophobicContact CH2-CB 3.88Å; W72-F76 AromaticContact CH2-CD1 3.77Å; W72-F76 HydrophobicContact CH2-CD1 3.77Å; W72-F76 AromaticContact CH2-CD2 3.44Å; W72-F76 HydrophobicContact CH2-CD2 3.44Å; W72-F76 VanDerWaalsContact CH2-CD2 3.44Å; W72-F76 HydrophobicContact CH2-CE1 4.04Å; W72-F76 AromaticContact CH2-CE2 3.77Å; W72-F76 HydrophobicContact CH2-CE2 3.77Å; W72-F76 AromaticContact CH2-CG 3.43Å; W72-F76 HydrophobicContact CH2-CG 3.43Å; W72-F76 VanDerWaalsContact CH2-CG 3.43Å; W72-F76 HydrophobicContact CH2-CZ 4.06Å; W72-F76 HydrophobicContact CZ2-CB 4.03Å; W72-F76 AromaticContact CZ2-CD2 3.53Å; W72-F76 HydrophobicContact CZ2-CD2 3.53Å; W72-F76 HydrophobicContact CZ2-CE2 4.07Å; W72-F76 AromaticContact CZ2-CG 3.84Å; W72-F76 HydrophobicContact CZ2-CG 3.84Å; W72-F76 HydrophobicContact CZ3-CB 4.01Å; W72-F76 AromaticContact CZ3-CD1 3.96Å; W72-F76 HydrophobicContact CZ3-CD1 3.96Å; W72-F76 HydrophobicContact CZ3-CD2 4.33Å; W72-F76 HydrophobicContact CZ3-CE1 4.44Å; W72-F76 AromaticContact CZ3-CG 3.87Å; W72-F76 HydrophobicContact CZ3-CG 3.87Å; W72-F76 PolarHBondContact O-N 3.11Å; W72-E100 HydrophobicContact CZ2-CG 4.37Å; W72-L101 HydrophobicContact CH2-CB 4.29Å; W72-L101 HydrophobicContact CH2-CD1 3.62Å; W72-L101 HydrophobicContact CZ3-CD1 3.6Å; W72-Y104 HydrophobicContact CB-CD2 4.2Å; W72-Y104 HydrophobicContact CB-CE1 4.42Å; W72-Y104 HydrophobicContact CB-CE2 3.62Å; W72-Y104 AromaticContact CD1-CD2 3.3Å; W72-Y104 AromaticContact CD1-CE2 3.58Å; W72-Y104 AromaticContact CD1-CG 3.93Å; W72-Y104 AromaticContact CD2-CD1 3.67Å; W72-Y104 HydrophobicContact CD2-CD1 3.67Å; W72-Y104 AromaticContact CD2-CD2 3.62Å; W72-Y104 HydrophobicContact CD2-CD2 3.62Å; W72-Y104 AromaticContact CD2-CE1 3.95Å; W72-Y104 HydrophobicContact CD2-CE1 3.95Å; W72-Y104 AromaticContact CD2-CE2 3.9Å; W72-Y104 HydrophobicContact CD2-CE2 3.9Å; W72-Y104 AromaticContact CD2-CG 3.48Å; W72-Y104 HydrophobicContact CD2-CG 3.48Å; W72-Y104 VanDerWaalsContact CD2-CG 3.48Å; W72-Y104 VanDerWaalsContact CE2-CB 3.46Å; W72-Y104 AromaticContact CE2-CD1 3.96Å; W72-Y104 AromaticContact CE2-CD2 3.63Å; W72-Y104 AromaticContact CE2-CG 3.38Å; W72-Y104 AromaticContact CE3-CD1 3.67Å; W72-Y104 HydrophobicContact CE3-CD1 3.67Å; W72-Y104 HydrophobicContact CE3-CD2 4.45Å; W72-Y104 AromaticContact CE3-CE1 3.88Å; W72-Y104 HydrophobicContact CE3-CE1 3.88Å; W72-Y104 AromaticContact CE3-CG 3.98Å; W72-Y104 HydrophobicContact CE3-CG 3.98Å; W72-Y104 HydrophobicContact CG-CD1 4.22Å; W72-Y104 AromaticContact CG-CD2 3.43Å; W72-Y104 HydrophobicContact CG-CD2 3.43Å; W72-Y104 VanDerWaalsContact CG-CD2 3.43Å; W72-Y104 HydrophobicContact CG-CE1 4.19Å; W72-Y104 AromaticContact CG-CE2 3.38Å; W72-Y104 HydrophobicContact CG-CE2 3.38Å; W72-Y104 AromaticContact CG-CG 3.86Å; W72-Y104 HydrophobicContact CG-CG 3.86Å; W72-Y104 AromaticContact CG-CZ 3.79Å; W72-Y104 HydrophobicContact CH2-CD1 4.28Å; W72-Y104 HydrophobicContact CH2-CG 4.29Å; W72-Y104 VanDerWaalsContact CZ2-CB 3.44Å; W72-Y104 HydrophobicContact CZ2-CD1 4.26Å; W72-Y104 HydrophobicContact CZ2-CD2 4.47Å; W72-Y104 AromaticContact CZ2-CG 3.81Å; W72-Y104 HydrophobicContact CZ2-CG 3.81Å; W72-Y104 AromaticContact CZ3-CD1 3.99Å; W72-Y104 HydrophobicContact CZ3-CD1 3.99Å; W72-Y104 HydrophobicContact CZ3-CG 4.35Å; W72-Y104 AromaticContact NE1-CD2 3.4Å; W72-Y104 AromaticContact NE1-CG 3.64Å |
| 73 | F | 88.8 | Confident | 85.9 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 16% | 0.158 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60 | -36.7 | -178.8 | -174.1 | -108.8 | 0 | 0 | 0 | 112 | M65 D69 E70 T75 F76 V77 | M65-F73 HydrophobicContact CE-CB 3.64Å; M65-F73 HydrophobicContact CE-CD1 4.22Å; M65-F73 HydrophobicContact CE-CG 3.92Å; D69-F73 WeakPolarHBondContact O-CB 3.42Å; D69-F73 PolarHBondContact O-N 2.95Å; E70-F73 PolarHBondContact O-N 3.47Å; F73-T75 VanDerWaalsContact C-N 3.28Å; F73-T75 PolarHBondContact O-N 2.85Å; F73-F76 HydrophobicContact CD2-CD1 4.17Å; F73-F76 HydrophobicContact CE2-CD1 4.32Å; F73-F76 PolarHBondContact O-N 2.9Å; F73-V77 HydrophobicContact CD1-CG2 3.74Å; F73-V77 HydrophobicContact CD2-CG2 4.15Å; F73-V77 HydrophobicContact CE1-CG2 3.33Å; F73-V77 HydrophobicContact CE2-CG2 3.77Å; F73-V77 HydrophobicContact CG-CG2 4.13Å; F73-V77 HydrophobicContact CZ-CG2 3.34Å; F73-V77 WeakPolarHBondContact O-CB 3.22Å; F73-V77 VanDerWaalsContact O-CG2 3.32Å; F73-V77 WeakPolarHBondContact O-CG2 3.18Å; F73-V77 PolarHBondContact O-N 3.34Å |
| 74 | Q | 87.8 | Confident | 84.8 | Confident | 90 Ų | 90 | 84.7 Ų | 84.7 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 174.2 | -68.9 | -64.3 | -22.7 | 0 | 0 | 113.1 | E70 W72 K78 | E70-Q74 VanDerWaalsContact O-CG 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.4Å; E70-Q74 PolarHBondContact O-N 2.89Å; E70-Q74 PolarHBondContact OE1-NE2 3.48Å; W72-Q74 VanDerWaalsContact C-N 3.27Å; W72-Q74 PolarHBondContact O-N 3.38Å; Q74-K78 WeakPolarHBondContact O-CD 3.39Å; Q74-K78 VanDerWaalsContact O-CG 3.26Å; Q74-K78 WeakPolarHBondContact O-CG 3.37Å; Q74-K78 PolarHBondContact O-N 3.16Å |
| 75 | T | 89 | Confident | 83.8 | Confident | 85 Ų | 85 | 83.2 Ų | 83.2 | 52% | 0.521 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -74.6 | -38.1 | 173.9 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | W72 F73 K78 K79 | W72-T75 WeakPolarHBondContact O-CA 3.34Å; W72-T75 WeakPolarHBondContact O-CB 3.39Å; W72-T75 PolarHBondContact O-N 2.88Å; W72-T75 PolarHBondContact O-OG1 3.43Å; F73-T75 VanDerWaalsContact C-N 3.28Å; F73-T75 PolarHBondContact O-N 2.85Å; T75-K78 PolarHBondContact O-N 2.83Å; T75-K79 PolarHBondContact O-N 3.13Å |
| 76 | F | 86.5 | Confident | 82.7 | Confident | 3 Ų | 3 | 84.5 Ų | 84.5 | 1% | 0.013 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.2 | -43.6 | -179.4 | -177.4 | -109.7 | 0 | 0 | 0 | 112.5 | W72 F73 K78 K79 F80 F97 E100 L101 | W72-F76 HydrophobicContact CD2-CB 4.38Å; W72-F76 HydrophobicContact CE3-CB 4.26Å; W72-F76 HydrophobicContact CH2-CB 3.88Å; W72-F76 AromaticContact CH2-CD1 3.77Å; W72-F76 HydrophobicContact CH2-CD1 3.77Å; W72-F76 AromaticContact CH2-CD2 3.44Å; W72-F76 HydrophobicContact CH2-CD2 3.44Å; W72-F76 VanDerWaalsContact CH2-CD2 3.44Å; W72-F76 HydrophobicContact CH2-CE1 4.04Å; W72-F76 AromaticContact CH2-CE2 3.77Å; W72-F76 HydrophobicContact CH2-CE2 3.77Å; W72-F76 AromaticContact CH2-CG 3.43Å; W72-F76 HydrophobicContact CH2-CG 3.43Å; W72-F76 VanDerWaalsContact CH2-CG 3.43Å; W72-F76 HydrophobicContact CH2-CZ 4.06Å; W72-F76 HydrophobicContact CZ2-CB 4.03Å; W72-F76 AromaticContact CZ2-CD2 3.53Å; W72-F76 HydrophobicContact CZ2-CD2 3.53Å; W72-F76 HydrophobicContact CZ2-CE2 4.07Å; W72-F76 AromaticContact CZ2-CG 3.84Å; W72-F76 HydrophobicContact CZ2-CG 3.84Å; W72-F76 HydrophobicContact CZ3-CB 4.01Å; W72-F76 AromaticContact CZ3-CD1 3.96Å; W72-F76 HydrophobicContact CZ3-CD1 3.96Å; W72-F76 HydrophobicContact CZ3-CD2 4.33Å; W72-F76 HydrophobicContact CZ3-CE1 4.44Å; W72-F76 AromaticContact CZ3-CG 3.87Å; W72-F76 HydrophobicContact CZ3-CG 3.87Å; W72-F76 PolarHBondContact O-N 3.11Å; F73-F76 HydrophobicContact CD2-CD1 4.17Å; F73-F76 HydrophobicContact CE2-CD1 4.32Å; F73-F76 PolarHBondContact O-N 2.9Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.3Å; F76-K79 WeakPolarHBondContact O-CB 3.29Å; F76-K79 PolarHBondContact O-N 3.39Å; F76-K79 VanDerWaalsContact O-N 3.07Å; F76-F80 AromaticContact CD2-CD2 3.81Å; F76-F80 HydrophobicContact CD2-CD2 3.81Å; F76-F80 AromaticContact CD2-CE2 3.73Å; F76-F80 HydrophobicContact CD2-CE2 3.73Å; F76-F80 AromaticContact CE2-CD2 3.58Å; F76-F80 HydrophobicContact CE2-CD2 3.58Å; F76-F80 AromaticContact CE2-CE2 3.3Å; F76-F80 HydrophobicContact CE2-CE2 3.3Å; F76-F80 HydrophobicContact CE2-CZ 4.32Å; F76-F80 HydrophobicContact CG-CD2 4.37Å; F76-F80 AromaticContact CZ-CD2 3.99Å; F76-F80 HydrophobicContact CZ-CD2 3.99Å; F76-F80 HydrophobicContact CZ-CE2 4.01Å; F76-F80 PolarHBondContact O-N 3.36Å; F76-F80 VanDerWaalsContact O-N 3.1Å; F76-F97 HydrophobicContact CD1-CE2 4.14Å; F76-F97 AromaticContact CE1-CD2 3.69Å; F76-F97 HydrophobicContact CE1-CD2 3.69Å; F76-F97 HydrophobicContact CE1-CE1 4.38Å; F76-F97 AromaticContact CE1-CE2 3.04Å; F76-F97 HydrophobicContact CE1-CE2 3.04Å; F76-F97 AromaticContact CE1-CZ 3.46Å; F76-F97 HydrophobicContact CE1-CZ 3.46Å; F76-F97 VanDerWaalsContact CE1-CZ 3.46Å; F76-F97 HydrophobicContact CE2-CD2 4.32Å; F76-F97 HydrophobicContact CE2-CE2 4.46Å; F76-F97 HydrophobicContact CZ-CD1 4.42Å; F76-F97 AromaticContact CZ-CD2 3.35Å; F76-F97 HydrophobicContact CZ-CD2 3.35Å; F76-F97 HydrophobicContact CZ-CE1 4.33Å; F76-F97 AromaticContact CZ-CE2 3.24Å; F76-F97 HydrophobicContact CZ-CE2 3.24Å; F76-F97 AromaticContact CZ-CG 3.97Å; F76-F97 HydrophobicContact CZ-CG 3.97Å; F76-F97 AromaticContact CZ-CZ 3.78Å; F76-F97 HydrophobicContact CZ-CZ 3.78Å; F76-F97 WeakPolarHBondContact CZ-O 3.31Å; F76-E100 HydrophobicContact CD2-CG 4.03Å; F76-E100 HydrophobicContact CE2-CB 3.96Å; F76-E100 HydrophobicContact CE2-CG 3.82Å; F76-L101 HydrophobicContact CZ-CB 4.15Å |
| 77 | V | 82.5 | Confident | 81.5 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 19% | 0.194 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.9 | -39.7 | 174.4 | 167.5 | 0 | 0 | 0 | 0 | 111.4 | F73 K79 E81 V82 | F73-V77 HydrophobicContact CD1-CG2 3.74Å; F73-V77 HydrophobicContact CD2-CG2 4.15Å; F73-V77 HydrophobicContact CE1-CG2 3.33Å; F73-V77 HydrophobicContact CE2-CG2 3.77Å; F73-V77 HydrophobicContact CG-CG2 4.13Å; F73-V77 HydrophobicContact CZ-CG2 3.34Å; F73-V77 WeakPolarHBondContact O-CB 3.22Å; F73-V77 VanDerWaalsContact O-CG2 3.32Å; F73-V77 WeakPolarHBondContact O-CG2 3.18Å; F73-V77 PolarHBondContact O-N 3.34Å; V77-K79 VanDerWaalsContact C-N 3.26Å; V77-K79 PolarHBondContact O-N 3.36Å; V77-E81 VanDerWaalsContact O-CA 3.28Å; V77-E81 WeakPolarHBondContact O-CA 3.5Å; V77-E81 PolarHBondContact O-N 3.46Å; V77-V82 WeakPolarHBondContact CG1-O 3.46Å; V77-V82 PolarHBondContact O-N 2.89Å |
| 78 | K | 84.1 | Confident | 80.2 | Confident | 164 Ų | 164 | 87.9 Ų | 87.9 | 71% | 0.713 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.8 | -33.2 | 175.3 | -75.2 | 171.9 | -178.6 | 174.7 | 0 | 112.3 | Q74 T75 F76 | Q74-K78 WeakPolarHBondContact O-CD 3.39Å; Q74-K78 VanDerWaalsContact O-CG 3.26Å; Q74-K78 WeakPolarHBondContact O-CG 3.37Å; Q74-K78 PolarHBondContact O-N 3.16Å; T75-K78 PolarHBondContact O-N 2.83Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.3Å |
| 79 | K | 84.3 | Confident | 79.1 | Confident | 130 Ų | 130 | 86 Ų | 86 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -74.3 | -39.7 | -179.5 | -169.9 | -178.1 | -175.4 | -172.1 | 0 | 112.9 | T75 F76 V77 E100 | T75-K79 PolarHBondContact O-N 3.13Å; F76-K79 WeakPolarHBondContact O-CB 3.29Å; F76-K79 PolarHBondContact O-N 3.39Å; F76-K79 VanDerWaalsContact O-N 3.07Å; V77-K79 VanDerWaalsContact C-N 3.26Å; V77-K79 PolarHBondContact O-N 3.36Å; K79-E100 WeakPolarHBondContact CD-OE1 3.32Å; K79-E100 WeakPolarHBondContact CE-OE2 3.49Å; K79-E100 IonicContact NZ-OE1 3.28Å; K79-E100 PolarHBondContact NZ-OE1 3.37Å; K79-E100 IonicContact NZ-OE2 3.2Å; K79-E100 PolarHBondContact NZ-OE2 2.9Å |
| 80 | F | 79.5 | Confident | 77.9 | Confident | 60 Ų | 60 | 87.5 Ų | 87.5 | 26% | 0.263 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -106.6 | 3.2 | -175.1 | -70.3 | -81.9 | 0 | 0 | 0 | 114.5 | F76 V82 D96 F97 E100 | F76-F80 AromaticContact CD2-CD2 3.81Å; F76-F80 HydrophobicContact CD2-CD2 3.81Å; F76-F80 AromaticContact CD2-CE2 3.73Å; F76-F80 HydrophobicContact CD2-CE2 3.73Å; F76-F80 AromaticContact CE2-CD2 3.58Å; F76-F80 HydrophobicContact CE2-CD2 3.58Å; F76-F80 AromaticContact CE2-CE2 3.3Å; F76-F80 HydrophobicContact CE2-CE2 3.3Å; F76-F80 HydrophobicContact CE2-CZ 4.32Å; F76-F80 HydrophobicContact CG-CD2 4.37Å; F76-F80 AromaticContact CZ-CD2 3.99Å; F76-F80 HydrophobicContact CZ-CD2 3.99Å; F76-F80 HydrophobicContact CZ-CE2 4.01Å; F76-F80 PolarHBondContact O-N 3.36Å; F76-F80 VanDerWaalsContact O-N 3.1Å; F80-V82 HydrophobicContact CB-CG2 3.52Å; F80-V82 PolarHBondContact O-N 2.98Å; F80-D96 HydrophobicContact CE1-CB 4.36Å; F80-F97 HydrophobicContact CB-CD2 4.26Å; F80-F97 HydrophobicContact CD1-CB 4.41Å; F80-F97 HydrophobicContact CD1-CD2 4.27Å; F80-F97 HydrophobicContact CD2-CD2 4.13Å; F80-F97 HydrophobicContact CE1-CB 4.19Å; F80-F97 AromaticContact CG-CD2 3.98Å; F80-F97 HydrophobicContact CG-CD2 3.98Å; F80-F97 HydrophobicContact CZ-CB 4.48Å; F80-E100 WeakPolarHBondContact CE2-OE2 3.48Å; F80-E100 VanDerWaalsContact CZ-OE2 3.29Å; F80-E100 WeakPolarHBondContact CZ-OE2 3.36Å |
| 81 | E | 77.9 | Confident | 76.8 | Confident | 177 Ų | 177 | 89.6 Ų | 89.6 | 83% | 0.827 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.7 | -177.9 | -58.1 | -172.1 | 154.2 | 0 | 0 | 113.9 | V77 | V77-E81 VanDerWaalsContact O-CA 3.28Å; V77-E81 WeakPolarHBondContact O-CA 3.5Å; V77-E81 PolarHBondContact O-N 3.46Å |
| 82 | V | 70.6 | Confident | 76 | Confident | 16 Ų | 16 | 94.1 Ų | 94.1 | 10% | 0.097 | 46% | 0.462 | C | S | . | . | trans | -80.3 | 125.4 | -170.4 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | V77 F80 L90 F97 | V77-V82 WeakPolarHBondContact CG1-O 3.46Å; V77-V82 PolarHBondContact O-N 2.89Å; F80-V82 HydrophobicContact CB-CG2 3.52Å; F80-V82 PolarHBondContact O-N 2.98Å; V82-L90 HydrophobicContact CB-CD1 4.02Å; V82-L90 HydrophobicContact CG1-CD1 3.43Å; V82-L90 VanDerWaalsContact CG1-CD1 3.43Å; V82-L90 HydrophobicContact CG2-CD1 3.35Å; V82-F97 HydrophobicContact CG2-CD2 4.31Å; V82-F97 HydrophobicContact CG2-CE2 3.83Å | ||
| 83 | K | 68.1 | Low | 74.9 | Confident | 137 Ų | 137 | 93.5 Ų | 93.5 | 60% | 0.596 | 47% | 0.471 | S | S | * | . | trans | -82.4 | 133.9 | 163.9 | -67 | 179.2 | -175.2 | 168.5 | 0 | 109.8 | S85 E86 | K83-S85 PolarHBondContact O-N 3.38Å; K83-E86 PolarHBondContact O-N 3.12Å | ||
| 84 | Q | 62.9 | Low | 74 | Confident | 154 Ų | 154 | 95.6 Ų | 95.6 | 72% | 0.72 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -51 | -33.8 | 178.5 | -71.5 | 178.9 | -12.3 | 0 | 0 | 113.2 | E86 | Q84-E86 PolarHBondContact O-N 2.89Š|
| 85 | S | 66.5 | Low | 73.5 | Confident | 106 Ų | 106 | 94.8 Ų | 94.8 | 74% | 0.741 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -67 | -17.5 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | K83 | K83-S85 PolarHBondContact O-N 3.38Š|
| 86 | E | 66.5 | Low | 73.2 | Confident | 111 Ų | 111 | 95.7 Ų | 95.7 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -111.1 | -4.6 | -172.1 | -66.8 | 174.6 | -167.2 | 0 | 0 | 113 | K83 Q84 R88 A89 | K83-E86 PolarHBondContact O-N 3.12Å; Q84-E86 PolarHBondContact O-N 2.89Å; E86-R88 PolarHBondContact O-N 3.06Å; E86-A89 WeakPolarHBondContact O-CB 3.37Å; E86-A89 PolarHBondContact O-N 2.79Å |
