| 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 | 54 | Low | 68.7 | Low | 191 Ų | 191 | 111.3 Ų | 111.3 | 94% | 0.941 | 62% | 0.623 | S | S | * | * | 0 | 101.9 | 0 | -83.2 | -82.7 | -157.4 | 0 | 0 | 110 | |||||
| 2 | A | 59.7 | Low | 69.5 | Low | 60 Ų | 60 | 121 Ų | 121 | 50% | 0.496 | 64% | 0.643 | S | S | . | * | trans | -60.1 | 146.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A4 F5 | A2-A4 PolarHBondContact O-N 3.27Å; A2-F5 HydrophobicContact CB-CD2 4.19Å; A2-F5 PolarHBondContact O-N 3.48Å | ||
| 3 | A | 69.5 | Low | 70.5 | Confident | 72 Ų | 72 | 122.7 Ų | 122.7 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -55.6 | -24.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R6 K7 | A3-R6 PolarHBondContact O-N 3.36Å; A3-K7 PolarHBondContact O-N 3.48Å |
| 4 | A | 68.9 | Low | 71.3 | Confident | 68 Ų | 68 | 129.8 Ų | 129.8 | 56% | 0.562 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.5 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2 R6 K7 A8 | A2-A4 PolarHBondContact O-N 3.27Å; A4-R6 PolarHBondContact O-N 3.27Å; A4-K7 PolarHBondContact O-N 3.37Å; A4-A8 PolarHBondContact O-N 3.4Å; A4-A8 VanDerWaalsContact O-N 3.09Å |
| 5 | F | 70.1 | Confident | 72.3 | Confident | 141 Ų | 141 | 131.1 Ų | 131.1 | 62% | 0.618 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.6 | -27.8 | -178.4 | -67.4 | -75.5 | 0 | 0 | 0 | 113 | A2 A9 | A2-F5 HydrophobicContact CB-CD2 4.19Å; A2-F5 PolarHBondContact O-N 3.48Å; F5-A9 WeakPolarHBondContact O-CB 3.48Å; F5-A9 PolarHBondContact O-N 3.24Å |
| 6 | R | 71.9 | Confident | 73.3 | Confident | 169 Ų | 169 | 133.9 Ų | 133.9 | 64% | 0.638 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -70.1 | -37.2 | 173.3 | -66.7 | -173.1 | -153.9 | 163.2 | 6.6 | 112.5 | A3 A4 K10 | A3-R6 PolarHBondContact O-N 3.36Å; A4-R6 PolarHBondContact O-N 3.27Å; R6-K10 WeakPolarHBondContact O-CG 3.27Å; R6-K10 PolarHBondContact O-N 3.35Å |
| 7 | K | 71.3 | Confident | 74.3 | Confident | 163 Ų | 163 | 138.8 Ų | 138.8 | 71% | 0.709 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70.6 | -41 | 176.3 | -71.1 | -177.8 | 179.2 | -179.2 | 0 | 111.2 | A3 A4 A9 K10 S11 | A3-K7 PolarHBondContact O-N 3.48Å; A4-K7 PolarHBondContact O-N 3.37Å; K7-A9 VanDerWaalsContact C-N 3.34Å; K7-A9 PolarHBondContact O-N 2.72Å; K7-K10 PolarHBondContact O-N 3.24Å; K7-S11 PolarHBondContact O-N 3.28Å; K7-S11 VanDerWaalsContact O-N 3.14Å |
| 8 | A | 72.6 | Confident | 75.2 | Confident | 55 Ų | 55 | 137.7 Ų | 137.7 | 46% | 0.455 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -64.8 | -33.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A4 S11 | A4-A8 PolarHBondContact O-N 3.4Å; A4-A8 VanDerWaalsContact O-N 3.09Å; A8-S11 PolarHBondContact O-OG 3.04Å |
| 9 | A | 71.6 | Confident | 76 | Confident | 63 Ų | 63 | 142.1 Ų | 142.1 | 52% | 0.521 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -71.1 | -34.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F5 K7 R12 | F5-A9 WeakPolarHBondContact O-CB 3.48Å; F5-A9 PolarHBondContact O-N 3.24Å; K7-A9 VanDerWaalsContact C-N 3.34Å; K7-A9 PolarHBondContact O-N 2.72Å; A9-R12 PolarHBondContact O-N 2.83Å |
| 10 | K | 73.1 | Confident | 76.9 | Confident | 142 Ų | 142 | 140.3 Ų | 140.3 | 62% | 0.617 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73 | -24 | 178 | -75.1 | -178.5 | 179.5 | -169.7 | 0 | 113.7 | R6 K7 R12 Q13 | R6-K10 WeakPolarHBondContact O-CG 3.27Å; R6-K10 PolarHBondContact O-N 3.35Å; K7-K10 PolarHBondContact O-N 3.24Å; K10-R12 PolarHBondContact O-N 3.46Å; K10-Q13 WeakPolarHBondContact O-CB 3.42Å; K10-Q13 PolarHBondContact O-N 3.11Å; K10-Q13 VanDerWaalsContact O-N 3.1Å |
| 11 | S | 73.4 | Confident | 77.8 | Confident | 100 Ų | 100 | 135.4 Ų | 135.4 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -20.8 | 176.3 | 68 | 0 | 0 | 0 | 0 | 113.2 | K7 A8 | K7-S11 PolarHBondContact O-N 3.28Å; K7-S11 VanDerWaalsContact O-N 3.14Å; A8-S11 PolarHBondContact O-OG 3.04Å |
| 12 | R | 77.5 | Confident | 79.8 | Confident | 228 Ų | 228 | 128.9 Ų | 128.9 | 86% | 0.86 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -5.8 | 174.5 | -61.4 | -172.6 | 179.9 | -160.2 | -0.2 | 113.7 | A9 K10 | A9-R12 PolarHBondContact O-N 2.83Å; K10-R12 PolarHBondContact O-N 3.46Å |
| 13 | Q | 83 | Confident | 81.4 | Confident | 143 Ų | 143 | 129.2 Ų | 129.2 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -80.8 | 134.3 | 177.4 | -70.7 | -175.9 | -25.8 | 0 | 0 | 110.6 | K10 | K10-Q13 WeakPolarHBondContact O-CB 3.42Å; K10-Q13 PolarHBondContact O-N 3.11Å; K10-Q13 VanDerWaalsContact O-N 3.1Å |
| 14 | R | 82.3 | Confident | 82.7 | Confident | 222 Ų | 222 | 133 Ų | 133 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130.1 | 176.8 | -171.2 | 175.7 | -179.7 | 177 | 1.8 | 110.1 | H16 | R14-H16 PolarHBondContact O-N 3.01Š|
| 15 | E | 85.9 | Confident | 83.9 | Confident | 150 Ų | 150 | 136.2 Ų | 136.2 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 125.5 | 173 | -172.2 | -175.8 | -168.6 | 0 | 0 | 110.5 | ||
| 16 | H | 88.1 | Confident | 85 | Confident | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.815 | 65% | 0.646 | S | S | * | * | trans | -86.4 | 113.3 | 173 | -66.9 | -79.2 | 0 | 0 | 0 | 110 | R14 | R14-H16 PolarHBondContact O-N 3.01Š| ||
| 17 | R | 89.9 | Confident | 86.2 | Confident | 217 Ų | 217 | 136.4 Ų | 136.4 | 82% | 0.819 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 146 | 177.4 | -63.9 | -176.1 | 177 | -178.7 | -0.7 | 111.6 | ||
| 18 | E | 90.4 | Very high | 87.3 | Confident | 119 Ų | 119 | 134.2 Ų | 134.2 | 56% | 0.556 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 143.4 | 177.3 | -60.9 | -178.3 | -170.7 | 0 | 0 | 110.8 | K35 | E18-K35 IonicContact OE1-NZ 3.84Å; E18-K35 PolarHBondContact OE1-NZ 3.08Å |
| 19 | R | 91.5 | Very high | 88.3 | Confident | 220 Ų | 220 | 133.4 Ų | 133.4 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 143.8 | 178.7 | -63.7 | -173.9 | -177.3 | -153.9 | 1.8 | 111.9 | K33 | R19-K33 VanDerWaalsContact O-CE 3.26Å; R19-K33 WeakPolarHBondContact O-CE 3.44Å; R19-K33 PolarHBondContact O-NZ 3.25Å |
| 20 | S | 93.4 | Very high | 89.3 | Confident | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 168.9 | 172.4 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 21 | Q | 95.1 | Very high | 90.4 | Very high | 38 Ų | 38 | 133.6 Ų | 133.6 | 18% | 0.178 | 64% | 0.64 | C | S | . | * | P | Polyproline II helix | trans | -65.8 | 137.6 | 171.4 | -177.3 | 73.8 | -60.2 | 0 | 0 | 110.2 | R25 G29 L31 | Q21-R25 HydrophobicContact CG-CB 4.21Å; Q21-G29 PolarHBondContact NE2-O 3.03Å; Q21-L31 HydrophobicContact CB-CB 3.98Å; Q21-L31 HydrophobicContact CG-CB 4.44Å |
| 22 | P | 95.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 133.4 Ų | 133.4 | 35% | 0.351 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 142.9 | 174.8 | -24.6 | 35.8 | 0 | 0 | 0 | 112.4 | F24 R25 K26 | P22-F24 VanDerWaalsContact C-N 3.3Å; P22-F24 HydrophobicContact CB-CD1 3.84Å; P22-F24 HydrophobicContact CB-CE1 3.38Å; P22-F24 HydrophobicContact CB-CZ 3.93Å; P22-F24 HydrophobicContact CG-CE1 4.33Å; P22-F24 PolarHBondContact O-N 3.42Å; P22-R25 CarbonylContact O-C 3.59Å; P22-R25 PolarHBondContact O-N 3.11Å; P22-K26 PolarHBondContact O-N 3.09Å |
| 23 | G | 94.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -54.1 | -42.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R25 K26 | G23-R25 VanDerWaalsContact C-N 3.27Å; G23-R25 PolarHBondContact O-N 3.49Å; G23-K26 VanDerWaalsContact O-CB 3.27Å; G23-K26 WeakPolarHBondContact O-CB 3.41Å; G23-K26 PolarHBondContact O-N 3.05Å |
| 24 | F | 95.9 | Very high | 92.8 | Very high | 152 Ų | 152 | 125 Ų | 125 | 67% | 0.667 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -67.5 | -22.5 | 179 | 64.1 | -86.5 | 0 | 0 | 0 | 114 | P22 H27 | P22-F24 VanDerWaalsContact C-N 3.3Å; P22-F24 HydrophobicContact CB-CD1 3.84Å; P22-F24 HydrophobicContact CB-CE1 3.38Å; P22-F24 HydrophobicContact CB-CZ 3.93Å; P22-F24 HydrophobicContact CG-CE1 4.33Å; P22-F24 PolarHBondContact O-N 3.42Å; F24-H27 PolarHBondContact O-CE1 3.49Å; F24-H27 PolarHBondContact O-ND1 2.73Å; F24-H27 VanDerWaalsContact O-ND1 3.11Å |
| 25 | R | 95.4 | Very high | 93.4 | Very high | 135 Ų | 135 | 120.8 Ų | 120.8 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -102.3 | 9 | 176.2 | -65.2 | -168.3 | 178.3 | -178.6 | 1.1 | 113.8 | Q21 P22 G23 H27 L28 | Q21-R25 HydrophobicContact CG-CB 4.21Å; P22-R25 CarbonylContact O-C 3.59Å; P22-R25 PolarHBondContact O-N 3.11Å; G23-R25 VanDerWaalsContact C-N 3.27Å; G23-R25 PolarHBondContact O-N 3.49Å; R25-H27 PolarHBondContact O-N 3.01Å; R25-H27 VanDerWaalsContact O-N 3.12Å; R25-L28 HydrophobicContact CB-CD1 4.31Å; R25-L28 HydrophobicContact CG-CD1 4.46Å; R25-L28 PolarHBondContact O-N 3.38Å |
| 26 | K | 92.8 | Very high | 93.9 | Very high | 164 Ų | 164 | 116.2 Ų | 116.2 | 71% | 0.713 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -58.8 | -26.7 | -179.8 | -167.4 | 178.5 | 179 | -175.3 | 0 | 112.6 | P22 G23 L28 G29 | P22-K26 PolarHBondContact O-N 3.09Å; G23-K26 VanDerWaalsContact O-CB 3.27Å; G23-K26 WeakPolarHBondContact O-CB 3.41Å; G23-K26 PolarHBondContact O-N 3.05Å; K26-L28 PolarHBondContact O-N 3.26Å; K26-G29 PolarHBondContact O-N 3.19Å |
| 27 | H | 95.9 | Very high | 94.3 | Very high | 150 Ų | 150 | 113.2 Ų | 113.2 | 69% | 0.694 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -63.6 | -22.4 | 176 | 68.5 | -88.3 | 0 | 0 | 0 | 114.1 | F24 R25 G29 | F24-H27 PolarHBondContact O-CE1 3.49Å; F24-H27 PolarHBondContact O-ND1 2.73Å; F24-H27 VanDerWaalsContact O-ND1 3.11Å; R25-H27 PolarHBondContact O-N 3.01Å; R25-H27 VanDerWaalsContact O-N 3.12Å; H27-G29 PolarHBondContact O-N 3.04Å |
| 28 | L | 94.3 | Very high | 94.7 | Very high | 118 Ų | 118 | 108.6 Ų | 108.6 | 62% | 0.618 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -82 | -0.8 | 177.3 | -60.6 | 175.6 | 0 | 0 | 0 | 113.2 | R25 K26 | R25-L28 HydrophobicContact CB-CD1 4.31Å; R25-L28 HydrophobicContact CG-CD1 4.46Å; R25-L28 PolarHBondContact O-N 3.38Å; K26-L28 PolarHBondContact O-N 3.26Å |