| 87 | A | 65.2 | Low | 73 | Confident | 29 Ų | 29 | 96 Ų | 96 | 24% | 0.24 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -54.9 | -33.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A89 L90 | A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 2.91Å; A87-L90 WeakPolarHBondContact O-CB 3.43Å; A87-L90 PolarHBondContact O-N 3.31Å; A87-L90 VanDerWaalsContact O-N 3.16Å |
| 88 | R | 65.4 | Low | 73.1 | Confident | 215 Ų | 215 | 96.8 Ų | 96.8 | 81% | 0.811 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.9 | -33.5 | 176.4 | -70.7 | -173.6 | 179.1 | -175 | -0.9 | 113.1 | E86 L90 | E86-R88 PolarHBondContact O-N 3.06Å; R88-L90 VanDerWaalsContact C-N 3.28Å |
| 89 | A | 67.8 | Low | 73.2 | Confident | 67 Ų | 67 | 92 Ų | 92 | 55% | 0.554 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.1 | -26.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E86 A87 F91 N92 G93 | E86-A89 WeakPolarHBondContact O-CB 3.37Å; E86-A89 PolarHBondContact O-N 2.79Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 2.91Å; A89-F91 VanDerWaalsContact C-N 3.3Å; A89-F91 PolarHBondContact O-N 3.25Å; A89-N92 CarbonylContact O-C 3.56Å; A89-N92 PolarHBondContact O-N 3.03Å; A89-N92 VanDerWaalsContact O-N 3.13Å; A89-G93 PolarHBondContact O-N 3.29Å |
| 90 | L | 66.5 | Low | 73.5 | Confident | 38 Ų | 38 | 88 Ų | 88 | 20% | 0.199 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -71.4 | -21.4 | -177.5 | -62.7 | 175.5 | 0 | 0 | 0 | 113.7 | V82 A87 R88 N92 G93 F97 | V82-L90 HydrophobicContact CB-CD1 4.02Å; V82-L90 HydrophobicContact CG1-CD1 3.43Å; V82-L90 VanDerWaalsContact CG1-CD1 3.43Å; V82-L90 HydrophobicContact CG2-CD1 3.35Å; A87-L90 WeakPolarHBondContact O-CB 3.43Å; A87-L90 PolarHBondContact O-N 3.31Å; A87-L90 VanDerWaalsContact O-N 3.16Å; R88-L90 VanDerWaalsContact C-N 3.28Å; L90-N92 PolarHBondContact O-N 3.24Å; L90-G93 WeakPolarHBondContact O-CA 3.32Å; L90-G93 PolarHBondContact O-N 3.49Å; L90-F97 HydrophobicContact CB-CD1 3.73Å; L90-F97 HydrophobicContact CB-CD2 4.48Å; L90-F97 HydrophobicContact CB-CE1 3.68Å; L90-F97 HydrophobicContact CB-CE2 4.42Å; L90-F97 HydrophobicContact CB-CG 4.15Å; L90-F97 HydrophobicContact CB-CZ 4.04Å; L90-F97 HydrophobicContact CD1-CD2 3.96Å; L90-F97 HydrophobicContact CD1-CE1 4.21Å; L90-F97 HydrophobicContact CD1-CE2 3.54Å; L90-F97 HydrophobicContact CD1-CG 4.44Å; L90-F97 HydrophobicContact CD1-CZ 3.69Å |
| 91 | F | 69.6 | Low | 73.9 | Confident | 123 Ų | 123 | 87.6 Ų | 87.6 | 54% | 0.539 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.6 | 170.9 | -70.8 | -72.3 | 0 | 0 | 0 | 112.8 | A89 G93 V98 L101 | A89-F91 VanDerWaalsContact C-N 3.3Å; A89-F91 PolarHBondContact O-N 3.25Å; F91-G93 VanDerWaalsContact C-N 3.35Å; F91-V98 HydrophobicContact CD1-CG2 4.29Å; F91-L101 HydrophobicContact CE1-CD2 4.17Å; F91-L101 HydrophobicContact CZ-CD2 4.37Å |
| 92 | N | 74.7 | Confident | 74.4 | Confident | 155 Ų | 155 | 85.5 Ų | 85.5 | 83% | 0.829 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 8.7 | 170.4 | -61.1 | -34.7 | 0 | 0 | 0 | 111.8 | A89 L90 | A89-N92 CarbonylContact O-C 3.56Å; A89-N92 PolarHBondContact O-N 3.03Å; A89-N92 VanDerWaalsContact O-N 3.13Å; L90-N92 PolarHBondContact O-N 3.24Å |
| 93 | G | 68.3 | Low | 75.4 | Confident | 35 Ų | 35 | 92 Ų | 92 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -89.2 | -158.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A89 L90 F91 | A89-G93 PolarHBondContact O-N 3.29Å; L90-G93 WeakPolarHBondContact O-CA 3.32Å; L90-G93 PolarHBondContact O-N 3.49Å; F91-G93 VanDerWaalsContact C-N 3.35Å |
| 94 | P | 71.1 | Confident | 76.5 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | trans | -62.3 | 136.9 | 177.8 | 25.5 | -32.4 | 0 | 0 | 0 | 111.3 | D96 F97 | P94-D96 PolarHBondContact O-N 3.46Å; P94-D96 VanDerWaalsContact O-N 3.12Å; P94-F97 PolarHBondContact O-N 2.8Å | ||
| 95 | S | 75.9 | Confident | 77.7 | Confident | 74 Ų | 74 | 84.3 Ų | 84.3 | 52% | 0.517 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -54.9 | -31.8 | -176.6 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | F97 V98 D99 | S95-F97 PolarHBondContact O-N 3.31Å; S95-V98 PolarHBondContact O-N 3.26Å; S95-V98 VanDerWaalsContact O-N 3.11Å; S95-D99 WeakPolarHBondContact O-CB 3.27Å; S95-D99 PolarHBondContact O-N 3.47Å |
| 96 | D | 82.6 | Confident | 78.6 | Confident | 104 Ų | 104 | 82.3 Ų | 82.3 | 56% | 0.556 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.6 | -35.2 | -176.7 | -61.1 | -19.6 | 0 | 0 | 0 | 113.2 | F80 P94 E100 | F80-D96 HydrophobicContact CE1-CB 4.36Å; P94-D96 PolarHBondContact O-N 3.46Å; P94-D96 VanDerWaalsContact O-N 3.12Å; D96-E100 WeakPolarHBondContact O-CB 3.12Å; D96-E100 PolarHBondContact O-N 3.28Å; D96-E100 VanDerWaalsContact O-N 3.14Å |
| 97 | F | 84.1 | Confident | 79.6 | Confident | 10 Ų | 10 | 81.9 Ų | 81.9 | 4% | 0.044 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.5 | -50.5 | 177.3 | 175.2 | -90.6 | 0 | 0 | 0 | 111.2 | F76 F80 V82 L90 P94 S95 L101 | F76-F97 HydrophobicContact CD1-CE2 4.14Å; F76-F97 AromaticContact CE1-CD2 3.69Å; F76-F97 HydrophobicContact CE1-CD2 3.69Å; F76-F97 HydrophobicContact CE1-CE1 4.38Å; F76-F97 AromaticContact CE1-CE2 3.04Å; F76-F97 HydrophobicContact CE1-CE2 3.04Å; F76-F97 AromaticContact CE1-CZ 3.46Å; F76-F97 HydrophobicContact CE1-CZ 3.46Å; F76-F97 VanDerWaalsContact CE1-CZ 3.46Å; F76-F97 HydrophobicContact CE2-CD2 4.32Å; F76-F97 HydrophobicContact CE2-CE2 4.46Å; F76-F97 HydrophobicContact CZ-CD1 4.42Å; F76-F97 AromaticContact CZ-CD2 3.35Å; F76-F97 HydrophobicContact CZ-CD2 3.35Å; F76-F97 HydrophobicContact CZ-CE1 4.33Å; F76-F97 AromaticContact CZ-CE2 3.24Å; F76-F97 HydrophobicContact CZ-CE2 3.24Å; F76-F97 AromaticContact CZ-CG 3.97Å; F76-F97 HydrophobicContact CZ-CG 3.97Å; F76-F97 AromaticContact CZ-CZ 3.78Å; F76-F97 HydrophobicContact CZ-CZ 3.78Å; F76-F97 WeakPolarHBondContact CZ-O 3.31Å; F80-F97 HydrophobicContact CB-CD2 4.26Å; F80-F97 HydrophobicContact CD1-CB 4.41Å; F80-F97 HydrophobicContact CD1-CD2 4.27Å; F80-F97 HydrophobicContact CD2-CD2 4.13Å; F80-F97 HydrophobicContact CE1-CB 4.19Å; F80-F97 AromaticContact CG-CD2 3.98Å; F80-F97 HydrophobicContact CG-CD2 3.98Å; F80-F97 HydrophobicContact CZ-CB 4.48Å; V82-F97 HydrophobicContact CG2-CD2 4.31Å; V82-F97 HydrophobicContact CG2-CE2 3.83Å; L90-F97 HydrophobicContact CB-CD1 3.73Å; L90-F97 HydrophobicContact CB-CD2 4.48Å; L90-F97 HydrophobicContact CB-CE1 3.68Å; L90-F97 HydrophobicContact CB-CE2 4.42Å; L90-F97 HydrophobicContact CB-CG 4.15Å; L90-F97 HydrophobicContact CB-CZ 4.04Å; L90-F97 HydrophobicContact CD1-CD2 3.96Å; L90-F97 HydrophobicContact CD1-CE1 4.21Å; L90-F97 HydrophobicContact CD1-CE2 3.54Å; L90-F97 HydrophobicContact CD1-CG 4.44Å; L90-F97 HydrophobicContact CD1-CZ 3.69Å; P94-F97 PolarHBondContact O-N 2.8Å; S95-F97 PolarHBondContact O-N 3.31Å; F97-L101 WeakPolarHBondContact O-CB 3.32Å; F97-L101 PolarHBondContact O-N 3.42Å; F97-L101 VanDerWaalsContact O-N 3.12Å |
| 98 | V | 84 | Confident | 80.6 | Confident | 48 Ų | 48 | 81.2 Ų | 81.2 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | -178 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | F91 S95 E100 L101 Y102 | F91-V98 HydrophobicContact CD1-CG2 4.29Å; S95-V98 PolarHBondContact O-N 3.26Å; S95-V98 VanDerWaalsContact O-N 3.11Å; V98-E100 PolarHBondContact O-N 2.84Å; V98-L101 PolarHBondContact O-N 3.46Å; V98-Y102 VanDerWaalsContact O-CB 3.22Å; V98-Y102 WeakPolarHBondContact O-CB 3.47Å; V98-Y102 PolarHBondContact O-N 2.91Å |
| 99 | D | 87 | Confident | 81.3 | Confident | 64 Ų | 64 | 74.3 Ų | 74.3 | 34% | 0.342 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63 | -42 | 179.3 | -72.6 | -17.3 | 0 | 0 | 0 | 111.8 | S95 R103 | S95-D99 WeakPolarHBondContact O-CB 3.27Å; S95-D99 PolarHBondContact O-N 3.47Å; D99-R103 WeakPolarHBondContact O-CB 3.44Å; D99-R103 WeakPolarHBondContact O-CG 3.4Å; D99-R103 PolarHBondContact O-N 3.04Å |
| 100 | E | 89.1 | Confident | 81.8 | Confident | 46 Ų | 46 | 75.7 Ų | 75.7 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.3 | -39.9 | 178.5 | -178.8 | 164.8 | -167.2 | 0 | 0 | 112.6 | W72 F76 K79 F80 D96 V98 Y102 R103 Y104 | W72-E100 HydrophobicContact CZ2-CG 4.37Å; F76-E100 HydrophobicContact CD2-CG 4.03Å; F76-E100 HydrophobicContact CE2-CB 3.96Å; F76-E100 HydrophobicContact CE2-CG 3.82Å; K79-E100 WeakPolarHBondContact CD-OE1 3.32Å; K79-E100 WeakPolarHBondContact CE-OE2 3.49Å; K79-E100 IonicContact NZ-OE1 3.28Å; K79-E100 PolarHBondContact NZ-OE1 3.37Å; K79-E100 IonicContact NZ-OE2 3.2Å; K79-E100 PolarHBondContact NZ-OE2 2.9Å; F80-E100 WeakPolarHBondContact CE2-OE2 3.48Å; F80-E100 VanDerWaalsContact CZ-OE2 3.29Å; F80-E100 WeakPolarHBondContact CZ-OE2 3.36Å; D96-E100 WeakPolarHBondContact O-CB 3.12Å; D96-E100 PolarHBondContact O-N 3.28Å; D96-E100 VanDerWaalsContact O-N 3.14Å; V98-E100 PolarHBondContact O-N 2.84Å; E100-Y102 VanDerWaalsContact C-N 3.34Å; E100-R103 PolarHBondContact O-N 3.11Å; E100-Y104 PolarHBondContact O-N 3.38Å |
| 101 | L | 88.9 | Confident | 82.1 | Confident | 51 Ų | 51 | 77.1 Ų | 77.1 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 171.4 | 179.3 | 64.9 | 0 | 0 | 0 | 111.4 | W72 F76 F91 F97 V98 Y104 W105 | W72-L101 HydrophobicContact CH2-CB 4.29Å; W72-L101 HydrophobicContact CH2-CD1 3.62Å; W72-L101 HydrophobicContact CZ3-CD1 3.6Å; F76-L101 HydrophobicContact CZ-CB 4.15Å; F91-L101 HydrophobicContact CE1-CD2 4.17Å; F91-L101 HydrophobicContact CZ-CD2 4.37Å; F97-L101 WeakPolarHBondContact O-CB 3.32Å; F97-L101 PolarHBondContact O-N 3.42Å; F97-L101 VanDerWaalsContact O-N 3.12Å; V98-L101 PolarHBondContact O-N 3.46Å; L101-Y104 PolarHBondContact O-N 3.27Å; L101-W105 PolarHBondContact O-N 3.36Å |
| 102 | Y | 87.8 | Confident | 81.8 | Confident | 132 Ų | 132 | 75.6 Ų | 75.6 | 52% | 0.518 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 178.8 | -177.8 | -106.3 | 0 | 0 | 0 | 111.9 | V98 E100 W105 L106 | V98-Y102 VanDerWaalsContact O-CB 3.22Å; V98-Y102 WeakPolarHBondContact O-CB 3.47Å; V98-Y102 PolarHBondContact O-N 2.91Å; E100-Y102 VanDerWaalsContact C-N 3.34Å; Y102-W105 HydrophobicContact CD2-CE3 4.2Å; Y102-W105 AromaticContact CE2-CE3 3.95Å; Y102-W105 HydrophobicContact CE2-CE3 3.95Å; Y102-W105 AromaticContact CE2-CZ3 3.91Å; Y102-W105 HydrophobicContact CE2-CZ3 3.91Å; Y102-W105 PolarHBondContact O-N 2.97Å; Y102-L106 HydrophobicContact CE1-CD2 4.37Å; Y102-L106 VanDerWaalsContact O-CB 3.25Å; Y102-L106 WeakPolarHBondContact O-CB 3.19Å; Y102-L106 PolarHBondContact O-N 3.17Å |
| 103 | R | 90.6 | Very high | 80.7 | Confident | 152 Ų | 152 | 75.8 Ų | 75.8 | 57% | 0.574 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 174.2 | -79 | 171.9 | -174.9 | 138 | 5 | 111.8 | D99 E100 L106 N107 | D99-R103 WeakPolarHBondContact O-CB 3.44Å; D99-R103 WeakPolarHBondContact O-CG 3.4Å; D99-R103 PolarHBondContact O-N 3.04Å; E100-R103 PolarHBondContact O-N 3.11Å; R103-L106 PolarHBondContact O-N 2.76Å; R103-N107 VanDerWaalsContact O-CB 3.29Å; R103-N107 WeakPolarHBondContact O-CB 3.45Å; R103-N107 PolarHBondContact O-N 2.88Å; R103-N107 PolarHBondContact O-ND2 3.37Å |
| 104 | Y | 91.2 | Very high | 79.9 | Confident | 42 Ų | 42 | 75.1 Ų | 75.1 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.8 | -51.1 | 175.6 | 169.7 | -103.7 | 0 | 0 | 0 | 111.4 | D69 W72 E100 L101 L106 N107 K108 | D69-Y104 WeakPolarHBondContact CA-OH 3.46Å; D69-Y104 PolarHBondContact N-OH 2.88Å; D69-Y104 WeakPolarHBondContact OD1-CE1 3.25Å; D69-Y104 VanDerWaalsContact OD1-CZ 3.3Å; D69-Y104 PolarHBondContact OD1-OH 3.5Å; W72-Y104 HydrophobicContact CB-CD2 4.2Å; W72-Y104 HydrophobicContact CB-CE1 4.42Å; W72-Y104 HydrophobicContact CB-CE2 3.62Å; W72-Y104 AromaticContact CD1-CD2 3.3Å; W72-Y104 AromaticContact CD1-CE2 3.58Å; W72-Y104 AromaticContact CD1-CG 3.93Å; W72-Y104 AromaticContact CD2-CD1 3.67Å; W72-Y104 HydrophobicContact CD2-CD1 3.67Å; W72-Y104 AromaticContact CD2-CD2 3.62Å; W72-Y104 HydrophobicContact CD2-CD2 3.62Å; W72-Y104 AromaticContact CD2-CE1 3.95Å; W72-Y104 HydrophobicContact CD2-CE1 3.95Å; W72-Y104 AromaticContact CD2-CE2 3.9Å; W72-Y104 HydrophobicContact CD2-CE2 3.9Å; W72-Y104 AromaticContact CD2-CG 3.48Å; W72-Y104 HydrophobicContact CD2-CG 3.48Å; W72-Y104 VanDerWaalsContact CD2-CG 3.48Å; W72-Y104 VanDerWaalsContact CE2-CB 3.46Å; W72-Y104 AromaticContact CE2-CD1 3.96Å; W72-Y104 AromaticContact CE2-CD2 3.63Å; W72-Y104 AromaticContact CE2-CG 3.38Å; W72-Y104 AromaticContact CE3-CD1 3.67Å; W72-Y104 HydrophobicContact CE3-CD1 3.67Å; W72-Y104 HydrophobicContact CE3-CD2 4.45Å; W72-Y104 AromaticContact CE3-CE1 3.88Å; W72-Y104 HydrophobicContact CE3-CE1 3.88Å; W72-Y104 AromaticContact CE3-CG 3.98Å; W72-Y104 HydrophobicContact CE3-CG 3.98Å; W72-Y104 HydrophobicContact CG-CD1 4.22Å; W72-Y104 AromaticContact CG-CD2 3.43Å; W72-Y104 HydrophobicContact CG-CD2 3.43Å; W72-Y104 VanDerWaalsContact CG-CD2 3.43Å; W72-Y104 HydrophobicContact CG-CE1 4.19Å; W72-Y104 AromaticContact CG-CE2 3.38Å; W72-Y104 HydrophobicContact CG-CE2 3.38Å; W72-Y104 AromaticContact CG-CG 3.86Å; W72-Y104 HydrophobicContact CG-CG 3.86Å; W72-Y104 AromaticContact CG-CZ 3.79Å; W72-Y104 HydrophobicContact CH2-CD1 4.28Å; W72-Y104 HydrophobicContact CH2-CG 4.29Å; W72-Y104 VanDerWaalsContact CZ2-CB 3.44Å; W72-Y104 HydrophobicContact CZ2-CD1 4.26Å; W72-Y104 HydrophobicContact CZ2-CD2 4.47Å; W72-Y104 AromaticContact CZ2-CG 3.81Å; W72-Y104 HydrophobicContact CZ2-CG 3.81Å; W72-Y104 AromaticContact CZ3-CD1 3.99Å; W72-Y104 HydrophobicContact CZ3-CD1 3.99Å; W72-Y104 HydrophobicContact CZ3-CG 4.35Å; W72-Y104 AromaticContact NE1-CD2 3.4Å; W72-Y104 AromaticContact NE1-CG 3.64Å; E100-Y104 PolarHBondContact O-N 3.38Å; L101-Y104 PolarHBondContact O-N 3.27Å; Y104-L106 VanDerWaalsContact C-N 3.34Å; Y104-L106 PolarHBondContact O-N 3.3Å; Y104-N107 PolarHBondContact O-N 3.12Å; Y104-K108 HydrophobicContact CE1-CD 4.42Å; Y104-K108 PolarHBondContact O-N 3Å |
| 105 | W | 88.2 | Confident | 79.1 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 34% | 0.337 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 179.2 | 178.8 | 85.9 | 0 | 0 | 0 | 112.6 | L101 Y102 K108 R109 | L101-W105 PolarHBondContact O-N 3.36Å; Y102-W105 HydrophobicContact CD2-CE3 4.2Å; Y102-W105 AromaticContact CE2-CE3 3.95Å; Y102-W105 HydrophobicContact CE2-CE3 3.95Å; Y102-W105 AromaticContact CE2-CZ3 3.91Å; Y102-W105 HydrophobicContact CE2-CZ3 3.91Å; Y102-W105 PolarHBondContact O-N 2.97Å; W105-K108 PolarHBondContact O-N 2.88Å; W105-R109 VanDerWaalsContact CH2-CD 3.45Å; W105-R109 VanDerWaalsContact CZ2-CD 3.45Å; W105-R109 HydrophobicContact CZ2-CG 4.49Å; W105-R109 WeakPolarHBondContact O-CG 3.19Å; W105-R109 PolarHBondContact O-N 3.19Å; W105-R109 VanDerWaalsContact O-N 3.12Å |
| 106 | L | 86.2 | Confident | 78.2 | Confident | 63 Ų | 63 | 79 Ų | 79 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 176.7 | -173.9 | 69.1 | 0 | 0 | 0 | 111 | Y102 R103 Y104 K108 R109 V110 | Y102-L106 HydrophobicContact CE1-CD2 4.37Å; Y102-L106 VanDerWaalsContact O-CB 3.25Å; Y102-L106 WeakPolarHBondContact O-CB 3.19Å; Y102-L106 PolarHBondContact O-N 3.17Å; R103-L106 PolarHBondContact O-N 2.76Å; Y104-L106 VanDerWaalsContact C-N 3.34Å; Y104-L106 PolarHBondContact O-N 3.3Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.48Å; L106-R109 PolarHBondContact O-N 2.83Å; L106-V110 WeakPolarHBondContact O-CG2 3.07Å; L106-V110 PolarHBondContact O-N 3.39Å |
| 107 | N | 87.8 | Confident | 77 | Confident | 102 Ų | 102 | 75.1 Ų | 75.1 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 177 | -74.2 | -14.7 | 0 | 0 | 0 | 111.4 | R103 Y104 R109 V110 A111 | R103-N107 VanDerWaalsContact O-CB 3.29Å; R103-N107 WeakPolarHBondContact O-CB 3.45Å; R103-N107 PolarHBondContact O-N 2.88Å; R103-N107 PolarHBondContact O-ND2 3.37Å; Y104-N107 PolarHBondContact O-N 3.12Å; N107-R109 VanDerWaalsContact C-N 3.33Å; N107-R109 PolarHBondContact O-N 3.38Å; N107-V110 CarbonylContact O-C 3.45Å; N107-V110 PolarHBondContact O-N 2.86Å; N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.02Å |
| 108 | K | 86 | Confident | 75.6 | Confident | 16 Ų | 16 | 81.3 Ų | 81.3 | 7% | 0.07 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 176.6 | -168.1 | 172.7 | -178.9 | 172.9 | 0 | 111.5 | D66 D69 Y104 W105 L106 V110 A111 D112 L124 | D66-K108 IonicContact OD1-NZ 2.7Å; D66-K108 PolarHBondContact OD1-NZ 3.35Å; D66-K108 IonicContact OD2-NZ 2.63Å; D66-K108 PolarHBondContact OD2-NZ 2.75Å; D69-K108 IonicContact OD1-NZ 3.8Å; D69-K108 PolarHBondContact OD1-NZ 3.47Å; D69-K108 IonicContact OD2-NZ 2.79Å; D69-K108 PolarHBondContact OD2-NZ 3.3Å; Y104-K108 HydrophobicContact CE1-CD 4.42Å; Y104-K108 PolarHBondContact O-N 3Å; W105-K108 PolarHBondContact O-N 2.88Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.48Å; K108-V110 PolarHBondContact O-N 3.43Å; K108-A111 PolarHBondContact O-N 3.47Å; K108-D112 PolarHBondContact O-N 3.07Å; K108-D112 VanDerWaalsContact O-N 3.09Å; K108-L124 HydrophobicContact CD-CD1 4.3Å; K108-L124 HydrophobicContact CD-CD2 4.42Å; K108-L124 HydrophobicContact CG-CD1 4.46Å; K108-L124 HydrophobicContact CG-CD2 3.95Å |
| 109 | R | 79.6 | Confident | 74.4 | Confident | 70 Ų | 70 | 85.7 Ų | 85.7 | 26% | 0.264 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.3 | -28.3 | 174.7 | -70.3 | -172.8 | 69.8 | -168.8 | 2.4 | 114.4 | W105 L106 N107 L124 | W105-R109 VanDerWaalsContact CH2-CD 3.45Å; W105-R109 VanDerWaalsContact CZ2-CD 3.45Å; W105-R109 HydrophobicContact CZ2-CG 4.49Å; W105-R109 WeakPolarHBondContact O-CG 3.19Å; W105-R109 PolarHBondContact O-N 3.19Å; W105-R109 VanDerWaalsContact O-N 3.12Å; L106-R109 PolarHBondContact O-N 2.83Å; N107-R109 VanDerWaalsContact C-N 3.33Å; N107-R109 PolarHBondContact O-N 3.38Å; R109-L124 HydrophobicContact CG-CD1 3.92Å; R109-L124 HydrophobicContact CG-CD2 3.94Å; R109-L124 HydrophobicContact CG-CG 3.94Å |
| 110 | V | 78.6 | Confident | 73.2 | Confident | 95 Ų | 95 | 87.4 Ų | 87.4 | 58% | 0.576 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -86.2 | -41.8 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | L106 N107 K108 N113 | L106-V110 WeakPolarHBondContact O-CG2 3.07Å; L106-V110 PolarHBondContact O-N 3.39Å; N107-V110 CarbonylContact O-C 3.45Å; N107-V110 PolarHBondContact O-N 2.86Å; K108-V110 PolarHBondContact O-N 3.43Å; V110-N113 PolarHBondContact O-N 3.22Å |
| 111 | A | 72.9 | Confident | 71.9 | Confident | 68 Ų | 68 | 87.5 Ų | 87.5 | 56% | 0.562 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.5 | -28 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N107 K108 N113 | N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.02Å; K108-A111 PolarHBondContact O-N 3.47Å; A111-N113 PolarHBondContact O-N 2.59Å |
| 112 | D | 62.8 | Low | 70.9 | Confident | 91 Ų | 91 | 89.3 Ų | 89.3 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 29.4 | 169.6 | -66.3 | -23.4 | 0 | 0 | 0 | 112.7 | K108 C114 L124 | K108-D112 PolarHBondContact O-N 3.07Å; K108-D112 VanDerWaalsContact O-N 3.09Å; D112-C114 PolarHBondContact O-N 3.43Å; D112-L124 VanDerWaalsContact OD2-CD2 3.31Å; D112-L124 WeakPolarHBondContact OD2-CD2 3.17Å |
| 113 | N | 52.8 | Low | 70.3 | Confident | 159 Ų | 159 | 85.9 Ų | 85.9 | 85% | 0.85 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 40.2 | 163.4 | -88.3 | -26.4 | 0 | 0 | 0 | 116.2 | V110 A111 | V110-N113 PolarHBondContact O-N 3.22Å; A111-N113 PolarHBondContact O-N 2.59Å |
| 114 | C | 52 | Low | 69.9 | Low | 21 Ų | 21 | 80.7 Ų | 80.7 | 14% | 0.142 | 44% | 0.438 | C | S | . | . | trans | -153.1 | 70.9 | -170.1 | -150.1 | 0 | 0 | 0 | 0 | 110.6 | D112 F116 C117 F118 | D112-C114 PolarHBondContact O-N 3.43Å; C114-F116 PolarHBondContact O-N 3.02Å; C114-F116 VanDerWaalsContact O-N 3.15Å; C114-C117 VanDerWaalsContact C-N 3.34Å; C114-C117 HydrophobicContact CB-CB 3.17Å; C114-C117 WeakPolarHBondContact CB-SG 3.49Å; C114-C117 WeakPolarHBondContact O-CA 3.45Å; C114-C117 VanDerWaalsContact O-CB 3.31Å; C114-C117 WeakPolarHBondContact O-CB 3.48Å; C114-C117 PolarHBondContact O-N 2.7Å; C114-C117 WeakPolarHBondContact SG-CA 3.36Å; C114-C117 WeakPolarHBondContact SG-CB 3.38Å; C114-C117 PolarHBondContact SG-N 3.35Å; C114-C117 CovalentContact SG-SG 2Å; C114-C117 PolarHBondContact SG-SG 2.92Å; C114-F118 PolarHBondContact O-N 2.86Å; C114-F118 VanDerWaalsContact O-N 3.16Å | ||
| 115 | S | 53.6 | Low | 69.6 | Low | 105 Ų | 105 | 82.1 Ų | 82.1 | 73% | 0.734 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -48.4 | -31.5 | 150.6 | -163.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 116 | F | 56 | Low | 69.4 | Low | 132 Ų | 132 | 84 Ų | 84 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.1 | -29 | 168.8 | -165.8 | -119.1 | 0 | 0 | 0 | 114.7 | C114 L119 L120 | C114-F116 PolarHBondContact O-N 3.02Å; C114-F116 VanDerWaalsContact O-N 3.15Å; F116-L119 CarbonylContact O-C 3.58Å; F116-L119 WeakPolarHBondContact O-CB 3.02Å; F116-L119 PolarHBondContact O-N 3.46Å; F116-L120 HydrophobicContact CD1-CD1 3.48Å; F116-L120 VanDerWaalsContact CD1-CD1 3.48Å; F116-L120 HydrophobicContact CD1-CG 3.98Å; F116-L120 HydrophobicContact CE1-CD1 3.04Å; F116-L120 HydrophobicContact CE1-CD2 4.47Å; F116-L120 HydrophobicContact CE1-CG 3.76Å; F116-L120 HydrophobicContact CE2-CD1 4.4Å; F116-L120 HydrophobicContact CE2-CG 4.28Å; F116-L120 HydrophobicContact CG-CD1 4.34Å; F116-L120 HydrophobicContact CG-CG 4.37Å; F116-L120 HydrophobicContact CZ-CD1 3.56Å; F116-L120 HydrophobicContact CZ-CD2 4.18Å; F116-L120 HydrophobicContact CZ-CG 3.89Å; F116-L120 WeakPolarHBondContact O-CB 3.33Å; F116-L120 WeakPolarHBondContact O-CG 3.38Å; F116-L120 PolarHBondContact O-N 3.36Å |
| 117 | C | 58.8 | Low | 69.3 | Low | 21 Ų | 21 | 87.7 Ų | 87.7 | 14% | 0.142 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -81.5 | -30 | -178.7 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | C114 L119 L120 G121 I122 | C114-C117 VanDerWaalsContact C-N 3.34Å; C114-C117 HydrophobicContact CB-CB 3.17Å; C114-C117 WeakPolarHBondContact CB-SG 3.49Å; C114-C117 WeakPolarHBondContact O-CA 3.45Å; C114-C117 VanDerWaalsContact O-CB 3.31Å; C114-C117 WeakPolarHBondContact O-CB 3.48Å; C114-C117 PolarHBondContact O-N 2.7Å; C114-C117 WeakPolarHBondContact SG-CA 3.36Å; C114-C117 WeakPolarHBondContact SG-CB 3.38Å; C114-C117 PolarHBondContact SG-N 3.35Å; C114-C117 CovalentContact SG-SG 2Å; C114-C117 PolarHBondContact SG-SG 2.92Å; C117-L119 PolarHBondContact O-N 3.37Å; C117-L120 PolarHBondContact O-N 2.85Å; C117-G121 WeakPolarHBondContact O-CA 3.31Å; C117-G121 PolarHBondContact O-N 3.3Å; C117-I122 HydrophobicContact CB-CB 3.73Å; C117-I122 HydrophobicContact CB-CD1 4.45Å; C117-I122 HydrophobicContact CB-CG1 4.04Å; C117-I122 PolarHBondContact O-N 3.31Å; C117-I122 VanDerWaalsContact SG-CD1 3.51Å |
| 118 | F | 54.4 | Low | 69.3 | Low | 140 Ų | 140 | 86.8 Ų | 86.8 | 61% | 0.614 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.1 | -39.6 | 166.5 | -168.3 | -94.2 | 0 | 0 | 0 | 110.6 | C114 | C114-F118 PolarHBondContact O-N 2.86Å; C114-F118 VanDerWaalsContact O-N 3.16Å |
| 119 | L | 57.9 | Low | 69.3 | Low | 140 Ų | 140 | 90 Ų | 90 | 73% | 0.733 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.2 | -34.3 | 175.8 | -70 | 169.2 | 0 | 0 | 0 | 113.5 | F116 C117 | F116-L119 CarbonylContact O-C 3.58Å; F116-L119 WeakPolarHBondContact O-CB 3.02Å; F116-L119 PolarHBondContact O-N 3.46Å; C117-L119 PolarHBondContact O-N 3.37Å |
| 120 | L | 61.3 | Low | 69.6 | Low | 101 Ų | 101 | 90.4 Ų | 90.4 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -89 | -3.1 | 179.7 | -73.9 | -167.4 | 0 | 0 | 0 | 114.5 | F116 C117 I122 | F116-L120 HydrophobicContact CD1-CD1 3.48Å; F116-L120 VanDerWaalsContact CD1-CD1 3.48Å; F116-L120 HydrophobicContact CD1-CG 3.98Å; F116-L120 HydrophobicContact CE1-CD1 3.04Å; F116-L120 HydrophobicContact CE1-CD2 4.47Å; F116-L120 HydrophobicContact CE1-CG 3.76Å; F116-L120 HydrophobicContact CE2-CD1 4.4Å; F116-L120 HydrophobicContact CE2-CG 4.28Å; F116-L120 HydrophobicContact CG-CD1 4.34Å; F116-L120 HydrophobicContact CG-CG 4.37Å; F116-L120 HydrophobicContact CZ-CD1 3.56Å; F116-L120 HydrophobicContact CZ-CD2 4.18Å; F116-L120 HydrophobicContact CZ-CG 3.89Å; F116-L120 WeakPolarHBondContact O-CB 3.33Å; F116-L120 WeakPolarHBondContact O-CG 3.38Å; F116-L120 PolarHBondContact O-N 3.36Å; C117-L120 PolarHBondContact O-N 2.85Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 HydrophobicContact CB-CD1 4.37Å; L120-I122 HydrophobicContact CB-CG1 3.92Å; L120-I122 HydrophobicContact CD1-CD1 4.35Å; L120-I122 PolarHBondContact O-N 2.78Å |
| 121 | G | 63.5 | Low | 69.7 | Low | 48 Ų | 48 | 87.8 Ų | 87.8 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 26.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | C117 T123 | C117-G121 WeakPolarHBondContact O-CA 3.31Å; C117-G121 PolarHBondContact O-N 3.3Å; G121-T123 PolarHBondContact O-N 3.42Å |
| 122 | I | 67 | Low | 70 | Confident | 89 Ų | 89 | 90.4 Ų | 90.4 | 46% | 0.456 | 50% | 0.5 | S | S | . | . | trans | -70.5 | 132.9 | 176.5 | -47.5 | -164.3 | 0 | 0 | 0 | 108.6 | C117 L120 | C117-I122 HydrophobicContact CB-CB 3.73Å; C117-I122 HydrophobicContact CB-CD1 4.45Å; C117-I122 HydrophobicContact CB-CG1 4.04Å; C117-I122 PolarHBondContact O-N 3.31Å; C117-I122 VanDerWaalsContact SG-CD1 3.51Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 HydrophobicContact CB-CD1 4.37Å; L120-I122 HydrophobicContact CB-CG1 3.92Å; L120-I122 HydrophobicContact CD1-CD1 4.35Å; L120-I122 PolarHBondContact O-N 2.78Å | ||
| 123 | T | 76.4 | Confident | 70.4 | Confident | 59 Ų | 59 | 97 Ų | 97 | 36% | 0.362 | 52% | 0.518 | S | S | . | . | trans | -91.4 | 157.3 | -178.7 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | G121 I125 Q127 | G121-T123 PolarHBondContact O-N 3.42Å; T123-I125 PolarHBondContact O-N 3.22Å; T123-I125 PolarHBondContact OG1-O 3.39Å; T123-Q127 VanDerWaalsContact OG1-CG 3.25Å; T123-Q127 WeakPolarHBondContact OG1-CG 3.16Å; T123-Q127 PolarHBondContact OG1-OE1 2.93Å | ||
| 124 | L | 81.6 | Confident | 71.2 | Confident | 44 Ų | 44 | 94.8 Ų | 94.8 | 23% | 0.23 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -64.2 | -24.6 | 176.5 | -68.1 | 172.1 | 0 | 0 | 0 | 112.2 | Y63 K108 R109 D112 | Y63-L124 HydrophobicContact CE2-CB 4.49Å; Y63-L124 HydrophobicContact CE2-CD1 4.07Å; K108-L124 HydrophobicContact CD-CD1 4.3Å; K108-L124 HydrophobicContact CD-CD2 4.42Å; K108-L124 HydrophobicContact CG-CD1 4.46Å; K108-L124 HydrophobicContact CG-CD2 3.95Å; R109-L124 HydrophobicContact CG-CD1 3.92Å; R109-L124 HydrophobicContact CG-CD2 3.94Å; R109-L124 HydrophobicContact CG-CG 3.94Å; D112-L124 VanDerWaalsContact OD2-CD2 3.31Å; D112-L124 WeakPolarHBondContact OD2-CD2 3.17Å |
| 125 | I | 84.2 | Confident | 72.2 | Confident | 71 Ų | 71 | 98.7 Ų | 98.7 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -95.4 | 127.9 | 178 | -61.1 | 170.5 | 0 | 0 | 0 | 108 | D62 Y63 T123 Q127 | D62-I125 VanDerWaalsContact O-CD1 3.29Å; D62-I125 WeakPolarHBondContact O-CD1 3.38Å; Y63-I125 HydrophobicContact CD2-CD1 4.26Å; T123-I125 PolarHBondContact O-N 3.22Å; T123-I125 PolarHBondContact OG1-O 3.39Å; I125-Q127 PolarHBondContact O-N 3.3Å; I125-Q127 VanDerWaalsContact O-N 3.13Å |
| 126 | P | 84.6 | Confident | 73.4 | Confident | 128 Ų | 128 | 95.7 Ų | 95.7 | 83% | 0.831 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 122 | 177.5 | -27.6 | 34.9 | 0 | 0 | 0 | 112.1 | ||
| 127 | Q | 84.2 | Confident | 74.8 | Confident | 141 Ų | 141 | 95.7 Ų | 95.7 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -103.8 | 148.8 | 177.2 | -78 | -176.5 | -27.9 | 0 | 0 | 111.4 | T123 I125 L129 | T123-Q127 VanDerWaalsContact OG1-CG 3.25Å; T123-Q127 WeakPolarHBondContact OG1-CG 3.16Å; T123-Q127 PolarHBondContact OG1-OE1 2.93Å; I125-Q127 PolarHBondContact O-N 3.3Å; I125-Q127 VanDerWaalsContact O-N 3.13Å; Q127-L129 PolarHBondContact O-N 2.98Å |
| 128 | V | 87.6 | Confident | 76.1 | Confident | 84 Ų | 84 | 99.6 Ų | 99.6 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 126.8 | 172.5 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | T130 A142 F143 | V128-T130 PolarHBondContact O-N 3.16Å; V128-T130 VanDerWaalsContact O-N 3.12Å; V128-A142 HydrophobicContact CG1-CB 3.69Å; V128-F143 HydrophobicContact CB-CE2 4.33Å; V128-F143 HydrophobicContact CG1-CD2 3.76Å; V128-F143 HydrophobicContact CG1-CE2 3.74Å; V128-F143 HydrophobicContact CG2-CE2 4.22Å |
| 129 | L | 85.5 | Confident | 77.8 | Confident | 82 Ų | 82 | 97.6 Ų | 97.6 | 43% | 0.429 | 56% | 0.559 | S | S | . | * | trans | -66.5 | 112.2 | 175 | -177.6 | 64.2 | 0 | 0 | 0 | 109.4 | Q127 M138 I141 A142 | Q127-L129 PolarHBondContact O-N 2.98Å; L129-M138 HydrophobicContact CD2-CG 4.08Å; L129-I141 HydrophobicContact CD2-CG1 3.75Å; L129-I141 HydrophobicContact CG-CG1 4.01Å; L129-I141 WeakPolarHBondContact O-CA 3.03Å; L129-A142 PolarHBondContact O-N 2.7Å | ||
| 130 | T | 85.6 | Confident | 79.3 | Confident | 80 Ų | 80 | 99.9 Ų | 99.9 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | B | Isolated β-bridge | trans | -95.4 | 161.5 | 179.4 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | V128 N132 | V128-T130 PolarHBondContact O-N 3.16Å; V128-T130 VanDerWaalsContact O-N 3.12Å; T130-N132 PolarHBondContact O-N 3.22Å |