| 29 | G | 94.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 108.8 Ų | 108.8 | 39% | 0.392 | 54% | 0.535 | S | S | . | . | trans | 84.7 | -157.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q21 K26 H27 | Q21-G29 PolarHBondContact NE2-O 3.03Å; K26-G29 PolarHBondContact O-N 3.19Å; H27-G29 PolarHBondContact O-N 3.04Å | ||
| 30 | L | 93.4 | Very high | 95.3 | Very high | 145 Ų | 145 | 104.4 Ų | 104.4 | 76% | 0.759 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -67.1 | 136.4 | -175 | -175.3 | 67.1 | 0 | 0 | 0 | 111.3 | E32 | L30-E32 PolarHBondContact O-N 3Å; L30-E32 VanDerWaalsContact O-N 3.13Å |
| 31 | L | 94.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 100.9 Ų | 100.9 | 34% | 0.335 | 50% | 0.496 | S | S | . | . | trans | -75.1 | 100.7 | 173.3 | -177.5 | 54.1 | 0 | 0 | 0 | 110.1 | Q21 K33 | Q21-L31 HydrophobicContact CB-CB 3.98Å; Q21-L31 HydrophobicContact CG-CB 4.44Å; L31-K33 WeakPolarHBondContact O-CD 3.33Å; L31-K33 VanDerWaalsContact O-CE 3.31Å; L31-K33 WeakPolarHBondContact O-CE 3.26Å; L31-K33 PolarHBondContact O-N 3.19Å | ||
| 32 | E | 93.9 | Very high | 95.7 | Very high | 96 Ų | 96 | 102.4 Ų | 102.4 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | trans | -51.5 | 131.8 | 177.9 | -68.8 | -170.3 | 168.1 | 0 | 0 | 111.7 | L30 D36 R40 | L30-E32 PolarHBondContact O-N 3Å; L30-E32 VanDerWaalsContact O-N 3.13Å; E32-D36 HydrophobicContact CB-CB 4.28Å; E32-D36 HydrophobicContact CG-CB 4.4Å; E32-R40 IonicContact OE1-CZ 2.76Å; E32-R40 IonicContact OE1-NE 2.85Å; E32-R40 PolarHBondContact OE1-NE 3.19Å; E32-R40 VanDerWaalsContact OE1-NE 3.08Å; E32-R40 IonicContact OE2-CZ 3.95Å; E32-R40 VanDerWaalsContact OE2-CZ 3.28Å; E32-R40 IonicContact OE2-NE 3.9Å; E32-R40 PolarHBondContact OE2-NE 3.39Å; E32-R40 IonicContact OE2-NH2 3.46Å; E32-R40 PolarHBondContact OE2-NH2 2.9Å | ||
| 33 | K | 95.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 103.4 Ų | 103.4 | 24% | 0.239 | 51% | 0.508 | C | S | . | . | trans | -105.5 | 177.9 | 173.1 | -52.7 | -54.3 | -179.7 | -179 | 0 | 110.4 | R19 L31 K35 D36 Y37 | R19-K33 VanDerWaalsContact O-CE 3.26Å; R19-K33 WeakPolarHBondContact O-CE 3.44Å; R19-K33 PolarHBondContact O-NZ 3.25Å; L31-K33 WeakPolarHBondContact O-CD 3.33Å; L31-K33 VanDerWaalsContact O-CE 3.31Å; L31-K33 WeakPolarHBondContact O-CE 3.26Å; L31-K33 PolarHBondContact O-N 3.19Å; K33-K35 PolarHBondContact O-N 3.33Å; K33-K35 VanDerWaalsContact O-N 3.16Å; K33-D36 PolarHBondContact N-OD2 3.04Å; K33-D36 PolarHBondContact O-N 2.9Å; K33-D36 VanDerWaalsContact O-N 3.09Å; K33-Y37 PolarHBondContact O-N 3.28Å | ||
| 34 | K | 96 | Very high | 96 | Very high | 138 Ų | 138 | 107.4 Ų | 107.4 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.3 | -32.2 | -178.8 | -172.8 | 59.5 | 174.6 | -175.3 | 0 | 112.8 | Y37 K38 | K34-Y37 HydrophobicContact CD-CD1 4.24Å; K34-K38 WeakPolarHBondContact O-CG 3.28Å; K34-K38 PolarHBondContact O-N 3.03Å; K34-K38 VanDerWaalsContact O-N 3.12Å |
| 35 | K | 95.7 | Very high | 96.1 | Very high | 135 Ų | 135 | 107.1 Ų | 107.1 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.4 | -48.7 | 176 | -66.4 | 173.1 | -175.9 | 155.8 | 0 | 110.8 | E18 K33 K38 L39 | E18-K35 IonicContact OE1-NZ 3.84Å; E18-K35 PolarHBondContact OE1-NZ 3.08Å; K33-K35 PolarHBondContact O-N 3.33Å; K33-K35 VanDerWaalsContact O-N 3.16Å; K35-K38 WeakPolarHBondContact O-CB 3.36Å; K35-K38 PolarHBondContact O-N 3Å; K35-L39 PolarHBondContact O-N 3.26Å |
| 36 | D | 96.6 | Very high | 96.2 | Very high | 54 Ų | 54 | 107.4 Ų | 107.4 | 29% | 0.289 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 179.1 | -45.4 | -45.7 | 0 | 0 | 0 | 111.4 | E32 K33 K38 L39 R40 | E32-D36 HydrophobicContact CB-CB 4.28Å; E32-D36 HydrophobicContact CG-CB 4.4Å; K33-D36 PolarHBondContact N-OD2 3.04Å; K33-D36 PolarHBondContact O-N 2.9Å; K33-D36 VanDerWaalsContact O-N 3.09Å; D36-K38 VanDerWaalsContact C-N 3.29Å; D36-K38 PolarHBondContact O-N 3.41Å; D36-L39 PolarHBondContact O-N 3.32Å; D36-R40 PolarHBondContact O-N 2.62Å |
| 37 | Y | 96.4 | Very high | 96.5 | Very high | 112 Ų | 112 | 105 Ų | 105 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56 | -43.4 | 174.2 | 171 | -91.5 | 0 | 0 | 0 | 112 | K33 K34 R40 A41 | K33-Y37 PolarHBondContact O-N 3.28Å; K34-Y37 HydrophobicContact CD-CD1 4.24Å; Y37-R40 PolarHBondContact O-N 3.01Å; Y37-A41 HydrophobicContact CE1-CB 4.25Å; Y37-A41 VanDerWaalsContact O-CB 3.27Å; Y37-A41 WeakPolarHBondContact O-CB 3.37Å; Y37-A41 PolarHBondContact O-N 3.33Å |
| 38 | K | 97.7 | Very high | 96.5 | Very high | 120 Ų | 120 | 101 Ų | 101 | 52% | 0.522 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -47 | 178.1 | -76.9 | 177.7 | 178.6 | -170.9 | 0 | 110.8 | K34 K35 D36 R40 A41 D42 | K34-K38 WeakPolarHBondContact O-CG 3.28Å; K34-K38 PolarHBondContact O-N 3.03Å; K34-K38 VanDerWaalsContact O-N 3.12Å; K35-K38 WeakPolarHBondContact O-CB 3.36Å; K35-K38 PolarHBondContact O-N 3Å; D36-K38 VanDerWaalsContact C-N 3.29Å; D36-K38 PolarHBondContact O-N 3.41Å; K38-R40 VanDerWaalsContact C-N 3.33Å; K38-R40 PolarHBondContact O-N 3.2Å; K38-A41 PolarHBondContact O-N 3.4Å; K38-D42 WeakPolarHBondContact O-CB 3.34Å; K38-D42 VanDerWaalsContact O-CG 3.25Å; K38-D42 PolarHBondContact O-N 3.41Å |