| 131 | D | 81.8 | Confident | 80.6 | Confident | 39 Ų | 39 | 96.4 Ų | 96.4 | 21% | 0.209 | 54% | 0.541 | C | S | . | . | trans | -71.9 | 118.9 | -178.3 | -164.7 | -11 | 0 | 0 | 0 | 111.7 | R133 I141 R144 | D131-R133 PolarHBondContact O-N 3.37Å; D131-R133 WeakPolarHBondContact OD1-CA 2.84Å; D131-R133 PolarHBondContact OD1-N 3.36Å; D131-I141 HydrophobicContact CB-CG2 3.93Å; D131-R144 HydrophobicContact CB-CB 4.29Å; D131-R144 HydrophobicContact CB-CG 3.96Å; D131-R144 IonicContact OD1-NH1 3.65Å; D131-R144 PolarHBondContact OD1-NH1 2.74Å; D131-R144 VanDerWaalsContact OD2-CD 3.3Å; D131-R144 WeakPolarHBondContact OD2-CD 3.26Å; D131-R144 VanDerWaalsContact OD2-CG 3.28Å; D131-R144 WeakPolarHBondContact OD2-CG 3.31Å; D131-R144 IonicContact OD2-CZ 2.64Å; D131-R144 IonicContact OD2-NE 2.8Å; D131-R144 IonicContact OD2-NH1 3.99Å; D131-R144 PolarHBondContact OD2-NH1 3.15Å | ||
| 132 | N | 78.1 | Confident | 81.8 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 66% | 0.663 | 53% | 0.531 | S | S | * | . | trans | -79.1 | 10.6 | 172.9 | -75 | -13.1 | 0 | 0 | 0 | 113.3 | T130 D134 | T130-N132 PolarHBondContact O-N 3.22Å; N132-D134 PolarHBondContact O-N 3.06Å | ||
| 133 | R | 72.7 | Confident | 82.9 | Confident | 228 Ų | 228 | 99 Ų | 99 | 86% | 0.86 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 70 | 1.7 | -172.3 | -50.9 | -179.7 | 173.3 | -174.7 | -0 | 114.3 | D131 | D131-R133 PolarHBondContact O-N 3.37Å; D131-R133 WeakPolarHBondContact OD1-CA 2.84Å; D131-R133 PolarHBondContact OD1-N 3.36Å |
| 134 | D | 69.2 | Low | 83.3 | Confident | 113 Ų | 113 | 101.4 Ų | 101.4 | 60% | 0.604 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -80.3 | 132.8 | 165.9 | -59.9 | -39.9 | 0 | 0 | 0 | 108 | N132 S136 | N132-D134 PolarHBondContact O-N 3.06Å; D134-S136 PolarHBondContact O-N 2.74Å |
| 135 | A | 71.6 | Confident | 83.3 | Confident | 103 Ų | 103 | 110.4 Ų | 110.4 | 85% | 0.851 | 58% | 0.575 | S | S | * | * | trans | -71.7 | 48.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 136 | S | 80.2 | Confident | 82.9 | Confident | 43 Ų | 43 | 118.1 Ų | 118.1 | 30% | 0.301 | 60% | 0.6 | S | S | . | * | trans | -66.7 | 132.2 | -179.8 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | D134 M138 R144 | D134-S136 PolarHBondContact O-N 2.74Å; S136-M138 PolarHBondContact O-N 3.09Å; S136-M138 PolarHBondContact OG-N 2.67Å; S136-R144 PolarHBondContact O-NH2 3.47Å | ||
| 137 | P | 84.3 | Confident | 82.1 | Confident | 132 Ų | 132 | 121.5 Ų | 121.5 | 86% | 0.857 | 60% | 0.602 | S | S | * | * | trans | -76.9 | 6.8 | 178.4 | 33.1 | -36.1 | 0 | 0 | 0 | 113.3 | A139 | P137-A139 PolarHBondContact O-N 3.09Š| ||
| 138 | M | 86.2 | Confident | 81.6 | Confident | 102 Ų | 102 | 122.9 Ų | 122.9 | 50% | 0.502 | 61% | 0.608 | S | S | . | * | trans | -61 | 124.9 | -176.5 | -170.5 | 72 | 74.4 | 0 | 0 | 112.1 | L129 S136 Y140 I141 | L129-M138 HydrophobicContact CD2-CG 4.08Å; S136-M138 PolarHBondContact O-N 3.09Å; S136-M138 PolarHBondContact OG-N 2.67Å; M138-Y140 VanDerWaalsContact C-N 3.26Å; M138-Y140 PolarHBondContact O-N 3.47Å; M138-I141 HydrophobicContact CB-CD1 3.8Å; M138-I141 HydrophobicContact CB-CG1 4.01Å; M138-I141 HydrophobicContact CG-CG1 4.48Å; M138-I141 PolarHBondContact O-N 2.77Å | ||
| 139 | A | 89.7 | Confident | 81 | Confident | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -25.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | P137 I141 | P137-A139 PolarHBondContact O-N 3.09Å; A139-I141 VanDerWaalsContact C-N 3.33Å; A139-I141 PolarHBondContact O-N 3.34Å |
| 140 | Y | 89.7 | Confident | 80.5 | Confident | 189 Ų | 189 | 132.3 Ų | 132.3 | 74% | 0.741 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -7.8 | -179.5 | -68.1 | -75.3 | 0 | 0 | 0 | 114.5 | M138 A142 | M138-Y140 VanDerWaalsContact C-N 3.26Å; M138-Y140 PolarHBondContact O-N 3.47Å; Y140-A142 PolarHBondContact O-N 2.97Å |
| 141 | I | 89.1 | Confident | 80.1 | Confident | 27 Ų | 27 | 132.6 Ų | 132.6 | 14% | 0.138 | 66% | 0.655 | C | S | . | * | trans | -72.1 | 114 | 178.4 | -64.2 | 169.4 | 0 | 0 | 0 | 109.7 | L129 D131 M138 A139 R144 | L129-I141 HydrophobicContact CD2-CG1 3.75Å; L129-I141 HydrophobicContact CG-CG1 4.01Å; L129-I141 WeakPolarHBondContact O-CA 3.03Å; D131-I141 HydrophobicContact CB-CG2 3.93Å; M138-I141 HydrophobicContact CB-CD1 3.8Å; M138-I141 HydrophobicContact CB-CG1 4.01Å; M138-I141 HydrophobicContact CG-CG1 4.48Å; M138-I141 PolarHBondContact O-N 2.77Å; A139-I141 VanDerWaalsContact C-N 3.33Å; A139-I141 PolarHBondContact O-N 3.34Å; I141-R144 HydrophobicContact CG2-CG 4.1Å | ||
| 142 | A | 89 | Confident | 80 | Confident | 33 Ų | 33 | 137.1 Ų | 137.1 | 27% | 0.273 | 69% | 0.685 | S | S | . | * | B | Isolated β-bridge | trans | -114.3 | 168 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | V128 L129 Y140 R144 | V128-A142 HydrophobicContact CG1-CB 3.69Å; L129-A142 PolarHBondContact O-N 2.7Å; Y140-A142 PolarHBondContact O-N 2.97Å; A142-R144 VanDerWaalsContact C-N 3.34Å; A142-R144 PolarHBondContact O-N 2.83Å |
| 143 | F | 88.7 | Confident | 80.3 | Confident | 159 Ų | 159 | 139.7 Ų | 139.7 | 70% | 0.697 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 55.4 | 37.9 | 172.9 | -49.9 | -62.1 | 0 | 0 | 0 | 115.7 | V128 R145 | V128-F143 HydrophobicContact CB-CE2 4.33Å; V128-F143 HydrophobicContact CG1-CD2 3.76Å; V128-F143 HydrophobicContact CG1-CE2 3.74Å; V128-F143 HydrophobicContact CG2-CE2 4.22Å; F143-R145 PolarHBondContact O-N 3.17Å; F143-R145 VanDerWaalsContact O-N 3.11Å |
| 144 | R | 85.9 | Confident | 80.7 | Confident | 110 Ų | 110 | 135 Ų | 135 | 42% | 0.415 | 67% | 0.671 | S | S | . | * | trans | -53.8 | 117.7 | 177.6 | -59.1 | -167.2 | 174.5 | -107.8 | 6.3 | 111.4 | D131 S136 I141 A142 R146 | D131-R144 HydrophobicContact CB-CB 4.29Å; D131-R144 HydrophobicContact CB-CG 3.96Å; D131-R144 IonicContact OD1-NH1 3.65Å; D131-R144 PolarHBondContact OD1-NH1 2.74Å; D131-R144 VanDerWaalsContact OD2-CD 3.3Å; D131-R144 WeakPolarHBondContact OD2-CD 3.26Å; D131-R144 VanDerWaalsContact OD2-CG 3.28Å; D131-R144 WeakPolarHBondContact OD2-CG 3.31Å; D131-R144 IonicContact OD2-CZ 2.64Å; D131-R144 IonicContact OD2-NE 2.8Å; D131-R144 IonicContact OD2-NH1 3.99Å; D131-R144 PolarHBondContact OD2-NH1 3.15Å; S136-R144 PolarHBondContact O-NH2 3.47Å; I141-R144 HydrophobicContact CG2-CG 4.1Å; A142-R144 VanDerWaalsContact C-N 3.34Å; A142-R144 PolarHBondContact O-N 2.83Å; R144-R146 PolarHBondContact O-N 3.42Å | ||
| 145 | R | 80.9 | Confident | 81.4 | Confident | 233 Ų | 233 | 137.4 Ų | 137.4 | 88% | 0.879 | 67% | 0.672 | S | S | * | * | trans | -86.6 | 107.8 | 171.9 | -67.3 | -178.5 | 176.8 | 166.8 | -0.5 | 108.6 | F143 | F143-R145 PolarHBondContact O-N 3.17Å; F143-R145 VanDerWaalsContact O-N 3.11Å | ||
| 146 | R | 75.5 | Confident | 82 | Confident | 233 Ų | 233 | 141.2 Ų | 141.2 | 88% | 0.879 | 66% | 0.664 | S | S | * | * | trans | -64.6 | 153.7 | 164.4 | -63.1 | -169.9 | -176 | 110.5 | 1 | 108.2 | R144 E148 | R144-R146 PolarHBondContact O-N 3.42Å; R146-E148 PolarHBondContact O-N 2.85Å | ||
| 147 | K | 69.4 | Low | 82.2 | Confident | 199 Ų | 199 | 145 Ų | 145 | 87% | 0.865 | 68% | 0.675 | S | S | * | * | trans | -45.4 | 113.8 | 171.8 | -73.7 | -175.9 | -179.8 | 179.3 | 0 | 107.5 | K149 | K147-K149 PolarHBondContact O-N 3.35Š| ||
| 148 | E | 72.1 | Confident | 82.4 | Confident | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 65% | 0.65 | S | S | * | * | trans | -53.7 | 139.8 | 171 | -170.5 | 174.5 | 179.7 | 0 | 0 | 106.4 | R146 I150 | R146-E148 PolarHBondContact O-N 2.85Å; E148-I150 PolarHBondContact O-N 2.88Å | ||
| 149 | K | 77 | Confident | 82.4 | Confident | 200 Ų | 200 | 138.6 Ų | 138.6 | 87% | 0.87 | 64% | 0.636 | S | S | * | * | trans | -66.5 | 91.8 | 175.7 | -70.4 | -176.5 | -179.6 | -179.6 | 0 | 106.7 | K147 A151 | K147-K149 PolarHBondContact O-N 3.35Å; K149-A151 VanDerWaalsContact C-N 3.34Å; K149-A151 PolarHBondContact O-N 3.32Å | ||
| 150 | I | 73.2 | Confident | 82.4 | Confident | 163 Ų | 163 | 139.9 Ų | 139.9 | 84% | 0.836 | 63% | 0.625 | S | S | * | * | trans | -66.8 | 102.7 | 170 | -58.8 | 175.8 | 0 | 0 | 0 | 105.1 | E148 | E148-I150 PolarHBondContact O-N 2.88Š| ||
| 151 | A | 78.2 | Confident | 82.5 | Confident | 86 Ų | 86 | 134.8 Ų | 134.8 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 145.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | K149 | K149-A151 VanDerWaalsContact C-N 3.34Å; K149-A151 PolarHBondContact O-N 3.32Å |
| 152 | T | 78.9 | Confident | 82.6 | Confident | 135 Ų | 135 | 136.3 Ų | 136.3 | 83% | 0.828 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 156.9 | 170.4 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 153 | R | 84.2 | Confident | 82.7 | Confident | 178 Ų | 178 | 139 Ų | 139 | 67% | 0.672 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 138.6 | 177.1 | -166.7 | 179.9 | 171.4 | 179.5 | -3.1 | 111.7 | E159 | R153-E159 WeakPolarHBondContact CD-OE1 3.15Å; R153-E159 WeakPolarHBondContact CG-OE1 3.38Å; R153-E159 IonicContact CZ-OE1 3.85Å; R153-E159 IonicContact CZ-OE2 3.06Å; R153-E159 IonicContact NE-OE1 2.88Å; R153-E159 PolarHBondContact NE-OE1 3.39Å; R153-E159 IonicContact NE-OE2 2.7Å; R153-E159 PolarHBondContact NE-OE2 2.7Å; R153-E159 IonicContact NH2-OE1 3.28Å; R153-E159 IonicContact NH2-OE2 3.24Å; R153-E159 PolarHBondContact NH2-OE2 3.34Å |
| 154 | K | 81.4 | Confident | 82.9 | Confident | 129 Ų | 129 | 136.3 Ų | 136.3 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 161.9 | 175.5 | -67.1 | 176.9 | 179 | 173.9 | 0 | 110.3 | T158 E159 | K154-T158 HydrophobicContact CB-CG2 4.32Å; K154-T158 HydrophobicContact CD-CG2 4.1Å; K154-E159 HydrophobicContact CB-CG 3.9Å |
| 155 | W | 83.4 | Confident | 83.3 | Confident | 164 Ų | 164 | 139.5 Ų | 139.5 | 62% | 0.621 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 138.9 | 174.1 | 179.6 | 66 | 0 | 0 | 0 | 111.1 | K157 T158 E159 | W155-K157 VanDerWaalsContact C-N 3.3Å; W155-K157 HydrophobicContact CD2-CB 4.27Å; W155-K157 HydrophobicContact CD2-CG 4.3Å; W155-K157 HydrophobicContact CE3-CB 3.65Å; W155-K157 HydrophobicContact CE3-CG 4.06Å; W155-K157 HydrophobicContact CH2-CB 3.78Å; W155-K157 HydrophobicContact CH2-CD 3.19Å; W155-K157 VanDerWaalsContact CH2-CE 3.45Å; W155-K157 HydrophobicContact CH2-CG 3.44Å; W155-K157 VanDerWaalsContact CH2-CG 3.44Å; W155-K157 HydrophobicContact CZ2-CB 4.31Å; W155-K157 HydrophobicContact CZ2-CD 3.66Å; W155-K157 VanDerWaalsContact CZ2-CE 3.48Å; W155-K157 HydrophobicContact CZ2-CG 3.64Å; W155-K157 HydrophobicContact CZ3-CB 3.4Å; W155-K157 HydrophobicContact CZ3-CD 3.74Å; W155-K157 HydrophobicContact CZ3-CG 3.65Å; W155-K157 PolarHBondContact O-N 3.41Å; W155-K157 VanDerWaalsContact O-N 3.12Å; W155-T158 WeakPolarHBondContact O-CA 3.49Å; W155-T158 VanDerWaalsContact O-CB 3.25Å; W155-T158 WeakPolarHBondContact O-CB 3.33Å; W155-T158 PolarHBondContact O-N 3.17Å; W155-E159 PolarHBondContact O-N 3.29Å |
| 156 | R | 85.2 | Confident | 83.9 | Confident | 182 Ų | 182 | 130 Ų | 130 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -52.1 | -40.7 | -169.1 | -73 | -173.5 | 179.1 | 92.5 | -2.2 | 114.2 | E159 Q160 | R156-E159 PolarHBondContact O-N 3.47Å; R156-Q160 WeakPolarHBondContact O-CG 3.32Å; R156-Q160 PolarHBondContact O-N 2.58Å; R156-Q160 VanDerWaalsContact O-N 3.07Å |
| 157 | K | 84 | Confident | 84.8 | Confident | 123 Ų | 123 | 125.1 Ų | 125.1 | 54% | 0.535 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70 | -36.5 | 177.9 | -45.7 | -166.7 | -165.8 | 170.1 | 0 | 111.8 | W155 E159 Q160 D161 | W155-K157 VanDerWaalsContact C-N 3.3Å; W155-K157 HydrophobicContact CD2-CB 4.27Å; W155-K157 HydrophobicContact CD2-CG 4.3Å; W155-K157 HydrophobicContact CE3-CB 3.65Å; W155-K157 HydrophobicContact CE3-CG 4.06Å; W155-K157 HydrophobicContact CH2-CB 3.78Å; W155-K157 HydrophobicContact CH2-CD 3.19Å; W155-K157 VanDerWaalsContact CH2-CE 3.45Å; W155-K157 HydrophobicContact CH2-CG 3.44Å; W155-K157 VanDerWaalsContact CH2-CG 3.44Å; W155-K157 HydrophobicContact CZ2-CB 4.31Å; W155-K157 HydrophobicContact CZ2-CD 3.66Å; W155-K157 VanDerWaalsContact CZ2-CE 3.48Å; W155-K157 HydrophobicContact CZ2-CG 3.64Å; W155-K157 HydrophobicContact CZ3-CB 3.4Å; W155-K157 HydrophobicContact CZ3-CD 3.74Å; W155-K157 HydrophobicContact CZ3-CG 3.65Å; W155-K157 PolarHBondContact O-N 3.41Å; W155-K157 VanDerWaalsContact O-N 3.12Å; K157-E159 VanDerWaalsContact C-N 3.27Å; K157-E159 PolarHBondContact O-N 2.92Å; K157-Q160 PolarHBondContact O-N 2.58Å; K157-D161 PolarHBondContact O-N 2.69Å |
| 158 | T | 88.1 | Confident | 86 | Confident | 55 Ų | 55 | 119.4 Ų | 119.4 | 34% | 0.337 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.1 | -37.9 | 172.7 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | K154 W155 D161 T162 | K154-T158 HydrophobicContact CB-CG2 4.32Å; K154-T158 HydrophobicContact CD-CG2 4.1Å; W155-T158 WeakPolarHBondContact O-CA 3.49Å; W155-T158 VanDerWaalsContact O-CB 3.25Å; W155-T158 WeakPolarHBondContact O-CB 3.33Å; W155-T158 PolarHBondContact O-N 3.17Å; T158-D161 PolarHBondContact O-N 3.3Å; T158-T162 VanDerWaalsContact O-CG2 3.3Å; T158-T162 WeakPolarHBondContact O-CG2 2.86Å; T158-T162 PolarHBondContact O-N 3.32Å; T158-T162 PolarHBondContact O-OG1 2Å |
| 159 | E | 87.7 | Confident | 87 | Confident | 45 Ų | 45 | 115 Ų | 115 | 21% | 0.21 | 57% | 0.568 | C | S | . | * | H | α-helix | trans | -66.8 | -44.2 | 175.5 | -68.7 | -174.5 | 138.7 | 0 | 0 | 112.7 | R153 K154 W155 R156 K157 D161 T162 V163 | R153-E159 WeakPolarHBondContact CD-OE1 3.15Å; R153-E159 WeakPolarHBondContact CG-OE1 3.38Å; R153-E159 IonicContact CZ-OE1 3.85Å; R153-E159 IonicContact CZ-OE2 3.06Å; R153-E159 IonicContact NE-OE1 2.88Å; R153-E159 PolarHBondContact NE-OE1 3.39Å; R153-E159 IonicContact NE-OE2 2.7Å; R153-E159 PolarHBondContact NE-OE2 2.7Å; R153-E159 IonicContact NH2-OE1 3.28Å; R153-E159 IonicContact NH2-OE2 3.24Å; R153-E159 PolarHBondContact NH2-OE2 3.34Å; K154-E159 HydrophobicContact CB-CG 3.9Å; W155-E159 PolarHBondContact O-N 3.29Å; R156-E159 PolarHBondContact O-N 3.47Å; K157-E159 VanDerWaalsContact C-N 3.27Å; K157-E159 PolarHBondContact O-N 2.92Å; E159-D161 VanDerWaalsContact C-N 3.28Å; E159-D161 PolarHBondContact O-N 2.79Å; E159-T162 WeakPolarHBondContact CA-OG1 3.36Å; E159-T162 PolarHBondContact O-N 3.03Å; E159-T162 VanDerWaalsContact O-N 3.1Å; E159-T162 PolarHBondContact O-OG1 2.84Å; E159-V163 WeakPolarHBondContact O-CG2 3.45Å; E159-V163 PolarHBondContact O-N 3.3Å |