| 39 | L | 97.6 | Very high | 96.7 | Very high | 123 Ų | 123 | 100.3 Ų | 100.3 | 64% | 0.644 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.2 | -44.2 | 176.9 | -65.6 | 175.2 | 0 | 0 | 0 | 111.9 | K35 D36 D42 D43 | K35-L39 PolarHBondContact O-N 3.26Å; D36-L39 PolarHBondContact O-N 3.32Å; L39-D42 PolarHBondContact O-N 3.01Å; L39-D43 WeakPolarHBondContact O-CB 3.49Å; L39-D43 PolarHBondContact O-N 2.95Å |
| 40 | R | 97.6 | Very high | 96.9 | Very high | 129 Ų | 129 | 105.8 Ų | 105.8 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.4 | -177.5 | 165.4 | 61.4 | 85.2 | -3.9 | 112.4 | E32 D36 Y37 K38 Y44 | E32-R40 IonicContact OE1-CZ 2.76Å; E32-R40 IonicContact OE1-NE 2.85Å; E32-R40 PolarHBondContact OE1-NE 3.19Å; E32-R40 VanDerWaalsContact OE1-NE 3.08Å; E32-R40 IonicContact OE2-CZ 3.95Å; E32-R40 VanDerWaalsContact OE2-CZ 3.28Å; E32-R40 IonicContact OE2-NE 3.9Å; E32-R40 PolarHBondContact OE2-NE 3.39Å; E32-R40 IonicContact OE2-NH2 3.46Å; E32-R40 PolarHBondContact OE2-NH2 2.9Å; D36-R40 PolarHBondContact O-N 2.62Å; Y37-R40 PolarHBondContact O-N 3.01Å; K38-R40 VanDerWaalsContact C-N 3.33Å; K38-R40 PolarHBondContact O-N 3.2Å; R40-Y44 WeakPolarHBondContact O-CB 3.49Å; R40-Y44 PolarHBondContact O-N 3.24Å |
| 41 | A | 97.8 | Very high | 97.1 | Very high | 32 Ų | 32 | 102.5 Ų | 102.5 | 26% | 0.264 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y37 K38 Y44 R45 | Y37-A41 HydrophobicContact CE1-CB 4.25Å; Y37-A41 VanDerWaalsContact O-CB 3.27Å; Y37-A41 WeakPolarHBondContact O-CB 3.37Å; Y37-A41 PolarHBondContact O-N 3.33Å; K38-A41 PolarHBondContact O-N 3.4Å; A41-Y44 PolarHBondContact O-N 3.42Å; A41-R45 WeakPolarHBondContact O-CB 3.49Å; A41-R45 PolarHBondContact O-N 3.22Å |
| 42 | D | 97.9 | Very high | 97.3 | Very high | 70 Ų | 70 | 108.2 Ų | 108.2 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 177.4 | -71.6 | -27.1 | 0 | 0 | 0 | 111.6 | K38 L39 R45 K46 | K38-D42 WeakPolarHBondContact O-CB 3.34Å; K38-D42 VanDerWaalsContact O-CG 3.25Å; K38-D42 PolarHBondContact O-N 3.41Å; L39-D42 PolarHBondContact O-N 3.01Å; D42-R45 PolarHBondContact O-N 3.48Å; D42-R45 IonicContact OD1-NH2 4Å; D42-K46 WeakPolarHBondContact O-CB 3.47Å; D42-K46 VanDerWaalsContact O-CG 3.29Å; D42-K46 WeakPolarHBondContact O-CG 3.26Å; D42-K46 PolarHBondContact O-N 3.4Å |
| 43 | D | 98.3 | Very high | 97.5 | Very high | 76 Ų | 76 | 105.9 Ų | 105.9 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 173.8 | 177.9 | 62.4 | 0 | 0 | 0 | 111.8 | L39 R45 K46 K47 | L39-D43 WeakPolarHBondContact O-CB 3.49Å; L39-D43 PolarHBondContact O-N 2.95Å; D43-R45 VanDerWaalsContact C-N 3.35Å; D43-R45 PolarHBondContact O-N 2.79Å; D43-K46 PolarHBondContact O-N 2.87Å; D43-K47 WeakPolarHBondContact O-CG 3.43Å; D43-K47 PolarHBondContact O-N 2.91Å; D43-K47 WeakPolarHBondContact OD1-CE 3.43Å; D43-K47 IonicContact OD1-NZ 3Å; D43-K47 VanDerWaalsContact OD2-CE 3.24Å; D43-K47 WeakPolarHBondContact OD2-CE 3.48Å; D43-K47 IonicContact OD2-NZ 3.9Å; D43-K47 PolarHBondContact OD2-NZ 2.68Å |
| 44 | Y | 98.1 | Very high | 97.6 | Very high | 150 Ų | 150 | 106.7 Ų | 106.7 | 59% | 0.588 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.6 | -45.7 | 176.2 | -179.5 | -101.1 | 0 | 0 | 0 | 111.5 | R40 A41 K46 K47 Q48 | R40-Y44 WeakPolarHBondContact O-CB 3.49Å; R40-Y44 PolarHBondContact O-N 3.24Å; A41-Y44 PolarHBondContact O-N 3.42Å; Y44-K46 PolarHBondContact O-N 3.1Å; Y44-K47 PolarHBondContact O-N 3.1Å; Y44-Q48 HydrophobicContact CD1-CG 4.03Å; Y44-Q48 HydrophobicContact CD2-CG 4.47Å; Y44-Q48 HydrophobicContact CE1-CG 3.61Å; Y44-Q48 HydrophobicContact CE2-CG 4.09Å; Y44-Q48 HydrophobicContact CG-CG 4.45Å; Y44-Q48 WeakPolarHBondContact O-CG 3.42Å; Y44-Q48 PolarHBondContact O-N 3.28Å; Y44-Q48 PolarHBondContact OH-NE2 3.04Å |
| 45 | R | 97.9 | Very high | 97.6 | Very high | 146 Ų | 146 | 108.2 Ų | 108.2 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 178.1 | -170.1 | 178.5 | 68.5 | -170.3 | -4.9 | 111.4 | A41 D42 D43 K47 Q48 E49 | A41-R45 WeakPolarHBondContact O-CB 3.49Å; A41-R45 PolarHBondContact O-N 3.22Å; D42-R45 PolarHBondContact O-N 3.48Å; D42-R45 IonicContact OD1-NH2 4Å; D43-R45 VanDerWaalsContact C-N 3.35Å; D43-R45 PolarHBondContact O-N 2.79Å; R45-K47 VanDerWaalsContact C-N 3.33Å; R45-K47 PolarHBondContact O-N 3.21Å; R45-Q48 PolarHBondContact O-N 3.01Å; R45-E49 HydrophobicContact CG-CG 4.42Å; R45-E49 WeakPolarHBondContact CG-OE1 3.43Å; R45-E49 IonicContact NE-OE1 3.28Å; R45-E49 WeakPolarHBondContact O-CB 3.45Å; R45-E49 WeakPolarHBondContact O-CG 3.44Å; R45-E49 PolarHBondContact O-N 2.93Å |
| 46 | K | 98.2 | Very high | 97.7 | Very high | 141 Ų | 141 | 107.6 Ų | 107.6 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.5 | -44.9 | 175.7 | -75.2 | 173.7 | -179.3 | -179.6 | 0 | 112 | D42 D43 Y44 E49 Y50 | D42-K46 WeakPolarHBondContact O-CB 3.47Å; D42-K46 VanDerWaalsContact O-CG 3.29Å; D42-K46 WeakPolarHBondContact O-CG 3.26Å; D42-K46 PolarHBondContact O-N 3.4Å; D43-K46 PolarHBondContact O-N 2.87Å; Y44-K46 PolarHBondContact O-N 3.1Å; K46-E49 PolarHBondContact O-N 3.48Å; K46-Y50 WeakPolarHBondContact O-CB 3.46Å; K46-Y50 PolarHBondContact O-N 3.32Å |
| 47 | K | 98.3 | Very high | 97.7 | Very high | 113 Ų | 113 | 112.2 Ų | 112.2 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 176.9 | -73.6 | 170.8 | 178 | 166.2 | 0 | 111.9 | D43 Y44 R45 Y50 L51 | D43-K47 WeakPolarHBondContact O-CG 3.43Å; D43-K47 PolarHBondContact O-N 2.91Å; D43-K47 WeakPolarHBondContact OD1-CE 3.43Å; D43-K47 IonicContact OD1-NZ 3Å; D43-K47 VanDerWaalsContact OD2-CE 3.24Å; D43-K47 WeakPolarHBondContact OD2-CE 3.48Å; D43-K47 IonicContact OD2-NZ 3.9Å; D43-K47 PolarHBondContact OD2-NZ 2.68Å; Y44-K47 PolarHBondContact O-N 3.1Å; R45-K47 VanDerWaalsContact C-N 3.33Å; R45-K47 PolarHBondContact O-N 3.21Å; K47-Y50 PolarHBondContact O-N 3.39Å; K47-L51 WeakPolarHBondContact O-CB 3.31Å; K47-L51 VanDerWaalsContact O-CG 3.32Å; K47-L51 WeakPolarHBondContact O-CG 3.24Å; K47-L51 PolarHBondContact O-N 3.1Å |
| 48 | Q | 97.9 | Very high | 97.6 | Very high | 67 Ų | 67 | 110.4 Ų | 110.4 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 177.6 | -71.7 | -58.9 | -33.3 | 0 | 0 | 112.4 | Y44 R45 Y50 L51 R52 | Y44-Q48 HydrophobicContact CD1-CG 4.03Å; Y44-Q48 HydrophobicContact CD2-CG 4.47Å; Y44-Q48 HydrophobicContact CE1-CG 3.61Å; Y44-Q48 HydrophobicContact CE2-CG 4.09Å; Y44-Q48 HydrophobicContact CG-CG 4.45Å; Y44-Q48 WeakPolarHBondContact O-CG 3.42Å; Y44-Q48 PolarHBondContact O-N 3.28Å; Y44-Q48 PolarHBondContact OH-NE2 3.04Å; R45-Q48 PolarHBondContact O-N 3.01Å; Q48-Y50 VanDerWaalsContact C-N 3.35Å; Q48-L51 PolarHBondContact O-N 3.47Å; Q48-R52 WeakPolarHBondContact O-CB 3.48Å; Q48-R52 PolarHBondContact O-N 3.45Å |
| 49 | E | 98 | Very high | 97.6 | Very high | 102 Ų | 102 | 112 Ų | 112 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 174.3 | -74.5 | 171 | -175.4 | 0 | 0 | 111.1 | R45 K46 R52 A53 | R45-E49 HydrophobicContact CG-CG 4.42Å; R45-E49 WeakPolarHBondContact CG-OE1 3.43Å; R45-E49 IonicContact NE-OE1 3.28Å; R45-E49 WeakPolarHBondContact O-CB 3.45Å; R45-E49 WeakPolarHBondContact O-CG 3.44Å; R45-E49 PolarHBondContact O-N 2.93Å; K46-E49 PolarHBondContact O-N 3.48Å; E49-R52 PolarHBondContact O-N 3.09Å; E49-A53 PolarHBondContact O-N 3Å |
| 50 | Y | 97.9 | Very high | 97.5 | Very high | 154 Ų | 154 | 112.6 Ų | 112.6 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -46.4 | 176.1 | -177.4 | -105.4 | 0 | 0 | 0 | 112.5 | K46 K47 Q48 R52 A53 L54 | K46-Y50 WeakPolarHBondContact O-CB 3.46Å; K46-Y50 PolarHBondContact O-N 3.32Å; K47-Y50 PolarHBondContact O-N 3.39Å; Q48-Y50 VanDerWaalsContact C-N 3.35Å; Y50-R52 VanDerWaalsContact C-N 3.31Å; Y50-R52 PolarHBondContact O-N 2.98Å; Y50-A53 PolarHBondContact O-N 3.17Å; Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CD1-CG 4.35Å; Y50-L54 HydrophobicContact CE1-CD1 3.34Å; Y50-L54 HydrophobicContact CE1-CG 3.97Å; Y50-L54 PolarHBondContact O-N 3.2Å |
| 51 | L | 97.9 | Very high | 97.3 | Very high | 76 Ų | 76 | 112.5 Ų | 112.5 | 40% | 0.398 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 176 | -74 | 174.3 | 0 | 0 | 0 | 112 | K47 Q48 L54 R55 | K47-L51 WeakPolarHBondContact O-CB 3.31Å; K47-L51 VanDerWaalsContact O-CG 3.32Å; K47-L51 WeakPolarHBondContact O-CG 3.24Å; K47-L51 PolarHBondContact O-N 3.1Å; Q48-L51 PolarHBondContact O-N 3.47Å; L51-L54 PolarHBondContact O-N 3.39Å; L51-R55 WeakPolarHBondContact O-CB 3.37Å; L51-R55 VanDerWaalsContact O-CG 3.31Å; L51-R55 WeakPolarHBondContact O-CG 3.44Å; L51-R55 PolarHBondContact O-N 2.91Å |
| 52 | R | 97.9 | Very high | 97.2 | Very high | 183 Ų | 183 | 115.1 Ų | 115.1 | 69% | 0.691 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 175 | -171.6 | -176.3 | -64.4 | 172 | -1.4 | 111.1 | Q48 E49 Y50 R55 K56 | Q48-R52 WeakPolarHBondContact O-CB 3.48Å; Q48-R52 PolarHBondContact O-N 3.45Å; E49-R52 PolarHBondContact O-N 3.09Å; Y50-R52 VanDerWaalsContact C-N 3.31Å; Y50-R52 PolarHBondContact O-N 2.98Å; R52-R55 PolarHBondContact O-N 3.34Å; R52-K56 WeakPolarHBondContact O-CB 3.11Å; R52-K56 PolarHBondContact O-N 2.99Å |
| 53 | A | 98.1 | Very high | 97 | Very high | 47 Ų | 47 | 117.2 Ų | 117.2 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E49 Y50 K56 K57 | E49-A53 PolarHBondContact O-N 3Å; Y50-A53 PolarHBondContact O-N 3.17Å; A53-K56 PolarHBondContact O-N 3.45Å; A53-K57 WeakPolarHBondContact O-CG 3.42Å; A53-K57 PolarHBondContact O-N 3.34Å |
| 54 | L | 97.5 | Very high | 96.9 | Very high | 72 Ų | 72 | 120.3 Ų | 120.3 | 38% | 0.377 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.4 | -42.6 | 174.9 | -73.2 | -178.8 | 0 | 0 | 0 | 112.5 | Y50 L51 K57 A58 | Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CD1-CG 4.35Å; Y50-L54 HydrophobicContact CE1-CD1 3.34Å; Y50-L54 HydrophobicContact CE1-CG 3.97Å; Y50-L54 PolarHBondContact O-N 3.2Å; L51-L54 PolarHBondContact O-N 3.39Å; L54-K57 PolarHBondContact O-N 2.8Å; L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 2.88Å |
| 55 | R | 97.4 | Very high | 96.6 | Very high | 171 Ų | 171 | 116 Ų | 116 | 65% | 0.645 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.2 | -44.2 | 175.2 | -74.7 | 174.6 | -177.7 | 174.4 | 1.1 | 111.6 | L51 R52 A58 L59 | L51-R55 WeakPolarHBondContact O-CB 3.37Å; L51-R55 VanDerWaalsContact O-CG 3.31Å; L51-R55 WeakPolarHBondContact O-CG 3.44Å; L51-R55 PolarHBondContact O-N 2.91Å; R52-R55 PolarHBondContact O-N 3.34Å; R55-A58 PolarHBondContact O-N 3.4Å; R55-L59 WeakPolarHBondContact O-CG 3.32Å; R55-L59 PolarHBondContact O-N 3.32Å |