| 160 | Q | 88.2 | Confident | 87.8 | Confident | 124 Ų | 124 | 107.6 Ų | 107.6 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.1 | -45 | 173.3 | -71 | 174.8 | -27.4 | 0 | 0 | 110.8 | R156 K157 T162 V163 I164 | R156-Q160 WeakPolarHBondContact O-CG 3.32Å; R156-Q160 PolarHBondContact O-N 2.58Å; R156-Q160 VanDerWaalsContact O-N 3.07Å; K157-Q160 PolarHBondContact O-N 2.58Å; Q160-T162 PolarHBondContact O-N 3.08Å; Q160-V163 PolarHBondContact O-N 3.14Å; Q160-I164 WeakPolarHBondContact O-CG1 3.42Å; Q160-I164 PolarHBondContact O-N 3.28Å |
| 161 | D | 92 | Very high | 88.7 | Confident | 82 Ų | 82 | 105.6 Ų | 105.6 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 174.7 | -68.3 | -21.6 | 0 | 0 | 0 | 112.3 | K157 T158 E159 I164 R165 | K157-D161 PolarHBondContact O-N 2.69Å; T158-D161 PolarHBondContact O-N 3.3Å; E159-D161 VanDerWaalsContact C-N 3.28Å; E159-D161 PolarHBondContact O-N 2.79Å; D161-I164 PolarHBondContact O-N 3.23Å; D161-R165 WeakPolarHBondContact O-CB 2.88Å; D161-R165 VanDerWaalsContact O-CG 3.28Å; D161-R165 WeakPolarHBondContact O-CG 3.44Å; D161-R165 PolarHBondContact O-N 3.24Å |
| 162 | T | 91 | Very high | 89.4 | Confident | 59 Ų | 59 | 104.7 Ų | 104.7 | 36% | 0.362 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -35.5 | 177.4 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | T158 E159 Q160 R165 G166 | T158-T162 VanDerWaalsContact O-CG2 3.3Å; T158-T162 WeakPolarHBondContact O-CG2 2.86Å; T158-T162 PolarHBondContact O-N 3.32Å; T158-T162 PolarHBondContact O-OG1 2Å; E159-T162 WeakPolarHBondContact CA-OG1 3.36Å; E159-T162 PolarHBondContact O-N 3.03Å; E159-T162 VanDerWaalsContact O-N 3.1Å; E159-T162 PolarHBondContact O-OG1 2.84Å; Q160-T162 PolarHBondContact O-N 3.08Å; T162-R165 PolarHBondContact O-N 3.28Å; T162-G166 PolarHBondContact O-N 3.06Å |
| 163 | V | 91.3 | Very high | 90 | Very high | 91 Ų | 91 | 103.7 Ų | 103.7 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -47.9 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | E159 Q160 R165 G166 M167 | E159-V163 WeakPolarHBondContact O-CG2 3.45Å; E159-V163 PolarHBondContact O-N 3.3Å; Q160-V163 PolarHBondContact O-N 3.14Å; V163-R165 PolarHBondContact O-N 3.48Å; V163-G166 WeakPolarHBondContact O-CA 3.18Å; V163-G166 PolarHBondContact O-N 3.41Å; V163-G166 VanDerWaalsContact O-N 3.14Å; V163-M167 HydrophobicContact CG1-SD 4.41Å; V163-M167 WeakPolarHBondContact O-CG 3.29Å; V163-M167 PolarHBondContact O-N 3.23Å |
| 164 | I | 93.1 | Very high | 90.2 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 177.2 | -65.6 | 165.8 | 0 | 0 | 0 | 110.6 | Q160 D161 G166 M167 V168 | Q160-I164 WeakPolarHBondContact O-CG1 3.42Å; Q160-I164 PolarHBondContact O-N 3.28Å; D161-I164 PolarHBondContact O-N 3.23Å; I164-G166 VanDerWaalsContact C-N 3.3Å; I164-G166 PolarHBondContact O-N 2.69Å; I164-M167 PolarHBondContact O-N 3.09Å; I164-V168 WeakPolarHBondContact O-CG2 3.36Å; I164-V168 PolarHBondContact O-N 3.11Å |
| 165 | R | 94.4 | Very high | 90.6 | Very high | 177 Ų | 177 | 97.7 Ų | 97.7 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 175.7 | -72.4 | 176.1 | -162.6 | -117.3 | 3.5 | 111.7 | D161 T162 V163 M167 V168 T169 | D161-R165 WeakPolarHBondContact O-CB 2.88Å; D161-R165 VanDerWaalsContact O-CG 3.28Å; D161-R165 WeakPolarHBondContact O-CG 3.44Å; D161-R165 PolarHBondContact O-N 3.24Å; T162-R165 PolarHBondContact O-N 3.28Å; V163-R165 PolarHBondContact O-N 3.48Å; R165-M167 VanDerWaalsContact C-N 3.33Å; R165-M167 PolarHBondContact O-N 3.23Å; R165-V168 PolarHBondContact O-N 3.2Å; R165-T169 WeakPolarHBondContact O-CG2 3.28Å; R165-T169 PolarHBondContact O-N 3.08Å; R165-T169 PolarHBondContact O-OG1 3.06Å; R165-T169 VanDerWaalsContact O-OG1 3.09Å |
| 166 | G | 94 | Very high | 90.8 | Very high | 33 Ų | 33 | 92.8 Ų | 92.8 | 34% | 0.34 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T162 V163 I164 T169 A170 | T162-G166 PolarHBondContact O-N 3.06Å; V163-G166 WeakPolarHBondContact O-CA 3.18Å; V163-G166 PolarHBondContact O-N 3.41Å; V163-G166 VanDerWaalsContact O-N 3.14Å; I164-G166 VanDerWaalsContact C-N 3.3Å; I164-G166 PolarHBondContact O-N 2.69Å; G166-T169 VanDerWaalsContact CA-OG1 3.31Å; G166-T169 WeakPolarHBondContact CA-OG1 3.44Å; G166-T169 PolarHBondContact O-N 3.23Å; G166-T169 PolarHBondContact O-OG1 3.16Å; G166-A170 WeakPolarHBondContact O-CB 2.72Å; G166-A170 PolarHBondContact O-N 3.09Å |
| 167 | M | 93.4 | Very high | 90.9 | Very high | 132 Ų | 132 | 87 Ų | 87 | 65% | 0.65 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 176 | -64.8 | 175.6 | 77.3 | 0 | 0 | 112.1 | V163 I164 R165 A170 Q171 | V163-M167 HydrophobicContact CG1-SD 4.41Å; V163-M167 WeakPolarHBondContact O-CG 3.29Å; V163-M167 PolarHBondContact O-N 3.23Å; I164-M167 PolarHBondContact O-N 3.09Å; R165-M167 VanDerWaalsContact C-N 3.33Å; R165-M167 PolarHBondContact O-N 3.23Å; M167-A170 PolarHBondContact O-N 3.11Å; M167-Q171 WeakPolarHBondContact O-CB 2.95Å; M167-Q171 PolarHBondContact O-N 3.47Å |
| 168 | V | 95 | Very high | 91 | Very high | 78 Ų | 78 | 85.2 Ų | 85.2 | 47% | 0.473 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | I164 R165 Q171 S172 | I164-V168 WeakPolarHBondContact O-CG2 3.36Å; I164-V168 PolarHBondContact O-N 3.11Å; R165-V168 PolarHBondContact O-N 3.2Å; V168-Q171 PolarHBondContact O-N 3.24Å; V168-S172 WeakPolarHBondContact O-CB 2.91Å; V168-S172 PolarHBondContact O-N 3.14Å; V168-S172 PolarHBondContact O-OG 2.71Å |
| 169 | T | 93.3 | Very high | 90.9 | Very high | 78 Ų | 78 | 90.4 Ų | 90.4 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 176.2 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | R165 G166 S172 I173 | R165-T169 WeakPolarHBondContact O-CG2 3.28Å; R165-T169 PolarHBondContact O-N 3.08Å; R165-T169 PolarHBondContact O-OG1 3.06Å; R165-T169 VanDerWaalsContact O-OG1 3.09Å; G166-T169 VanDerWaalsContact CA-OG1 3.31Å; G166-T169 WeakPolarHBondContact CA-OG1 3.44Å; G166-T169 PolarHBondContact O-N 3.23Å; G166-T169 PolarHBondContact O-OG1 3.16Å; T169-S172 WeakPolarHBondContact O-CB 3.2Å; T169-S172 PolarHBondContact O-N 3.29Å; T169-I173 VanDerWaalsContact O-CG1 3.27Å; T169-I173 WeakPolarHBondContact O-CG1 3.3Å; T169-I173 PolarHBondContact O-N 3.04Å |
| 170 | A | 93.5 | Very high | 90.5 | Very high | 45 Ų | 45 | 89.7 Ų | 89.7 | 37% | 0.372 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | G166 M167 S172 I173 D174 | G166-A170 WeakPolarHBondContact O-CB 2.72Å; G166-A170 PolarHBondContact O-N 3.09Å; M167-A170 PolarHBondContact O-N 3.11Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3.17Å; A170-I173 WeakPolarHBondContact O-CB 3.23Å; A170-I173 PolarHBondContact O-N 3.39Å; A170-I173 VanDerWaalsContact O-N 3.08Å; A170-D174 PolarHBondContact O-N 3.48Å |
| 171 | Q | 93.2 | Very high | 90 | Very high | 121 Ų | 121 | 87.7 Ų | 87.7 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.7 | -40.8 | 174.7 | -171.7 | 179.9 | 22.2 | 0 | 0 | 112.1 | M167 V168 I173 D174 I175 | M167-Q171 WeakPolarHBondContact O-CB 2.95Å; M167-Q171 PolarHBondContact O-N 3.47Å; V168-Q171 PolarHBondContact O-N 3.24Å; Q171-I173 VanDerWaalsContact C-N 3.32Å; Q171-I173 PolarHBondContact O-N 2.73Å; Q171-D174 PolarHBondContact O-N 3.13Å; Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.04Å; Q171-I175 WeakPolarHBondContact O-CG1 2.9Å; Q171-I175 PolarHBondContact O-N 2.78Å |
| 172 | S | 92.5 | Very high | 89.4 | Confident | 67 Ų | 67 | 86.8 Ų | 86.8 | 47% | 0.469 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -38.1 | 175.5 | -60 | 0 | 0 | 0 | 0 | 112.1 | V168 T169 A170 A176 | V168-S172 WeakPolarHBondContact O-CB 2.91Å; V168-S172 PolarHBondContact O-N 3.14Å; V168-S172 PolarHBondContact O-OG 2.71Å; T169-S172 WeakPolarHBondContact O-CB 3.2Å; T169-S172 PolarHBondContact O-N 3.29Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3.17Å; S172-A176 VanDerWaalsContact O-CB 3.25Å; S172-A176 WeakPolarHBondContact O-CB 3.34Å; S172-A176 PolarHBondContact O-N 2.74Å |
| 173 | I | 90.8 | Very high | 88.8 | Confident | 113 Ų | 113 | 89.2 Ų | 89.2 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.3 | -43.3 | 175.1 | -68.9 | 163.2 | 0 | 0 | 0 | 110.7 | T169 A170 Q171 I175 A176 S177 | T169-I173 VanDerWaalsContact O-CG1 3.27Å; T169-I173 WeakPolarHBondContact O-CG1 3.3Å; T169-I173 PolarHBondContact O-N 3.04Å; A170-I173 WeakPolarHBondContact O-CB 3.23Å; A170-I173 PolarHBondContact O-N 3.39Å; A170-I173 VanDerWaalsContact O-N 3.08Å; Q171-I173 VanDerWaalsContact C-N 3.32Å; Q171-I173 PolarHBondContact O-N 2.73Å; I173-I175 PolarHBondContact O-N 2.77Å; I173-A176 PolarHBondContact O-N 2.97Å; I173-S177 VanDerWaalsContact O-CB 3.23Å; I173-S177 WeakPolarHBondContact O-CB 3.32Å; I173-S177 PolarHBondContact O-N 2.84Å |
| 174 | D | 89.5 | Confident | 88.1 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 178.3 | -69.4 | -24.1 | 0 | 0 | 0 | 111.7 | A170 Q171 S177 T178 | A170-D174 PolarHBondContact O-N 3.48Å; Q171-D174 PolarHBondContact O-N 3.13Å; D174-S177 PolarHBondContact O-N 3.2Å; D174-T178 WeakPolarHBondContact O-CB 3.26Å; D174-T178 PolarHBondContact O-N 3.06Å; D174-T178 PolarHBondContact O-OG1 3.43Å |
| 175 | I | 89.4 | Confident | 87.4 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 174.7 | -69.8 | 168.9 | 0 | 0 | 0 | 109.9 | Q171 I173 S177 T178 Y179 | Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.04Å; Q171-I175 WeakPolarHBondContact O-CG1 2.9Å; Q171-I175 PolarHBondContact O-N 2.78Å; I173-I175 PolarHBondContact O-N 2.77Å; I175-S177 VanDerWaalsContact C-N 3.33Å; I175-S177 PolarHBondContact O-N 3.22Å; I175-T178 PolarHBondContact O-N 2.73Å; I175-Y179 HydrophobicContact CG2-CD2 3.52Å; I175-Y179 HydrophobicContact CG2-CE2 3.3Å; I175-Y179 WeakPolarHBondContact O-CD2 3.43Å; I175-Y179 PolarHBondContact O-N 2.9Å |
| 176 | A | 87.4 | Confident | 86.5 | Confident | 61 Ų | 61 | 88.9 Ų | 88.9 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S172 I173 Y179 G180 | S172-A176 VanDerWaalsContact O-CB 3.25Å; S172-A176 WeakPolarHBondContact O-CB 3.34Å; S172-A176 PolarHBondContact O-N 2.74Å; I173-A176 PolarHBondContact O-N 2.97Å; A176-Y179 PolarHBondContact O-N 3.28Å; A176-G180 WeakPolarHBondContact O-CA 3.22Å; A176-G180 PolarHBondContact O-N 3.34Å |
| 177 | S | 87.8 | Confident | 85.4 | Confident | 60 Ų | 60 | 90.5 Ų | 90.5 | 42% | 0.42 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | I173 D174 I175 Y179 G180 I181 | I173-S177 VanDerWaalsContact O-CB 3.23Å; I173-S177 WeakPolarHBondContact O-CB 3.32Å; I173-S177 PolarHBondContact O-N 2.84Å; D174-S177 PolarHBondContact O-N 3.2Å; I175-S177 VanDerWaalsContact C-N 3.33Å; I175-S177 PolarHBondContact O-N 3.22Å; S177-Y179 PolarHBondContact O-N 3.13Å; S177-G180 PolarHBondContact O-N 3.34Å; S177-I181 WeakPolarHBondContact O-CB 3.29Å; S177-I181 WeakPolarHBondContact O-CG1 3.21Å; S177-I181 PolarHBondContact O-N 3.23Å |
| 178 | T | 86.2 | Confident | 84.4 | Confident | 86 Ų | 86 | 87.1 Ų | 87.1 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 176.1 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | D174 I175 G180 I181 V182 | D174-T178 WeakPolarHBondContact O-CB 3.26Å; D174-T178 PolarHBondContact O-N 3.06Å; D174-T178 PolarHBondContact O-OG1 3.43Å; I175-T178 PolarHBondContact O-N 2.73Å; T178-G180 VanDerWaalsContact C-N 3.35Å; T178-G180 PolarHBondContact O-N 2.76Å; T178-I181 PolarHBondContact O-N 3.34Å; T178-V182 WeakPolarHBondContact O-CB 3.25Å; T178-V182 WeakPolarHBondContact O-CG2 2.99Å; T178-V182 PolarHBondContact O-N 3.42Å |
| 179 | Y | 84.6 | Confident | 82.9 | Confident | 163 Ų | 163 | 86.7 Ų | 86.7 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.4 | -39.6 | 174.6 | -76.7 | -62 | 0 | 0 | 0 | 112.3 | I175 A176 S177 V182 M183 | I175-Y179 HydrophobicContact CG2-CD2 3.52Å; I175-Y179 HydrophobicContact CG2-CE2 3.3Å; I175-Y179 WeakPolarHBondContact O-CD2 3.43Å; I175-Y179 PolarHBondContact O-N 2.9Å; A176-Y179 PolarHBondContact O-N 3.28Å; S177-Y179 PolarHBondContact O-N 3.13Å; Y179-V182 PolarHBondContact O-N 2.95Å; Y179-M183 VanDerWaalsContact O-CB 3.24Å; Y179-M183 WeakPolarHBondContact O-CB 3.29Å; Y179-M183 WeakPolarHBondContact O-CG 3.2Å; Y179-M183 PolarHBondContact O-N 3.09Å |
| 180 | G | 79.6 | Confident | 81.4 | Confident | 30 Ų | 30 | 92.6 Ų | 92.6 | 31% | 0.309 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A176 S177 T178 M183 L184 | A176-G180 WeakPolarHBondContact O-CA 3.22Å; A176-G180 PolarHBondContact O-N 3.34Å; S177-G180 PolarHBondContact O-N 3.34Å; T178-G180 VanDerWaalsContact C-N 3.35Å; T178-G180 PolarHBondContact O-N 2.76Å; G180-M183 PolarHBondContact O-N 2.79Å; G180-L184 VanDerWaalsContact O-CB 3.32Å; G180-L184 WeakPolarHBondContact O-CB 3.41Å; G180-L184 VanDerWaalsContact O-CG 3.29Å; G180-L184 WeakPolarHBondContact O-CG 3.34Å; G180-L184 PolarHBondContact O-N 2.76Å |
| 181 | I | 79 | Confident | 79.5 | Confident | 83 Ų | 83 | 93.8 Ų | 93.8 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 173.8 | -71.3 | 166.3 | 0 | 0 | 0 | 109.7 | S177 T178 M183 L184 F185 | S177-I181 WeakPolarHBondContact O-CB 3.29Å; S177-I181 WeakPolarHBondContact O-CG1 3.21Å; S177-I181 PolarHBondContact O-N 3.23Å; T178-I181 PolarHBondContact O-N 3.34Å; I181-M183 PolarHBondContact O-N 3.4Å; I181-L184 PolarHBondContact O-N 3.02Å; I181-F185 HydrophobicContact CG2-CD2 3.48Å; I181-F185 VanDerWaalsContact CG2-CD2 3.48Å; I181-F185 HydrophobicContact CG2-CE2 3.56Å; I181-F185 WeakPolarHBondContact O-CB 3.32Å; I181-F185 VanDerWaalsContact O-CD2 3.23Å; I181-F185 WeakPolarHBondContact O-CD2 3.29Å; I181-F185 PolarHBondContact O-N 3.09Å |
| 182 | V | 79.4 | Confident | 77.4 | Confident | 62 Ų | 62 | 91 Ų | 91 | 38% | 0.376 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | T178 Y179 F185 L186 | T178-V182 WeakPolarHBondContact O-CB 3.25Å; T178-V182 WeakPolarHBondContact O-CG2 2.99Å; T178-V182 PolarHBondContact O-N 3.42Å; Y179-V182 PolarHBondContact O-N 2.95Å; V182-F185 PolarHBondContact O-N 3.47Å; V182-L186 HydrophobicContact CG1-CD1 3.78Å; V182-L186 HydrophobicContact CG1-CG 4.2Å; V182-L186 WeakPolarHBondContact O-CB 3.43Å; V182-L186 WeakPolarHBondContact O-CG 3.4Å; V182-L186 PolarHBondContact O-N 3.28Å |
| 183 | M | 78.3 | Confident | 75.2 | Confident | 110 Ų | 110 | 90.9 Ų | 90.9 | 54% | 0.542 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 177.4 | -75.7 | -63.5 | -68.6 | 0 | 0 | 111.8 | Y179 G180 I181 L186 T187 | Y179-M183 VanDerWaalsContact O-CB 3.24Å; Y179-M183 WeakPolarHBondContact O-CB 3.29Å; Y179-M183 WeakPolarHBondContact O-CG 3.2Å; Y179-M183 PolarHBondContact O-N 3.09Å; G180-M183 PolarHBondContact O-N 2.79Å; I181-M183 PolarHBondContact O-N 3.4Å; M183-L186 PolarHBondContact O-N 3.34Å; M183-T187 VanDerWaalsContact O-CB 3.29Å; M183-T187 WeakPolarHBondContact O-CB 3.22Å; M183-T187 VanDerWaalsContact O-CG2 3.25Å; M183-T187 WeakPolarHBondContact O-CG2 3.49Å; M183-T187 PolarHBondContact O-N 3.47Å; M183-T187 PolarHBondContact O-OG1 2.89Å |
| 184 | L | 76.9 | Confident | 73.3 | Confident | 120 Ų | 120 | 93.6 Ų | 93.6 | 63% | 0.628 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 172.8 | -76.4 | 169.8 | 0 | 0 | 0 | 111 | G180 I181 T187 S188 | G180-L184 VanDerWaalsContact O-CB 3.32Å; G180-L184 WeakPolarHBondContact O-CB 3.41Å; G180-L184 VanDerWaalsContact O-CG 3.29Å; G180-L184 WeakPolarHBondContact O-CG 3.34Å; G180-L184 PolarHBondContact O-N 2.76Å; I181-L184 PolarHBondContact O-N 3.02Å; L184-T187 WeakPolarHBondContact CA-OG1 3.33Å; L184-T187 PolarHBondContact O-OG1 2.67Å; L184-S188 WeakPolarHBondContact O-CA 3.41Å; L184-S188 WeakPolarHBondContact O-CB 3.2Å; L184-S188 PolarHBondContact O-N 2.81Å |
| 185 | F | 76.8 | Confident | 71.5 | Confident | 137 Ų | 137 | 90.6 Ų | 90.6 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 173.4 | -89.9 | -72.6 | 0 | 0 | 0 | 111.8 | I181 V182 C189 | I181-F185 HydrophobicContact CG2-CD2 3.48Å; I181-F185 VanDerWaalsContact CG2-CD2 3.48Å; I181-F185 HydrophobicContact CG2-CE2 3.56Å; I181-F185 WeakPolarHBondContact O-CB 3.32Å; I181-F185 VanDerWaalsContact O-CD2 3.23Å; I181-F185 WeakPolarHBondContact O-CD2 3.29Å; I181-F185 PolarHBondContact O-N 3.09Å; V182-F185 PolarHBondContact O-N 3.47Å; F185-C189 WeakPolarHBondContact O-CA 3.25Å; F185-C189 WeakPolarHBondContact O-CB 3.24Å; F185-C189 PolarHBondContact O-N 3.11Å; F185-C189 PolarHBondContact O-SG 3.28Å |
| 186 | L | 76 | Confident | 70.1 | Confident | 106 Ų | 106 | 91.9 Ų | 91.9 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -71 | -41.7 | 178.7 | -72.8 | 173.5 | 0 | 0 | 0 | 112 | V182 M183 C189 R190 | V182-L186 HydrophobicContact CG1-CD1 3.78Å; V182-L186 HydrophobicContact CG1-CG 4.2Å; V182-L186 WeakPolarHBondContact O-CB 3.43Å; V182-L186 WeakPolarHBondContact O-CG 3.4Å; V182-L186 PolarHBondContact O-N 3.28Å; M183-L186 PolarHBondContact O-N 3.34Å; L186-C189 CarbonylContact O-C 3.6Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.23Å; L186-R190 PolarHBondContact O-N 2.79Å |
| 187 | T | 71.7 | Confident | 68.9 | Low | 67 Ų | 67 | 93.8 Ų | 93.8 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.4 | -38.8 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 112 | M183 L184 R190 S191 | M183-T187 VanDerWaalsContact O-CB 3.29Å; M183-T187 WeakPolarHBondContact O-CB 3.22Å; M183-T187 VanDerWaalsContact O-CG2 3.25Å; M183-T187 WeakPolarHBondContact O-CG2 3.49Å; M183-T187 PolarHBondContact O-N 3.47Å; M183-T187 PolarHBondContact O-OG1 2.89Å; L184-T187 WeakPolarHBondContact CA-OG1 3.33Å; L184-T187 PolarHBondContact O-OG1 2.67Å; T187-R190 CarbonylContact O-C 3.57Å; T187-R190 PolarHBondContact O-N 3.47Å; T187-S191 WeakPolarHBondContact O-CB 3.43Å; T187-S191 PolarHBondContact O-N 2.88Å; T187-S191 PolarHBondContact O-OG 3Å |
| 188 | S | 70.9 | Confident | 67.8 | Low | 61 Ų | 61 | 93.8 Ų | 93.8 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -52.2 | 168.6 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | L184 R190 S191 S192 | L184-S188 WeakPolarHBondContact O-CA 3.41Å; L184-S188 WeakPolarHBondContact O-CB 3.2Å; L184-S188 PolarHBondContact O-N 2.81Å; S188-R190 PolarHBondContact O-N 3.49Å; S188-R190 VanDerWaalsContact O-N 3.13Å; S188-S191 CarbonylContact O-C 3.59Å; S188-S191 PolarHBondContact O-N 2.77Å; S188-S192 WeakPolarHBondContact O-CA 3.41Å; S188-S192 WeakPolarHBondContact O-CB 3.43Å; S188-S192 PolarHBondContact O-N 3.22Å |
| 189 | C | 64.6 | Low | 66.8 | Low | 68 Ų | 68 | 96.3 Ų | 96.3 | 46% | 0.459 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.9 | -27.3 | 172.3 | -74.8 | 0 | 0 | 0 | 0 | 112.6 | F185 L186 C193 | F185-C189 WeakPolarHBondContact O-CA 3.25Å; F185-C189 WeakPolarHBondContact O-CB 3.24Å; F185-C189 PolarHBondContact O-N 3.11Å; F185-C189 PolarHBondContact O-SG 3.28Å; L186-C189 CarbonylContact O-C 3.6Å; C189-C193 VanDerWaalsContact O-CA 3.28Å; C189-C193 WeakPolarHBondContact O-CA 3.45Å; C189-C193 WeakPolarHBondContact O-CB 3.21Å; C189-C193 PolarHBondContact O-N 2.77Å; C189-C193 PolarHBondContact O-SG 2.76Å |
| 190 | R | 60.5 | Low | 66.3 | Low | 202 Ų | 202 | 92.2 Ų | 92.2 | 76% | 0.762 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -77.2 | -31 | 173.6 | -161.6 | 172.3 | -177.8 | 150.3 | 0.8 | 112.7 | L186 T187 S188 | L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.23Å; L186-R190 PolarHBondContact O-N 2.79Å; T187-R190 CarbonylContact O-C 3.57Å; T187-R190 PolarHBondContact O-N 3.47Å; S188-R190 PolarHBondContact O-N 3.49Å; S188-R190 VanDerWaalsContact O-N 3.13Å |
| 191 | S | 53.6 | Low | 66.1 | Low | 70 Ų | 70 | 97.1 Ų | 97.1 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -90.1 | -24.6 | 178.7 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | T187 S188 | T187-S191 WeakPolarHBondContact O-CB 3.43Å; T187-S191 PolarHBondContact O-N 2.88Å; T187-S191 PolarHBondContact O-OG 3Å; S188-S191 CarbonylContact O-C 3.59Å; S188-S191 PolarHBondContact O-N 2.77Å |
| 192 | S | 50.5 | Low | 65.8 | Low | 63 Ų | 63 | 96.2 Ų | 96.2 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -118.7 | -10.1 | -169.9 | -159 | 0 | 0 | 0 | 0 | 112 | S188 Y194 | S188-S192 WeakPolarHBondContact O-CA 3.41Å; S188-S192 WeakPolarHBondContact O-CB 3.43Å; S188-S192 PolarHBondContact O-N 3.22Å; S192-Y194 WeakPolarHBondContact O-CD2 3.3Å; S192-Y194 WeakPolarHBondContact O-CE2 3.28Å; S192-Y194 PolarHBondContact O-N 3.5Å |
| 193 | C | 46.2 | Very low | 65.7 | Low | 64 Ų | 64 | 96 Ų | 96 | 43% | 0.432 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -57.1 | 91.6 | 139 | -85.7 | 0 | 0 | 0 | 0 | 103.3 | C189 C195 | C189-C193 VanDerWaalsContact O-CA 3.28Å; C189-C193 WeakPolarHBondContact O-CA 3.45Å; C189-C193 WeakPolarHBondContact O-CB 3.21Å; C189-C193 PolarHBondContact O-N 2.77Å; C189-C193 PolarHBondContact O-SG 2.76Å; C193-C195 HydrophobicContact CB-CB 4.21Å; C193-C195 WeakPolarHBondContact O-CA 3.13Å; C193-C195 WeakPolarHBondContact O-CB 3.43Å; C193-C195 PolarHBondContact O-N 3.49Å |
| 194 | Y | 50.7 | Low | 65.8 | Low | 171 Ų | 171 | 95.7 Ų | 95.7 | 67% | 0.671 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 0.1 | 32.8 | 130.7 | -62.1 | -78.1 | 0 | 0 | 0 | 116.5 | S192 D198 | S192-Y194 WeakPolarHBondContact O-CD2 3.3Å; S192-Y194 WeakPolarHBondContact O-CE2 3.28Å; S192-Y194 PolarHBondContact O-N 3.5Å; Y194-D198 VanDerWaalsContact C-CB 3.45Å; Y194-D198 WeakPolarHBondContact CB-OD2 3.48Å; Y194-D198 WeakPolarHBondContact CD1-OD2 3.42Å; Y194-D198 WeakPolarHBondContact O-CB 3.25Å |
| 195 | C | 51.1 | Low | 65.8 | Low | 40 Ų | 40 | 94.1 Ų | 94.1 | 27% | 0.27 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -37.4 | -171.1 | -72.5 | 0 | 0 | 0 | 0 | 109 | C193 R199 | C193-C195 HydrophobicContact CB-CB 4.21Å; C193-C195 WeakPolarHBondContact O-CA 3.13Å; C193-C195 WeakPolarHBondContact O-CB 3.43Å; C193-C195 PolarHBondContact O-N 3.49Å; C195-R199 WeakPolarHBondContact O-CB 3.48Å; C195-R199 WeakPolarHBondContact O-CD 3.31Å; C195-R199 WeakPolarHBondContact O-CG 3.37Å; C195-R199 PolarHBondContact O-NE 3.23Å |
| 196 | I | 61.4 | Low | 65.8 | Low | 106 Ų | 106 | 88.6 Ų | 88.6 | 54% | 0.544 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -94.1 | -61.9 | 172.8 | -60.1 | 177.4 | 0 | 0 | 0 | 110.3 | D198 R199 V200 | I196-D198 VanDerWaalsContact C-N 3.31Å; I196-D198 PolarHBondContact O-N 3.37Å; I196-R199 PolarHBondContact O-N 3.41Å; I196-R199 VanDerWaalsContact O-N 3.09Å; I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.21Å |
| 197 | N | 61.6 | Low | 65.9 | Low | 101 Ų | 101 | 85.7 Ų | 85.7 | 54% | 0.54 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | -179.9 | -82.4 | -26.8 | 0 | 0 | 0 | 112.6 | V200 K201 | N197-V200 PolarHBondContact O-N 2.97Å; N197-K201 WeakPolarHBondContact O-CG 3.43Å; N197-K201 PolarHBondContact O-N 3.27Å |
| 198 | D | 64.9 | Low | 66.3 | Low | 59 Ų | 59 | 91 Ų | 91 | 32% | 0.316 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.9 | -31.4 | 174.5 | -88.6 | 19.3 | 0 | 0 | 0 | 113.4 | Y194 I196 V200 K201 C202 | Y194-D198 VanDerWaalsContact C-CB 3.45Å; Y194-D198 WeakPolarHBondContact CB-OD2 3.48Å; Y194-D198 WeakPolarHBondContact CD1-OD2 3.42Å; Y194-D198 WeakPolarHBondContact O-CB 3.25Å; I196-D198 VanDerWaalsContact C-N 3.31Å; I196-D198 PolarHBondContact O-N 3.37Å; D198-V200 VanDerWaalsContact C-N 3.32Å; D198-K201 PolarHBondContact O-N 3.38Å; D198-C202 WeakPolarHBondContact O-CB 3.35Å; D198-C202 PolarHBondContact O-N 3.12Å |
| 199 | R | 65.7 | Low | 66.5 | Low | 140 Ų | 140 | 91.7 Ų | 91.7 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 169.3 | -86.8 | 177.7 | -158.9 | -173.5 | -0.7 | 110.3 | C195 I196 C202 A203 | C195-R199 WeakPolarHBondContact O-CB 3.48Å; C195-R199 WeakPolarHBondContact O-CD 3.31Å; C195-R199 WeakPolarHBondContact O-CG 3.37Å; C195-R199 PolarHBondContact O-NE 3.23Å; I196-R199 PolarHBondContact O-N 3.41Å; I196-R199 VanDerWaalsContact O-N 3.09Å; R199-C202 PolarHBondContact O-N 3.34Å; R199-A203 WeakPolarHBondContact O-CB 3.4Å; R199-A203 PolarHBondContact O-N 3.35Å |
| 200 | V | 73.9 | Confident | 66.9 | Low | 76 Ų | 76 | 94.9 Ų | 94.9 | 46% | 0.461 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | I196 N197 D198 A203 N204 | I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.21Å; N197-V200 PolarHBondContact O-N 2.97Å; D198-V200 VanDerWaalsContact C-N 3.32Å; V200-A203 PolarHBondContact O-N 3.49Å; V200-N204 WeakPolarHBondContact O-CB 3.27Å; V200-N204 PolarHBondContact O-N 3.03Å; V200-N204 PolarHBondContact O-ND2 3.29Å |
| 201 | K | 75.4 | Confident | 67.5 | Low | 134 Ų | 134 | 90.5 Ų | 90.5 | 58% | 0.583 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.8 | -48 | 174.5 | -73.2 | 177 | -177.8 | 178.1 | 0 | 111.9 | N197 D198 N204 D205 | N197-K201 WeakPolarHBondContact O-CG 3.43Å; N197-K201 PolarHBondContact O-N 3.27Å; D198-K201 PolarHBondContact O-N 3.38Å; K201-N204 PolarHBondContact O-N 3.08Å; K201-D205 WeakPolarHBondContact O-CB 3.49Å; K201-D205 PolarHBondContact O-N 3.48Å |
| 202 | C | 72.9 | Confident | 68.6 | Low | 63 Ų | 63 | 91.4 Ų | 91.4 | 43% | 0.426 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 178.9 | -175 | 0 | 0 | 0 | 0 | 111.9 | D198 R199 D205 V206 | D198-C202 WeakPolarHBondContact O-CB 3.35Å; D198-C202 PolarHBondContact O-N 3.12Å; R199-C202 PolarHBondContact O-N 3.34Å; C202-D205 PolarHBondContact O-N 2.98Å; C202-V206 WeakPolarHBondContact O-CB 3.46Å; C202-V206 VanDerWaalsContact O-CG2 3.27Å; C202-V206 WeakPolarHBondContact O-CG2 3.45Å; C202-V206 PolarHBondContact O-N 2.75Å |
| 203 | A | 76.8 | Confident | 69.3 | Low | 59 Ų | 59 | 89.3 Ų | 89.3 | 49% | 0.488 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R199 V200 V206 A207 | R199-A203 WeakPolarHBondContact O-CB 3.4Å; R199-A203 PolarHBondContact O-N 3.35Å; V200-A203 PolarHBondContact O-N 3.49Å; A203-V206 PolarHBondContact O-N 3.29Å; A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 2.92Å |
| 204 | N | 78.9 | Confident | 70.2 | Confident | 103 Ų | 103 | 88.9 Ų | 88.9 | 55% | 0.551 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 173.9 | -80.5 | -29.5 | 0 | 0 | 0 | 112 | V200 K201 A207 R208 | V200-N204 WeakPolarHBondContact O-CB 3.27Å; V200-N204 PolarHBondContact O-N 3.03Å; V200-N204 PolarHBondContact O-ND2 3.29Å; K201-N204 PolarHBondContact O-N 3.08Å; N204-A207 PolarHBondContact O-N 3.35Å; N204-R208 WeakPolarHBondContact O-CB 3.46Å; N204-R208 PolarHBondContact O-N 2.89Å |
| 205 | D | 78.3 | Confident | 70.9 | Confident | 86 Ų | 86 | 87.5 Ų | 87.5 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 176.2 | -84.2 | -10.2 | 0 | 0 | 0 | 112.5 | K201 C202 R208 K209 | K201-D205 WeakPolarHBondContact O-CB 3.49Å; K201-D205 PolarHBondContact O-N 3.48Å; C202-D205 PolarHBondContact O-N 2.98Å; D205-R208 PolarHBondContact O-N 3.43Å; D205-K209 WeakPolarHBondContact O-CB 3.43Å; D205-K209 VanDerWaalsContact O-CG 3.3Å; D205-K209 WeakPolarHBondContact O-CG 2.86Å; D205-K209 PolarHBondContact O-N 3.35Å |
| 206 | V | 76.5 | Confident | 71.3 | Confident | 21 Ų | 21 | 88 Ų | 88 | 13% | 0.127 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 175.7 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | C202 A203 K209 R210 C248 | C202-V206 WeakPolarHBondContact O-CB 3.46Å; C202-V206 VanDerWaalsContact O-CG2 3.27Å; C202-V206 WeakPolarHBondContact O-CG2 3.45Å; C202-V206 PolarHBondContact O-N 2.75Å; A203-V206 PolarHBondContact O-N 3.29Å; V206-K209 PolarHBondContact O-N 2.9Å; V206-R210 HydrophobicContact CG1-CG 4.46Å; V206-R210 WeakPolarHBondContact O-CB 3.42Å; V206-R210 VanDerWaalsContact O-CG 3.32Å; V206-R210 WeakPolarHBondContact O-CG 3.29Å; V206-R210 PolarHBondContact O-N 3.29Å; V206-C248 HydrophobicContact CG2-CB 3.88Å |
| 207 | A | 78.9 | Confident | 71.2 | Confident | 46 Ų | 46 | 87.2 Ų | 87.2 | 38% | 0.38 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A203 N204 K209 R210 L211 | A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 2.92Å; N204-A207 PolarHBondContact O-N 3.35Å; A207-K209 PolarHBondContact O-N 3.25Å; A207-R210 PolarHBondContact O-N 2.71Å; A207-L211 PolarHBondContact O-N 3.44Å |
| 208 | R | 79 | Confident | 70.9 | Confident | 179 Ų | 179 | 90 Ų | 90 | 68% | 0.675 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 176.4 | -168.2 | 177.5 | -175.4 | 177.9 | 2.5 | 112 | N204 D205 L211 L212 | N204-R208 WeakPolarHBondContact O-CB 3.46Å; N204-R208 PolarHBondContact O-N 2.89Å; D205-R208 PolarHBondContact O-N 3.43Å; R208-L211 PolarHBondContact O-N 2.93Å; R208-L212 WeakPolarHBondContact O-CG 3.33Å; R208-L212 PolarHBondContact O-N 2.8Å |
| 209 | K | 75.3 | Confident | 70.5 | Confident | 75 Ų | 75 | 90.7 Ų | 90.7 | 33% | 0.326 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 175.9 | -74 | 173.7 | -175.9 | 171.7 | 0 | 112.1 | D205 V206 A207 L212 C213 L241 | D205-K209 WeakPolarHBondContact O-CB 3.43Å; D205-K209 VanDerWaalsContact O-CG 3.3Å; D205-K209 WeakPolarHBondContact O-CG 2.86Å; D205-K209 PolarHBondContact O-N 3.35Å; V206-K209 PolarHBondContact O-N 2.9Å; A207-K209 PolarHBondContact O-N 3.25Å; K209-L212 PolarHBondContact O-N 3.11Å; K209-C213 PolarHBondContact O-N 2.83Å; K209-L241 HydrophobicContact CB-CD2 4.37Å; K209-L241 HydrophobicContact CG-CD2 4.46Å |
| 210 | R | 72.6 | Confident | 69.9 | Low | 135 Ų | 135 | 85.7 Ų | 85.7 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.4 | -76.4 | 177.2 | 178.5 | -179 | 0.1 | 112 | V206 A207 C213 S214 | V206-R210 HydrophobicContact CG1-CG 4.46Å; V206-R210 WeakPolarHBondContact O-CB 3.42Å; V206-R210 VanDerWaalsContact O-CG 3.32Å; V206-R210 WeakPolarHBondContact O-CG 3.29Å; V206-R210 PolarHBondContact O-N 3.29Å; A207-R210 PolarHBondContact O-N 2.71Å; R210-C213 PolarHBondContact O-N 3.23Å; R210-S214 PolarHBondContact O-N 3.5Å; R210-S214 PolarHBondContact O-OG 3.33Å |