| 56 | K | 97.7 | Very high | 96.4 | Very high | 121 Ų | 121 | 115.4 Ų | 115.4 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.9 | -48.3 | 175.4 | -174.8 | 176.9 | 176.7 | -179.6 | 0 | 111.2 | R52 A53 A58 L59 E60 | R52-K56 WeakPolarHBondContact O-CB 3.11Å; R52-K56 PolarHBondContact O-N 2.99Å; A53-K56 PolarHBondContact O-N 3.45Å; K56-A58 VanDerWaalsContact C-N 3.3Å; K56-A58 PolarHBondContact O-N 3.41Å; K56-L59 PolarHBondContact O-N 3.05Å; K56-E60 WeakPolarHBondContact CE-OE1 3.47Å; K56-E60 WeakPolarHBondContact CE-OE2 3.41Å; K56-E60 HydrophobicContact CG-CG 4.39Å; K56-E60 IonicContact NZ-OE1 3.68Å; K56-E60 WeakPolarHBondContact O-CB 2.8Å; K56-E60 WeakPolarHBondContact O-CG 3.22Å; K56-E60 PolarHBondContact O-N 3.19Å |
| 57 | K | 96.2 | Very high | 96.1 | Very high | 152 Ų | 152 | 115.6 Ų | 115.6 | 66% | 0.661 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.6 | -37.8 | 175.4 | -72.3 | -178.9 | 178.2 | -169.5 | 0 | 113.4 | A53 L54 K61 | A53-K57 WeakPolarHBondContact O-CG 3.42Å; A53-K57 PolarHBondContact O-N 3.34Å; L54-K57 PolarHBondContact O-N 2.8Å; K57-K61 PolarHBondContact O-N 3.42Å |
| 58 | A | 94.9 | Very high | 95.8 | Very high | 74 Ų | 74 | 119.6 Ų | 119.6 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.2 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L54 R55 K56 K61 | L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 2.88Å; R55-A58 PolarHBondContact O-N 3.4Å; K56-A58 VanDerWaalsContact C-N 3.3Å; K56-A58 PolarHBondContact O-N 3.41Å; A58-K61 WeakPolarHBondContact O-CB 3.32Å |
| 59 | L | 96.1 | Very high | 95.3 | Very high | 153 Ų | 153 | 124.4 Ų | 124.4 | 80% | 0.801 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.5 | -38.8 | 176.1 | -71.8 | 170.8 | 0 | 0 | 0 | 112.5 | R55 K56 K61 | R55-L59 WeakPolarHBondContact O-CG 3.32Å; R55-L59 PolarHBondContact O-N 3.32Å; K56-L59 PolarHBondContact O-N 3.05Å; L59-K61 PolarHBondContact O-N 3.23Å |
| 60 | E | 96 | Very high | 94.8 | Very high | 135 Ų | 135 | 123.3 Ų | 123.3 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 9.3 | 180 | -66.1 | 175 | 166.3 | 0 | 0 | 113.1 | K56 N62 | K56-E60 WeakPolarHBondContact CE-OE1 3.47Å; K56-E60 WeakPolarHBondContact CE-OE2 3.41Å; K56-E60 HydrophobicContact CG-CG 4.39Å; K56-E60 IonicContact NZ-OE1 3.68Å; K56-E60 WeakPolarHBondContact O-CB 2.8Å; K56-E60 WeakPolarHBondContact O-CG 3.22Å; K56-E60 PolarHBondContact O-N 3.19Å; E60-N62 PolarHBondContact O-N 3.02Å |
| 61 | K | 94.4 | Very high | 94.3 | Very high | 127 Ų | 127 | 120.8 Ų | 120.8 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | trans | -70.1 | 128.2 | -176.9 | -173 | -175.5 | -178 | -169.4 | 0 | 111.2 | K57 A58 L59 E65 | K57-K61 PolarHBondContact O-N 3.42Å; A58-K61 WeakPolarHBondContact O-CB 3.32Å; L59-K61 PolarHBondContact O-N 3.23Å; K61-E65 WeakPolarHBondContact CE-OE1 3.41Å; K61-E65 IonicContact NZ-OE1 3.82Å | ||
| 62 | N | 95.8 | Very high | 93.7 | Very high | 87 Ų | 87 | 127.2 Ų | 127.2 | 47% | 0.465 | 60% | 0.599 | S | S | . | * | trans | -77.3 | 121.5 | 171.5 | -178.9 | 2.9 | 0 | 0 | 0 | 110 | E60 D64 E65 | E60-N62 PolarHBondContact O-N 3.02Å; N62-D64 PolarHBondContact O-N 3.44Å; N62-D64 PolarHBondContact OD1-N 2.91Å; N62-E65 HydrophobicContact CB-CB 4.37Å; N62-E65 WeakPolarHBondContact O-CG 3.42Å; N62-E65 PolarHBondContact O-N 3.45Å | ||
| 63 | P | 93.3 | Very high | 93.2 | Very high | 115 Ų | 115 | 121 Ų | 121 | 75% | 0.747 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -25.4 | 178.4 | 26.3 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 64 | D | 94.8 | Very high | 92.6 | Very high | 140 Ų | 140 | 125.1 Ų | 125.1 | 75% | 0.749 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 11.3 | -177.2 | -58.9 | -35.6 | 0 | 0 | 0 | 113.1 | N62 F66 | N62-D64 PolarHBondContact O-N 3.44Å; N62-D64 PolarHBondContact OD1-N 2.91Å; D64-F66 PolarHBondContact O-N 3.39Å |
| 65 | E | 92.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 126.8 Ų | 126.8 | 29% | 0.285 | 60% | 0.6 | S | S | . | * | trans | -65.2 | 130.6 | 178.7 | 73.4 | -178.3 | -171.7 | 0 | 0 | 111.7 | K61 N62 Y67 M70 | K61-E65 WeakPolarHBondContact CE-OE1 3.41Å; K61-E65 IonicContact NZ-OE1 3.82Å; N62-E65 HydrophobicContact CB-CB 4.37Å; N62-E65 WeakPolarHBondContact O-CG 3.42Å; N62-E65 PolarHBondContact O-N 3.45Å; E65-Y67 HydrophobicContact CG-CE2 4.43Å; E65-M70 HydrophobicContact CG-CE 3.96Å; E65-M70 WeakPolarHBondContact O-CE 3.45Å | ||
| 66 | F | 93.9 | Very high | 91.8 | Very high | 132 Ų | 132 | 124.1 Ų | 124.1 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | trans | -124.3 | 120.9 | 175.1 | 179.5 | -101.7 | 0 | 0 | 0 | 111.4 | D64 Y68 M70 T71 | D64-F66 PolarHBondContact O-N 3.39Å; F66-Y68 AromaticContact CE1-CD1 3.99Å; F66-Y68 HydrophobicContact CE1-CD1 3.99Å; F66-Y68 HydrophobicContact CE1-CE1 4.2Å; F66-M70 HydrophobicContact CD2-SD 4.38Å; F66-T71 HydrophobicContact CE2-CG2 4.39Å; F66-T71 HydrophobicContact CZ-CG2 4.06Å | ||