| 211 | L | 74 | Confident | 69.1 | Low | 109 Ų | 109 | 87.4 Ų | 87.4 | 57% | 0.571 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.5 | -40 | 174.2 | -92.2 | 155.2 | 0 | 0 | 0 | 113 | A207 R208 S214 K215 | A207-L211 PolarHBondContact O-N 3.44Å; R208-L211 PolarHBondContact O-N 2.93Å; L211-S214 PolarHBondContact O-OG 3.28Å; L211-K215 WeakPolarHBondContact O-CG 3.47Å; L211-K215 PolarHBondContact O-N 3.2Å; L211-K215 VanDerWaalsContact O-N 3.07Å |
| 212 | L | 76 | Confident | 67.8 | Low | 89 Ų | 89 | 88.4 Ų | 88.4 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 174.9 | -73 | 168.3 | 0 | 0 | 0 | 111.6 | R208 K209 K215 L216 | R208-L212 WeakPolarHBondContact O-CG 3.33Å; R208-L212 PolarHBondContact O-N 2.8Å; K209-L212 PolarHBondContact O-N 3.11Å; L212-K215 PolarHBondContact O-N 2.96Å; L212-L216 WeakPolarHBondContact O-CB 3.28Å; L212-L216 WeakPolarHBondContact O-CG 3.49Å; L212-L216 PolarHBondContact O-N 3.39Å |
| 213 | C | 66.4 | Low | 66.8 | Low | 19 Ų | 19 | 90.1 Ų | 90.1 | 13% | 0.128 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.1 | -80.6 | 0 | 0 | 0 | 0 | 112.4 | K209 R210 L216 I217 | K209-C213 PolarHBondContact O-N 2.83Å; R210-C213 PolarHBondContact O-N 3.23Å; C213-L216 PolarHBondContact O-N 2.89Å; C213-I217 VanDerWaalsContact O-CG1 3.26Å; C213-I217 WeakPolarHBondContact O-CG1 3.32Å; C213-I217 PolarHBondContact O-N 3.5Å |
| 214 | S | 64.6 | Low | 65.7 | Low | 56 Ų | 56 | 94 Ų | 94 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 178.1 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | R210 L211 I217 W218 | R210-S214 PolarHBondContact O-N 3.5Å; R210-S214 PolarHBondContact O-OG 3.33Å; L211-S214 PolarHBondContact O-OG 3.28Å; S214-I217 PolarHBondContact O-N 3.09Å; S214-W218 WeakPolarHBondContact O-CB 3.35Å; S214-W218 PolarHBondContact O-N 3.23Å |
| 215 | K | 65.2 | Low | 64.6 | Low | 141 Ų | 141 | 96.4 Ų | 96.4 | 61% | 0.613 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.9 | -45.9 | 170.5 | -78.1 | -178.5 | 176.1 | -175.2 | 0 | 112 | L211 L212 W218 T219 | L211-K215 WeakPolarHBondContact O-CG 3.47Å; L211-K215 PolarHBondContact O-N 3.2Å; L211-K215 VanDerWaalsContact O-N 3.07Å; L212-K215 PolarHBondContact O-N 2.96Å; K215-W218 PolarHBondContact O-N 3.37Å; K215-T219 WeakPolarHBondContact O-CG2 3.3Å; K215-T219 PolarHBondContact O-N 3.12Å; K215-T219 PolarHBondContact O-OG1 2.93Å |
| 216 | L | 59.4 | Low | 63 | Low | 52 Ų | 52 | 98.6 Ų | 98.6 | 27% | 0.272 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 178.6 | -79.3 | 162.5 | 0 | 0 | 0 | 112.5 | L212 C213 T219 N220 V237 L241 | L212-L216 WeakPolarHBondContact O-CB 3.28Å; L212-L216 WeakPolarHBondContact O-CG 3.49Å; L212-L216 PolarHBondContact O-N 3.39Å; C213-L216 PolarHBondContact O-N 2.89Å; L216-T219 VanDerWaalsContact CA-OG1 3.3Å; L216-T219 WeakPolarHBondContact CA-OG1 3.35Å; L216-T219 PolarHBondContact O-N 2.78Å; L216-T219 PolarHBondContact O-OG1 3.48Å; L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 PolarHBondContact O-N 2.87Å; L216-N220 PolarHBondContact O-ND2 2.98Å; L216-V237 HydrophobicContact CD1-CG1 4.46Å; L216-L241 HydrophobicContact CD1-CD1 4.08Å |
| 217 | I | 59.4 | Low | 61.6 | Low | 89 Ų | 89 | 102 Ų | 102 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 176.9 | -67.8 | 164.5 | 0 | 0 | 0 | 110.1 | C213 S214 N220 Q221 | C213-I217 VanDerWaalsContact O-CG1 3.26Å; C213-I217 WeakPolarHBondContact O-CG1 3.32Å; C213-I217 PolarHBondContact O-N 3.5Å; S214-I217 PolarHBondContact O-N 3.09Å; I217-N220 PolarHBondContact O-N 3.46Å; I217-Q221 PolarHBondContact O-N 2.9Å |
| 218 | W | 54 | Low | 60.5 | Low | 159 Ų | 159 | 104.8 Ų | 104.8 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -55.9 | -53.2 | 172.7 | -104.9 | 72.2 | 0 | 0 | 0 | 110.8 | S214 K215 N220 Q221 W222 | S214-W218 WeakPolarHBondContact O-CB 3.35Å; S214-W218 PolarHBondContact O-N 3.23Å; K215-W218 PolarHBondContact O-N 3.37Å; W218-N220 VanDerWaalsContact C-N 3.28Å; W218-N220 PolarHBondContact O-N 3.46Å; W218-Q221 PolarHBondContact O-N 2.82Å; W218-Q221 VanDerWaalsContact O-N 3.15Å; W218-W222 AromaticContact CE3-CD1 3.72Å; W218-W222 AromaticContact CE3-NE1 3Å; W218-W222 AromaticContact CZ3-CE2 3.79Å; W218-W222 AromaticContact CZ3-CZ2 3.87Å; W218-W222 HydrophobicContact CZ3-CZ2 3.87Å; W218-W222 AromaticContact CZ3-NE1 3.09Å; W218-W222 PolarHBondContact O-N 2.97Å |
| 219 | T | 56.8 | Low | 59.3 | Low | 73 Ų | 73 | 101.3 Ų | 101.3 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -33.7 | -179.9 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | K215 L216 Q223 | K215-T219 WeakPolarHBondContact O-CG2 3.3Å; K215-T219 PolarHBondContact O-N 3.12Å; K215-T219 PolarHBondContact O-OG1 2.93Å; L216-T219 VanDerWaalsContact CA-OG1 3.3Å; L216-T219 WeakPolarHBondContact CA-OG1 3.35Å; L216-T219 PolarHBondContact O-N 2.78Å; L216-T219 PolarHBondContact O-OG1 3.48Å; T219-Q223 WeakPolarHBondContact O-CG 3.36Å; T219-Q223 PolarHBondContact O-N 3.45Å |
| 220 | N | 54.3 | Low | 58.1 | Low | 36 Ų | 36 | 103.3 Ų | 103.3 | 19% | 0.193 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -74.2 | -36.7 | 176.3 | -80.8 | -66.6 | 0 | 0 | 0 | 112.2 | L216 I217 W218 W222 Q223 Q224 | L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 PolarHBondContact O-N 2.87Å; L216-N220 PolarHBondContact O-ND2 2.98Å; I217-N220 PolarHBondContact O-N 3.46Å; W218-N220 VanDerWaalsContact C-N 3.28Å; W218-N220 PolarHBondContact O-N 3.46Å; N220-W222 VanDerWaalsContact C-N 3.34Å; N220-Q223 CarbonylContact O-C 3.59Å; N220-Q223 PolarHBondContact O-N 2.81Å; N220-Q224 WeakPolarHBondContact O-CG 3.46Å; N220-Q224 PolarHBondContact O-N 3.37Å |
| 221 | Q | 56 | Low | 56.9 | Low | 111 Ų | 111 | 103.6 Ų | 103.6 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 172.2 | -83.7 | -178.5 | -27.1 | 0 | 0 | 111.3 | I217 W218 Q223 Q224 Q225 | I217-Q221 PolarHBondContact O-N 2.9Å; W218-Q221 PolarHBondContact O-N 2.82Å; W218-Q221 VanDerWaalsContact O-N 3.15Å; Q221-Q223 VanDerWaalsContact C-N 3.34Å; Q221-Q223 PolarHBondContact O-N 3.18Å; Q221-Q224 PolarHBondContact O-N 3.46Å; Q221-Q225 PolarHBondContact O-N 3.14Å |
| 222 | W | 49.6 | Very low | 55.4 | Low | 155 Ų | 155 | 107.6 Ų | 107.6 | 59% | 0.587 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.6 | -34.4 | 172.1 | -75 | 104.4 | 0 | 0 | 0 | 113 | W218 N220 | W218-W222 AromaticContact CE3-CD1 3.72Å; W218-W222 AromaticContact CE3-NE1 3Å; W218-W222 AromaticContact CZ3-CE2 3.79Å; W218-W222 AromaticContact CZ3-CZ2 3.87Å; W218-W222 HydrophobicContact CZ3-CZ2 3.87Å; W218-W222 AromaticContact CZ3-NE1 3.09Å; W218-W222 PolarHBondContact O-N 2.97Å; N220-W222 VanDerWaalsContact C-N 3.34Å |
| 223 | Q | 51.8 | Low | 53.9 | Low | 99 Ų | 99 | 106.6 Ų | 106.6 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.8 | -31.6 | 173.7 | -80.2 | -170.3 | -24.5 | 0 | 0 | 113.1 | T219 N220 Q221 Q225 R226 | T219-Q223 WeakPolarHBondContact O-CG 3.36Å; T219-Q223 PolarHBondContact O-N 3.45Å; N220-Q223 CarbonylContact O-C 3.59Å; N220-Q223 PolarHBondContact O-N 2.81Å; Q221-Q223 VanDerWaalsContact C-N 3.34Å; Q221-Q223 PolarHBondContact O-N 3.18Å; Q223-Q225 VanDerWaalsContact C-N 3.27Å; Q223-Q225 PolarHBondContact O-N 3.01Å; Q223-R226 WeakPolarHBondContact O-CB 3.3Å; Q223-R226 PolarHBondContact O-N 3.45Å; Q223-R226 VanDerWaalsContact O-N 3.17Å |
| 224 | Q | 52.5 | Low | 52.9 | Low | 140 Ų | 140 | 115.1 Ų | 115.1 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.2 | -24.3 | 177.4 | -77.5 | -172.5 | 3.2 | 0 | 0 | 113.2 | N220 Q221 R226 R231 | N220-Q224 WeakPolarHBondContact O-CG 3.46Å; N220-Q224 PolarHBondContact O-N 3.37Å; Q221-Q224 PolarHBondContact O-N 3.46Å; Q224-R226 VanDerWaalsContact C-N 3.26Å; Q224-R226 PolarHBondContact O-N 3.26Å; Q224-R231 PolarHBondContact O-NH1 3.25Å |
| 225 | Q | 55.7 | Low | 52.1 | Low | 155 Ų | 155 | 119.5 Ų | 119.5 | 72% | 0.724 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -0.8 | 171.7 | -67.2 | -172 | 5.9 | 0 | 0 | 113.9 | Q221 Q223 | Q221-Q225 PolarHBondContact O-N 3.14Å; Q223-Q225 VanDerWaalsContact C-N 3.27Å; Q223-Q225 PolarHBondContact O-N 3.01Å |
| 226 | R | 46.2 | Very low | 51.4 | Low | 131 Ų | 131 | 122.2 Ų | 122.2 | 49% | 0.494 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -79.5 | 143.1 | 172.1 | -71.1 | -172 | -174.7 | -177 | -0.7 | 111.6 | Q223 Q224 R231 | Q223-R226 WeakPolarHBondContact O-CB 3.3Å; Q223-R226 PolarHBondContact O-N 3.45Å; Q223-R226 VanDerWaalsContact O-N 3.17Å; Q224-R226 VanDerWaalsContact C-N 3.26Å; Q224-R226 PolarHBondContact O-N 3.26Å; R226-R231 PolarHBondContact O-NH2 3.39Å |
| 227 | P | 47.2 | Very low | 50.9 | Low | 93 Ų | 93 | 124 Ų | 124 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | trans | -52.2 | 147.1 | 172.8 | -21 | 29.4 | 0 | 0 | 0 | 112.2 | S229 L230 | P227-S229 PolarHBondContact O-N 2.88Å; P227-L230 PolarHBondContact O-N 3.04Å | ||
| 228 | S | 55.2 | Low | 50.2 | Low | 104 Ų | 104 | 122.5 Ų | 122.5 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -57.8 | -11.1 | -170.6 | -5.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 229 | S | 52.3 | Low | 50 | Low | 107 Ų | 107 | 123.4 Ų | 123.4 | 75% | 0.748 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -85 | 2 | -176.8 | 52.7 | 0 | 0 | 0 | 0 | 115.3 | P227 | P227-S229 PolarHBondContact O-N 2.88Š|
| 230 | L | 50.9 | Low | 49.7 | Very low | 117 Ų | 117 | 122 Ų | 122 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -128.9 | 17.8 | -172.5 | -107.7 | 131.2 | 0 | 0 | 0 | 115 | P227 E232 | P227-L230 PolarHBondContact O-N 3.04Å; L230-E232 PolarHBondContact O-N 3.13Å |
| 231 | R | 47.2 | Very low | 49.5 | Very low | 141 Ų | 141 | 121.9 Ų | 121.9 | 53% | 0.532 | 62% | 0.616 | S | S | . | * | trans | -101.2 | 72.5 | -175 | -75.6 | -168.9 | -97.9 | -129.3 | -6.8 | 112.9 | Q224 R226 | Q224-R231 PolarHBondContact O-NH1 3.25Å; R226-R231 PolarHBondContact O-NH2 3.39Å | ||
| 232 | E | 43.4 | Very low | 49.3 | Very low | 192 Ų | 192 | 122.6 Ų | 122.6 | 90% | 0.897 | 62% | 0.619 | S | S | * | * | trans | -114.9 | 125.8 | 162 | -82 | -172.8 | 162.4 | 0 | 0 | 111.3 | L230 | L230-E232 PolarHBondContact O-N 3.13Š| ||
| 233 | G | 44.9 | Very low | 49.5 | Very low | 69 Ų | 69 | 122.7 Ų | 122.7 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 90.6 | 104.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 234 | K | 45.1 | Very low | 49.4 | Very low | 197 Ų | 197 | 120.7 Ų | 120.7 | 86% | 0.857 | 62% | 0.618 | S | S | * | * | trans | 140 | 77.2 | 137.1 | -75.6 | 171.6 | -178.6 | 176.9 | 0 | 113.2 | ||||
| 235 | L | 46.6 | Very low | 49.4 | Very low | 148 Ų | 148 | 116 Ų | 116 | 78% | 0.775 | 60% | 0.597 | S | S | * | * | trans | -114.1 | 18 | 174.8 | -124.5 | 119.1 | 0 | 0 | 0 | 115.2 | ||||
| 236 | K | 50.4 | Low | 49.2 | Very low | 199 Ų | 199 | 118.9 Ų | 118.9 | 87% | 0.865 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -89.6 | -12.8 | 179.3 | -79.6 | -175.8 | 175.9 | 178.1 | 0 | 115.2 | ||
| 237 | V | 48.6 | Very low | 49.5 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -84 | -27.4 | -172.1 | -177.7 | 0 | 0 | 0 | 0 | 113.2 | L216 L241 | L216-V237 HydrophobicContact CD1-CG1 4.46Å; V237-L241 HydrophobicContact CG1-CD1 4.13Å |
| 238 | L | 46.5 | Very low | 49.6 | Very low | 56 Ų | 56 | 116.8 Ų | 116.8 | 29% | 0.293 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.9 | -32.8 | -174.4 | -81.9 | 158.2 | 0 | 0 | 0 | 114.2 | Q242 | L238-Q242 PolarHBondContact O-N 2.95Å |
| 239 | Y | 48.4 | Very low | 49.5 | Very low | 179 Ų | 179 | 116 Ų | 116 | 70% | 0.702 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.4 | -33 | -173.8 | -137.1 | -93.9 | 0 | 0 | 0 | 113 | ||
| 240 | G | 51.6 | Low | 49.4 | Very low | 43 Ų | 43 | 114.4 Ų | 114.4 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.3 | -38 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | T244 | G240-T244 PolarHBondContact O-N 2.87Å; G240-T244 PolarHBondContact O-OG1 3.49Å |
| 241 | L | 49.6 | Very low | 49.5 | Very low | 33 Ų | 33 | 116 Ų | 116 | 17% | 0.173 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -67.6 | -39.6 | 178.9 | -89.4 | 148.2 | 0 | 0 | 0 | 112.3 | K209 L216 V237 T244 I245 | K209-L241 HydrophobicContact CB-CD2 4.37Å; K209-L241 HydrophobicContact CG-CD2 4.46Å; L216-L241 HydrophobicContact CD1-CD1 4.08Å; V237-L241 HydrophobicContact CG1-CD1 4.13Å; L241-T244 PolarHBondContact O-N 3.4Å; L241-I245 WeakPolarHBondContact O-CD1 3.39Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.25Å; L241-I245 PolarHBondContact O-N 3.27Å; L241-I245 VanDerWaalsContact O-N 3.1Å |
| 242 | Q | 51.3 | Low | 49.3 | Very low | 126 Ų | 126 | 114.9 Ų | 114.9 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.9 | -41.6 | 177.4 | -81.4 | -177.9 | -21.5 | 0 | 0 | 113.4 | L238 T244 I245 R246 | L238-Q242 PolarHBondContact O-N 2.95Å; Q242-T244 VanDerWaalsContact C-N 3.31Å; Q242-T244 PolarHBondContact O-N 2.85Å; Q242-I245 PolarHBondContact O-N 3.23Å; Q242-R246 PolarHBondContact O-N 2.87Å; Q242-R246 VanDerWaalsContact O-N 3.14Å |
| 243 | K | 53.8 | Low | 49.4 | Very low | 158 Ų | 158 | 109.1 Ų | 109.1 | 69% | 0.687 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -40.1 | 176 | -94.2 | -176.6 | 174.6 | 179.7 | 0 | 112.3 | Y247 | K243-Y247 PolarHBondContact O-N 2.74Å |
| 244 | T | 50.7 | Low | 49.5 | Very low | 56 Ų | 56 | 110.7 Ų | 110.7 | 34% | 0.344 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -38.9 | -179.1 | -37.9 | 0 | 0 | 0 | 0 | 111.6 | G240 L241 Q242 Y247 C248 | G240-T244 PolarHBondContact O-N 2.87Å; G240-T244 PolarHBondContact O-OG1 3.49Å; L241-T244 PolarHBondContact O-N 3.4Å; Q242-T244 VanDerWaalsContact C-N 3.31Å; Q242-T244 PolarHBondContact O-N 2.85Å; T244-Y247 PolarHBondContact O-N 2.95Å; T244-C248 PolarHBondContact O-N 2.88Å; T244-C248 PolarHBondContact O-SG 2.73Å |
| 245 | I | 51 | Low | 49.3 | Very low | 41 Ų | 41 | 107.5 Ų | 107.5 | 21% | 0.21 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -66 | -41.4 | 177.7 | -69 | 165.7 | 0 | 0 | 0 | 111.4 | L241 Q242 Y247 C248 I249 | L241-I245 WeakPolarHBondContact O-CD1 3.39Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.25Å; L241-I245 PolarHBondContact O-N 3.27Å; L241-I245 VanDerWaalsContact O-N 3.1Å; Q242-I245 PolarHBondContact O-N 3.23Å; I245-Y247 VanDerWaalsContact C-N 3.35Å; I245-Y247 PolarHBondContact O-N 2.64Å; I245-C248 PolarHBondContact O-N 3.26Å; I245-I249 HydrophobicContact CG2-CD1 3.53Å; I245-I249 HydrophobicContact CG2-CG1 4.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.46Å; I245-I249 PolarHBondContact O-N 3.1Å |