| 67 | Y | 92.5 | Very high | 91.3 | Very high | 146 Ų | 146 | 125.7 Ų | 125.7 | 57% | 0.573 | 61% | 0.609 | S | S | * | * | trans | -112.9 | 136.2 | 169 | -65.5 | -74.6 | 0 | 0 | 0 | 109.6 | E65 K69 M70 | E65-Y67 HydrophobicContact CG-CE2 4.43Å; Y67-K69 PolarHBondContact O-N 3.44Å; Y67-M70 HydrophobicContact CD2-CE 3.63Å; Y67-M70 HydrophobicContact CE2-CE 4.48Å; Y67-M70 HydrophobicContact CG-CE 4.45Å; Y67-M70 WeakPolarHBondContact O-CB 3.33Å; Y67-M70 VanDerWaalsContact O-CG 3.29Å; Y67-M70 WeakPolarHBondContact O-CG 3.38Å; Y67-M70 PolarHBondContact O-N 3.22Å | ||
| 68 | Y | 91.5 | Very high | 90.8 | Very high | 197 Ų | 197 | 121.4 Ų | 121.4 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -53 | -29.2 | 179.4 | -68.1 | -72.9 | 0 | 0 | 0 | 114.2 | F66 M70 T71 | F66-Y68 AromaticContact CE1-CD1 3.99Å; F66-Y68 HydrophobicContact CE1-CD1 3.99Å; F66-Y68 HydrophobicContact CE1-CE1 4.2Å; Y68-M70 PolarHBondContact O-N 2.88Å; Y68-T71 PolarHBondContact O-N 3.4Å; Y68-T71 PolarHBondContact O-OG1 3.28Å |
| 69 | K | 87.9 | Confident | 90.5 | Very high | 168 Ų | 168 | 122.7 Ų | 122.7 | 73% | 0.73 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -64.7 | -23.5 | 176.3 | -70.3 | -175 | 178.1 | 179.1 | 0 | 113.6 | Y67 T71 R72 V73 | Y67-K69 PolarHBondContact O-N 3.44Å; K69-T71 PolarHBondContact O-N 2.86Å; K69-R72 PolarHBondContact O-N 3.19Å; K69-V73 PolarHBondContact O-N 2.95Å |
| 70 | M | 86.9 | Confident | 90.2 | Very high | 78 Ų | 78 | 121.5 Ų | 121.5 | 38% | 0.384 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -62 | -22 | 176.3 | -62.8 | -178.3 | 178.1 | 0 | 0 | 112.6 | E65 F66 Y67 Y68 R72 | E65-M70 HydrophobicContact CG-CE 3.96Å; E65-M70 WeakPolarHBondContact O-CE 3.45Å; F66-M70 HydrophobicContact CD2-SD 4.38Å; Y67-M70 HydrophobicContact CD2-CE 3.63Å; Y67-M70 HydrophobicContact CE2-CE 4.48Å; Y67-M70 HydrophobicContact CG-CE 4.45Å; Y67-M70 WeakPolarHBondContact O-CB 3.33Å; Y67-M70 VanDerWaalsContact O-CG 3.29Å; Y67-M70 WeakPolarHBondContact O-CG 3.38Å; Y67-M70 PolarHBondContact O-N 3.22Å; Y68-M70 PolarHBondContact O-N 2.88Å; M70-R72 VanDerWaalsContact C-N 3.31Å; M70-R72 PolarHBondContact O-N 3.01Å |
| 71 | T | 87.9 | Confident | 89.7 | Confident | 101 Ų | 101 | 118.3 Ų | 118.3 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -69.7 | -28.1 | 174.6 | 61.5 | 0 | 0 | 0 | 0 | 113.1 | F66 Y68 K69 | F66-T71 HydrophobicContact CE2-CG2 4.39Å; F66-T71 HydrophobicContact CZ-CG2 4.06Å; Y68-T71 PolarHBondContact O-N 3.4Å; Y68-T71 PolarHBondContact O-OG1 3.28Å; K69-T71 PolarHBondContact O-N 2.86Å |
| 72 | R | 84.6 | Confident | 89 | Confident | 211 Ų | 211 | 119.3 Ų | 119.3 | 80% | 0.796 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -37.4 | -175.9 | -61.5 | -176.5 | -176.9 | -176.3 | 0.3 | 112.5 | K69 M70 | K69-R72 PolarHBondContact O-N 3.19Å; M70-R72 VanDerWaalsContact C-N 3.31Å; M70-R72 PolarHBondContact O-N 3.01Å |
| 73 | V | 86.2 | Confident | 88 | Confident | 52 Ų | 52 | 121.5 Ų | 121.5 | 32% | 0.315 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -88.3 | 128.3 | -177.1 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | K69 H80 | K69-V73 PolarHBondContact O-N 2.95Å; V73-H80 HydrophobicContact CG1-CB 4.02Å; V73-H80 WeakPolarHBondContact CG1-ND1 3.49Å |
| 74 | K | 85.9 | Confident | 87.1 | Confident | 135 Ų | 135 | 124.2 Ų | 124.2 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 141.9 | 175.5 | -64.3 | -169 | 175.1 | -166 | 0 | 110.2 | I81 | K74-I81 PolarHBondContact O-N 3.41Å |
| 75 | L | 89.3 | Confident | 86.1 | Confident | 107 Ų | 107 | 124.2 Ų | 124.2 | 56% | 0.56 | 61% | 0.607 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.2 | 167.7 | -159.2 | 76.3 | 0 | 0 | 0 | 107.8 | ||
| 76 | Q | 88.7 | Confident | 85.2 | Confident | 115 Ų | 115 | 130 Ų | 130 | 54% | 0.537 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.2 | 125 | 170.2 | -174.3 | 172.4 | -11 | 0 | 0 | 107.2 | G78 V79 I81 | Q76-G78 PolarHBondContact O-N 3.38Å; Q76-G78 VanDerWaalsContact O-N 3.09Å; Q76-V79 PolarHBondContact N-O 3.11Å; Q76-V79 PolarHBondContact O-N 2.81Å; Q76-I81 HydrophobicContact CB-CD1 3.41Å; Q76-I81 VanDerWaalsContact CB-CD1 3.41Å; Q76-I81 HydrophobicContact CB-CG1 4.07Å; Q76-I81 HydrophobicContact CG-CD1 4.15Å |
| 77 | D | 88.7 | Confident | 84.3 | Confident | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.4 | 34.9 | -178.9 | -51.3 | -41.2 | 0 | 0 | 0 | 113.9 | V79 | D77-V79 VanDerWaalsContact C-N 3.34Å; D77-V79 PolarHBondContact O-N 3.09Å |
| 78 | G | 84.7 | Confident | 83.7 | Confident | 61 Ų | 61 | 134.3 Ų | 134.3 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.6 | 2.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q76 | Q76-G78 PolarHBondContact O-N 3.38Å; Q76-G78 VanDerWaalsContact O-N 3.09Å |
| 79 | V | 89.1 | Confident | 83.4 | Confident | 101 Ų | 101 | 127.3 Ų | 127.3 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.2 | 178.8 | -175.6 | 0 | 0 | 0 | 0 | 111 | Q76 D77 I81 | Q76-V79 PolarHBondContact N-O 3.11Å; Q76-V79 PolarHBondContact O-N 2.81Å; D77-V79 VanDerWaalsContact C-N 3.34Å; D77-V79 PolarHBondContact O-N 3.09Å; V79-I81 PolarHBondContact O-N 3.05Å |