| 246 | R | 53.4 | Low | 49.1 | Very low | 217 Ų | 217 | 104 Ų | 104 | 82% | 0.819 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.2 | -38.2 | 178.9 | -130.4 | -178.1 | -124.1 | -179.5 | 1.6 | 112.6 | Q242 G250 | Q242-R246 PolarHBondContact O-N 2.87Å; Q242-R246 VanDerWaalsContact O-N 3.14Å; R246-G250 PolarHBondContact O-N 2.9Å |
| 247 | Y | 51.6 | Low | 48.7 | Very low | 151 Ų | 151 | 103.7 Ų | 103.7 | 59% | 0.592 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.1 | -35.9 | 176.4 | -175 | -102.4 | 0 | 0 | 0 | 112.9 | K243 T244 I245 R251 | K243-Y247 PolarHBondContact O-N 2.74Å; T244-Y247 PolarHBondContact O-N 2.95Å; I245-Y247 VanDerWaalsContact C-N 3.35Å; I245-Y247 PolarHBondContact O-N 2.64Å; Y247-R251 PolarHBondContact OH-NH2 2.7Å |
| 248 | C | 48.8 | Very low | 48.4 | Very low | 29 Ų | 29 | 105.8 Ų | 105.8 | 20% | 0.196 | 57% | 0.566 | C | S | . | * | H | α-helix | trans | -77.2 | -35.6 | 178.5 | -66.2 | 0 | 0 | 0 | 0 | 113.1 | V206 T244 I245 R251 | V206-C248 HydrophobicContact CG2-CB 3.88Å; T244-C248 PolarHBondContact O-N 2.88Å; T244-C248 PolarHBondContact O-SG 2.73Å; I245-C248 PolarHBondContact O-N 3.26Å; C248-R251 PolarHBondContact O-N 3.07Å |
| 249 | I | 53 | Low | 48.5 | Very low | 87 Ų | 87 | 108.3 Ų | 108.3 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71.5 | -36.1 | 179.8 | -66.9 | 171 | 0 | 0 | 0 | 111.7 | I245 R251 L252 | I245-I249 HydrophobicContact CG2-CD1 3.53Å; I245-I249 HydrophobicContact CG2-CG1 4.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.46Å; I245-I249 PolarHBondContact O-N 3.1Å; I249-R251 PolarHBondContact O-N 3.38Å; I249-R251 VanDerWaalsContact O-N 3.07Å; I249-L252 PolarHBondContact O-N 3.39Å |
| 250 | G | 50.7 | Low | 48.6 | Very low | 73 Ų | 73 | 109 Ų | 109 | 75% | 0.753 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -6.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R246 | R246-G250 PolarHBondContact O-N 2.9Š|
| 251 | R | 53.2 | Low | 48.7 | Very low | 152 Ų | 152 | 113.2 Ų | 113.2 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -1.5 | 177.6 | -70.4 | -171.1 | -179 | -149 | -2.3 | 114.2 | Y247 C248 I249 | Y247-R251 PolarHBondContact OH-NH2 2.7Å; C248-R251 PolarHBondContact O-N 3.07Å; I249-R251 PolarHBondContact O-N 3.38Å; I249-R251 VanDerWaalsContact O-N 3.07Å |
| 252 | L | 43.4 | Very low | 49 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 61% | 0.613 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -93.1 | 125.2 | 177.6 | -80.2 | 156.7 | 0 | 0 | 0 | 109.4 | I249 | I249-L252 PolarHBondContact O-N 3.39Š|
| 253 | P | 44.1 | Very low | 49.2 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 46% | 0.455 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 147.6 | 174.5 | 30.1 | -33.6 | 0 | 0 | 0 | 109.9 | F270 | P253-F270 HydrophobicContact CB-CE1 4.3Å; P253-F270 HydrophobicContact CB-CZ 4.38Å; P253-F270 HydrophobicContact CG-CE1 3.9Å; P253-F270 HydrophobicContact CG-CZ 4Å |
| 254 | P | 47.7 | Very low | 49.5 | Very low | 102 Ų | 102 | 115.1 Ų | 115.1 | 66% | 0.662 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 138.8 | 174.5 | 25.7 | -29.1 | 0 | 0 | 0 | 110 | G256 | P254-G256 PolarHBondContact O-N 3.3Š|
| 255 | S | 41 | Very low | 50 | Low | 131 Ų | 131 | 115.1 Ų | 115.1 | 92% | 0.916 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 114.3 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 110 | ||
| 256 | G | 43 | Very low | 50.3 | Low | 75 Ų | 75 | 118.7 Ų | 118.7 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.4 | 7.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | P254 | P254-G256 PolarHBondContact O-N 3.3Š|
| 257 | F | 40.5 | Very low | 50.5 | Low | 192 Ų | 192 | 111.1 Ų | 111.1 | 84% | 0.842 | 63% | 0.634 | S | S | * | * | trans | -111.7 | 126.5 | -179.4 | -123.5 | -98.1 | 0 | 0 | 0 | 112.3 | ||||
| 258 | V | 43.7 | Very low | 51 | Low | 134 Ų | 134 | 105.4 Ų | 105.4 | 81% | 0.812 | 62% | 0.622 | S | S | * | * | trans | -79.7 | 118.1 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | Q260 | V258-Q260 PolarHBondContact O-N 3.04Š| ||
| 259 | D | 48.8 | Very low | 51.1 | Low | 108 Ų | 108 | 114 Ų | 114 | 58% | 0.578 | 65% | 0.65 | S | S | * | * | trans | -69.4 | 115.5 | 178.9 | -77.3 | -30.7 | 0 | 0 | 0 | 110.2 | V261 | D259-V261 PolarHBondContact O-N 2.92Š| ||
| 260 | Q | 49.5 | Very low | 50.8 | Low | 195 Ų | 195 | 113.5 Ų | 113.5 | 91% | 0.911 | 65% | 0.645 | S | S | * | * | trans | -71.4 | 121.7 | 160.1 | -87.6 | 179.6 | -6.3 | 0 | 0 | 108.3 | V258 D262 | V258-Q260 PolarHBondContact O-N 3.04Å; Q260-D262 PolarHBondContact O-N 3.41Å; Q260-D262 VanDerWaalsContact O-N 3.09Å | ||
| 261 | V | 54.7 | Low | 50.6 | Low | 131 Ų | 131 | 114.4 Ų | 114.4 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | trans | -73.5 | 99.6 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | D259 I263 | D259-V261 PolarHBondContact O-N 2.92Å; V261-I263 PolarHBondContact O-N 3.45Å | ||
| 262 | D | 55.2 | Low | 50.1 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 46% | 0.46 | 64% | 0.638 | S | S | . | * | trans | -75 | 112.6 | 168.5 | -176 | 0.2 | 0 | 0 | 0 | 109.2 | Q260 S264 N265 | Q260-D262 PolarHBondContact O-N 3.41Å; Q260-D262 VanDerWaalsContact O-N 3.09Å; D262-S264 PolarHBondContact O-N 3.4Å; D262-S264 VanDerWaalsContact O-N 3.09Å; D262-S264 WeakPolarHBondContact OD1-CB 3.33Å; D262-S264 PolarHBondContact OD1-N 2.91Å; D262-S264 PolarHBondContact OD1-OG 2.95Å; D262-N265 CarbonylContact O-C 3.36Å; D262-N265 PolarHBondContact O-N 3.34Å | ||
| 263 | I | 54.9 | Low | 50.2 | Low | 166 Ų | 166 | 120.4 Ų | 120.4 | 85% | 0.851 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -22 | 179.3 | -61 | 168.7 | 0 | 0 | 0 | 111.1 | V261 | V261-I263 PolarHBondContact O-N 3.45Š|
| 264 | S | 60.9 | Low | 50.5 | Low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -15.9 | -180 | -28.2 | 0 | 0 | 0 | 0 | 113.3 | D262 | D262-S264 PolarHBondContact O-N 3.4Å; D262-S264 VanDerWaalsContact O-N 3.09Å; D262-S264 WeakPolarHBondContact OD1-CB 3.33Å; D262-S264 PolarHBondContact OD1-N 2.91Å; D262-S264 PolarHBondContact OD1-OG 2.95Å |
| 265 | N | 61.1 | Low | 50.4 | Low | 55 Ų | 55 | 129.2 Ų | 129.2 | 29% | 0.294 | 67% | 0.665 | S | S | . | * | trans | -141.5 | 85.8 | -178.3 | -179.8 | 17.1 | 0 | 0 | 0 | 110.6 | D262 D267 G268 | D262-N265 CarbonylContact O-C 3.36Å; D262-N265 PolarHBondContact O-N 3.34Å; N265-D267 PolarHBondContact O-N 3.48Å; N265-D267 PolarHBondContact OD1-N 3.44Å; N265-G268 PolarHBondContact ND2-O 2.91Å; N265-G268 PolarHBondContact O-N 3.05Å; N265-G268 VanDerWaalsContact O-N 3.08Å | ||
| 266 | P | 56.1 | Low | 50.3 | Low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -14.4 | -179.3 | 27 | -34.9 | 0 | 0 | 0 | 113.4 | ||
| 267 | D | 59.6 | Low | 50.6 | Low | 57 Ų | 57 | 137 Ų | 137 | 31% | 0.305 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.2 | -5.4 | 179.8 | -63.3 | -33.7 | 0 | 0 | 0 | 112.9 | N265 F270 T271 R274 | N265-D267 PolarHBondContact O-N 3.48Å; N265-D267 PolarHBondContact OD1-N 3.44Å; D267-F270 PolarHBondContact O-N 2.96Å; D267-T271 HydrophobicContact CB-CG2 4.24Å; D267-R274 IonicContact OD2-NH2 2.69Å; D267-R274 PolarHBondContact OD2-NH2 3.01Å |
| 268 | G | 61.3 | Low | 50.9 | Low | 32 Ų | 32 | 131.2 Ų | 131.2 | 33% | 0.33 | 65% | 0.652 | S | S | . | * | G | 310 helix | trans | 53.4 | -152.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | N265 F270 | N265-G268 PolarHBondContact ND2-O 2.91Å; N265-G268 PolarHBondContact O-N 3.05Å; N265-G268 VanDerWaalsContact O-N 3.08Å; G268-F270 PolarHBondContact O-N 3.07Å |
| 269 | R | 49.9 | Very low | 51.2 | Low | 209 Ų | 209 | 131 Ų | 131 | 79% | 0.789 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -69.6 | -4.5 | 176.2 | -170.3 | 176.4 | 179.7 | -168.2 | 2.5 | 113.3 | T271 | R269-T271 VanDerWaalsContact C-N 3.27Å; R269-T271 PolarHBondContact O-N 3.5Å |
| 270 | F | 47.7 | Very low | 51 | Low | 77 Ų | 77 | 132.9 Ų | 132.9 | 34% | 0.338 | 65% | 0.646 | S | S | . | * | G | 310 helix | trans | -91.2 | 27.9 | -176.8 | -61.4 | -73.1 | 0 | 0 | 0 | 113.5 | P253 D267 G268 F272 | P253-F270 HydrophobicContact CB-CE1 4.3Å; P253-F270 HydrophobicContact CB-CZ 4.38Å; P253-F270 HydrophobicContact CG-CE1 3.9Å; P253-F270 HydrophobicContact CG-CZ 4Å; D267-F270 PolarHBondContact O-N 2.96Å; G268-F270 PolarHBondContact O-N 3.07Å; F270-F272 PolarHBondContact O-N 2.93Å |
| 271 | T | 47.2 | Very low | 50.8 | Low | 91 Ų | 91 | 133.8 Ų | 133.8 | 56% | 0.558 | 64% | 0.643 | S | S | * | * | trans | -63.4 | 106.4 | 177.8 | 49.9 | 0 | 0 | 0 | 0 | 111 | D267 R269 | D267-T271 HydrophobicContact CB-CG2 4.24Å; R269-T271 VanDerWaalsContact C-N 3.27Å; R269-T271 PolarHBondContact O-N 3.5Å | ||
| 272 | F | 42.4 | Very low | 50.1 | Low | 142 Ų | 142 | 135.3 Ų | 135.3 | 62% | 0.623 | 65% | 0.645 | S | S | * | * | trans | -66.8 | 132.7 | 157 | -58.7 | -80.6 | 0 | 0 | 0 | 107.6 | F270 R274 | F270-F272 PolarHBondContact O-N 2.93Å; F272-R274 PolarHBondContact O-N 3.42Å | ||
| 273 | R | 44.8 | Very low | 49.4 | Very low | 253 Ų | 253 | 137 Ų | 137 | 96% | 0.955 | 66% | 0.658 | S | S | * | * | trans | -49.8 | 111.5 | 169.5 | -105.3 | -177 | 175.6 | 178.4 | -0.6 | 108.4 | ||||
| 274 | R | 49.6 | Very low | 48.6 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 51% | 0.506 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 139.3 | 175.5 | -68.5 | -176.1 | -177.7 | -175.8 | 0.8 | 108.9 | D267 F272 Y280 | D267-R274 IonicContact OD2-NH2 2.69Å; D267-R274 PolarHBondContact OD2-NH2 3.01Å; F272-R274 PolarHBondContact O-N 3.42Å; R274-Y280 VanDerWaalsContact NH2-CD2 3.29Å |
| 275 | R | 46.5 | Very low | 47.6 | Very low | 224 Ų | 224 | 142 Ų | 142 | 85% | 0.845 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 140.5 | 164 | -77.1 | -173.9 | 174.9 | -173.5 | -0.9 | 107.8 | N277 C278 | R275-N277 PolarHBondContact O-N 3.27Å; R275-C278 PolarHBondContact O-N 2.92Å |
| 276 | K | 38 | Very low | 46.7 | Very low | 208 Ų | 208 | 145 Ų | 145 | 90% | 0.904 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.4 | 127.8 | 168.6 | -105.8 | 179.4 | 171 | -178.2 | 0 | 107.6 | ||
| 277 | N | 49.6 | Very low | 46.1 | Very low | 161 Ų | 161 | 147 Ų | 147 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.9 | 19.4 | -179 | -53.3 | -4.1 | 0 | 0 | 0 | 118.5 | R275 | R275-N277 PolarHBondContact O-N 3.27Š|
| 278 | C | 47.2 | Very low | 45.3 | Very low | 71 Ų | 71 | 153.9 Ų | 153.9 | 48% | 0.48 | 71% | 0.712 | S | S | . | * | trans | -93.9 | 99.5 | 172.1 | -156.3 | 0 | 0 | 0 | 0 | 111.8 | R275 | R275-C278 PolarHBondContact O-N 2.92Š| ||
| 279 | N | 49.8 | Very low | 44.5 | Very low | 129 Ų | 129 | 161.2 Ų | 161.2 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | trans | -93 | 125.8 | 174.2 | -77.1 | -19.3 | 0 | 0 | 0 | 110.7 | Y281 | N279-Y281 PolarHBondContact O-N 3.46Š| ||
| 280 | Y | 45.9 | Very low | 43.9 | Very low | 147 Ų | 147 | 161.4 Ų | 161.4 | 58% | 0.576 | 75% | 0.745 | S | S | * | * | trans | -78.1 | 117.2 | 162.1 | -77.8 | -109 | 0 | 0 | 0 | 106.8 | R274 L282 | R274-Y280 VanDerWaalsContact NH2-CD2 3.29Å; Y280-L282 PolarHBondContact O-N 2.92Å; Y280-L282 VanDerWaalsContact O-N 3.11Å | ||
| 281 | Y | 43.6 | Very low | 43.6 | Very low | 215 Ų | 215 | 166.7 Ų | 166.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -70.1 | 106.7 | 166.3 | -67.6 | -77.7 | 0 | 0 | 0 | 107.4 | N279 V283 | N279-Y281 PolarHBondContact O-N 3.46Å; Y281-V283 PolarHBondContact O-N 3.05Å | ||
| 282 | L | 41.6 | Very low | 43.5 | Very low | 162 Ų | 162 | 170.5 Ų | 170.5 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -55.2 | 123.3 | 164.3 | -84.3 | 165.8 | 0 | 0 | 0 | 107.8 | Y280 R284 | Y280-L282 PolarHBondContact O-N 2.92Å; Y280-L282 VanDerWaalsContact O-N 3.11Å; L282-R284 PolarHBondContact O-N 3.23Å | ||
| 283 | V | 40.7 | Very low | 43.5 | Very low | 121 Ų | 121 | 171.9 Ų | 171.9 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | -60.6 | 112.5 | 171.3 | 176.8 | 0 | 0 | 0 | 0 | 107.2 | Y281 I285 | Y281-V283 PolarHBondContact O-N 3.05Å; V283-I285 HydrophobicContact CG1-CG1 4.48Å; V283-I285 PolarHBondContact O-N 3.36Å | ||
| 284 | R | 36.5 | Very low | 43.4 | Very low | 239 Ų | 239 | 167.4 Ų | 167.4 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -69.8 | 96.4 | 170.1 | -73.7 | -173.5 | 178.8 | -167.6 | 0.1 | 108.1 | L282 | L282-R284 PolarHBondContact O-N 3.23Š| ||
| 285 | I | 41.5 | Very low | 43.1 | Very low | 137 Ų | 137 | 169.4 Ų | 169.4 | 70% | 0.703 | 82% | 0.822 | S | S | * | * | trans | -70.7 | 125.1 | 163.4 | -59.6 | 169.4 | 0 | 0 | 0 | 106.4 | V283 L287 | V283-I285 HydrophobicContact CG1-CG1 4.48Å; V283-I285 PolarHBondContact O-N 3.36Å; I285-L287 PolarHBondContact O-N 2.89Å | ||
| 286 | P | 41.3 | Very low | 42.9 | Very low | 118 Ų | 118 | 166 Ų | 166 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | trans | -68.6 | 106.8 | 171.4 | -3.7 | 18.3 | 0 | 0 | 0 | 107.7 | K288 | P286-K288 PolarHBondContact O-N 2.88Å; P286-K288 VanDerWaalsContact O-N 3.12Å | ||
| 287 | L | 43.2 | Very low | 43.2 | Very low | 159 Ų | 159 | 163.2 Ų | 163.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -64 | 111.1 | 164.3 | -72.8 | 170.8 | 0 | 0 | 0 | 106.9 | I285 Q289 | I285-L287 PolarHBondContact O-N 2.89Å; L287-Q289 PolarHBondContact O-N 3.12Å | ||
| 288 | K | 43.7 | Very low | 42.7 | Very low | 202 Ų | 202 | 163.4 Ų | 163.4 | 88% | 0.878 | 81% | 0.811 | S | S | * | * | trans | -55.6 | 107.5 | 161.4 | -82.7 | -177.8 | 173.1 | -178.7 | 0 | 107.1 | P286 K290 | P286-K288 PolarHBondContact O-N 2.88Å; P286-K288 VanDerWaalsContact O-N 3.12Å; K288-K290 PolarHBondContact O-N 3.24Å; K288-K290 VanDerWaalsContact O-N 3.13Å | ||
| 289 | Q | 44.2 | Very low | 42.4 | Very low | 187 Ų | 187 | 170.5 Ų | 170.5 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -62.7 | 112.6 | 162.2 | -79.7 | -178.1 | -37.2 | 0 | 0 | 106.8 | L287 S291 | L287-Q289 PolarHBondContact O-N 3.12Å; Q289-S291 PolarHBondContact O-N 2.96Å | ||
| 290 | K | 36.4 | Very low | 41.8 | Very low | 213 Ų | 213 | 173.9 Ų | 173.9 | 93% | 0.926 | 85% | 0.849 | S | S | * | * | trans | -70.3 | 112.2 | 159.6 | -81.5 | 179.2 | 171.2 | -178.4 | 0 | 106.5 | K288 | K288-K290 PolarHBondContact O-N 3.24Å; K288-K290 VanDerWaalsContact O-N 3.13Å | ||
| 291 | S | 42.9 | Very low | 41.4 | Very low | 187 Ų | 187 | 176.4 Ų | 176.4 | 100% | 1.308 | 87% | 0.874 | S | S | * | * | trans | -110.7 | 0 | 150.9 | 61.4 | 0 | 0 | 0 | 0 | 107.2 | Q289 | Q289-S291 PolarHBondContact O-N 2.96Š|
Retrieved 291 of 291 residues in 53.4 ms
(Link to these results)