| 80 | H | 88.3 | Confident | 83.6 | Confident | 128 Ų | 128 | 122.3 Ų | 122.3 | 59% | 0.593 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.2 | 121.8 | 176.1 | -76 | -67.3 | 0 | 0 | 0 | 111.1 | V73 | V73-H80 HydrophobicContact CG1-CB 4.02Å; V73-H80 WeakPolarHBondContact CG1-ND1 3.49Å |
| 81 | I | 85.9 | Confident | 83.6 | Confident | 68 Ų | 68 | 123.1 Ų | 123.1 | 35% | 0.349 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.9 | 169.8 | -60.1 | 179.6 | 0 | 0 | 0 | 108.1 | K74 Q76 V79 K83 | K74-I81 PolarHBondContact O-N 3.41Å; Q76-I81 HydrophobicContact CB-CD1 3.41Å; Q76-I81 VanDerWaalsContact CB-CD1 3.41Å; Q76-I81 HydrophobicContact CB-CG1 4.07Å; Q76-I81 HydrophobicContact CG-CD1 4.15Å; V79-I81 PolarHBondContact O-N 3.05Å; I81-K83 PolarHBondContact O-N 2.75Å |
| 82 | I | 79.9 | Confident | 83.7 | Confident | 148 Ų | 148 | 126 Ų | 126 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | trans | -74.8 | 105.4 | 166.5 | -56.6 | 172.9 | 0 | 0 | 0 | 106.2 | E84 | I82-E84 PolarHBondContact O-N 2.95Š| ||
| 83 | K | 74.3 | Confident | 84 | Confident | 134 Ų | 134 | 120.6 Ų | 120.6 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | trans | -66.1 | 121.9 | 170.7 | -69.6 | -177 | 177.9 | -177.9 | 0 | 108 | I81 T85 | I81-K83 PolarHBondContact O-N 2.75Å; K83-T85 PolarHBondContact O-N 3.46Å | ||
| 84 | E | 75.9 | Confident | 84.3 | Confident | 171 Ų | 171 | 121 Ų | 121 | 80% | 0.799 | 62% | 0.621 | S | S | * | * | trans | -58.1 | 127.9 | 165.1 | -66.9 | 179.4 | 170.6 | 0 | 0 | 108.2 | I82 K86 | I82-E84 PolarHBondContact O-N 2.95Å; E84-K86 PolarHBondContact O-N 3.4Å | ||
| 85 | T | 73.4 | Confident | 84.6 | Confident | 140 Ų | 140 | 118.2 Ų | 118.2 | 86% | 0.859 | 61% | 0.609 | S | S | * | * | trans | -62.4 | 100.1 | 170 | 30.3 | 0 | 0 | 0 | 0 | 107.8 | K83 E87 | K83-T85 PolarHBondContact O-N 3.46Å; T85-E87 PolarHBondContact O-N 3.47Å | ||
| 86 | K | 73.1 | Confident | 84.8 | Confident | 184 Ų | 184 | 118.2 Ų | 118.2 | 80% | 0.8 | 61% | 0.609 | S | S | * | * | trans | -71.2 | 126.9 | 167.7 | -65.5 | -175.2 | -179.1 | -179 | 0 | 107.1 | E84 E88 | E84-K86 PolarHBondContact O-N 3.4Å; K86-E88 PolarHBondContact O-N 3.5Å | ||
| 87 | E | 75.6 | Confident | 85.1 | Confident | 176 Ų | 176 | 117.4 Ų | 117.4 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | trans | -57.9 | 120.9 | 170.1 | -67.4 | 178.5 | 174.4 | 0 | 0 | 108.5 | T85 V89 | T85-E87 PolarHBondContact O-N 3.47Å; E87-V89 HydrophobicContact CB-CG2 4.37Å; E87-V89 PolarHBondContact O-N 3.2Å | ||
| 88 | E | 80.1 | Confident | 85.3 | Confident | 191 Ų | 191 | 113.4 Ų | 113.4 | 89% | 0.893 | 58% | 0.58 | S | S | * | * | trans | -76.9 | 92.5 | 177.5 | -66.4 | -175.3 | 174.7 | 0 | 0 | 108.4 | K86 | K86-E88 PolarHBondContact O-N 3.5Š| ||
| 89 | V | 85.6 | Confident | 85.9 | Confident | 51 Ų | 51 | 112 Ų | 112 | 31% | 0.309 | 56% | 0.559 | S | S | . | * | trans | -89.5 | 126.1 | 178.7 | -166.6 | 0 | 0 | 0 | 0 | 109.5 | E87 Q93 L94 M97 | E87-V89 HydrophobicContact CB-CG2 4.37Å; E87-V89 PolarHBondContact O-N 3.2Å; V89-Q93 HydrophobicContact CG1-CB 3.43Å; V89-Q93 VanDerWaalsContact CG1-CB 3.43Å; V89-L94 HydrophobicContact CB-CD2 4.03Å; V89-L94 HydrophobicContact CB-CG 3.99Å; V89-L94 HydrophobicContact CG1-CD2 3.81Å; V89-L94 HydrophobicContact CG1-CG 3.65Å; V89-M97 HydrophobicContact CG1-SD 4.18Å | ||
| 90 | T | 90.6 | Very high | 86.2 | Confident | 62 Ų | 62 | 112.6 Ų | 112.6 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | trans | -66.7 | 154.3 | 176.1 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | E92 Q93 L94 | T90-E92 PolarHBondContact O-N 3.33Å; T90-E92 VanDerWaalsContact O-N 3.14Å; T90-Q93 PolarHBondContact O-N 2.95Å; T90-Q93 VanDerWaalsContact OG1-CG 3.27Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.47Å; T90-Q93 PolarHBondContact OG1-N 2.98Å; T90-Q93 PolarHBondContact OG1-OE1 3.47Å; T90-L94 PolarHBondContact O-N 3.35Å | ||
| 91 | P | 88.8 | Confident | 86.6 | Confident | 96 Ų | 96 | 110.3 Ų | 110.3 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -55.6 | -31.6 | 175.5 | -26.3 | 35.1 | 0 | 0 | 0 | 113.3 | K95 M226 | P91-K95 PolarHBondContact O-N 2.83Å; P91-K95 VanDerWaalsContact O-N 3.09Å; P91-M226 WeakPolarHBondContact O-CE 3.29Å |
| 92 | E | 89.2 | Confident | 87.1 | Confident | 160 Ų | 160 | 107.3 Ų | 107.3 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.1 | -44.6 | 178.1 | -64.4 | -176.9 | 172.2 | 0 | 0 | 112 | T90 L94 K95 L96 | T90-E92 PolarHBondContact O-N 3.33Å; T90-E92 VanDerWaalsContact O-N 3.14Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 3.32Å; E92-K95 WeakPolarHBondContact O-CB 3.31Å; E92-K95 PolarHBondContact O-N 3.5Å; E92-K95 VanDerWaalsContact O-N 3.11Å; E92-L96 PolarHBondContact O-N 3.25Å |
| 93 | Q | 91.8 | Very high | 87.9 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 46% | 0.458 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 173.6 | -73.5 | 168.2 | -20.3 | 0 | 0 | 111 | V89 T90 K95 L96 M97 | V89-Q93 HydrophobicContact CG1-CB 3.43Å; V89-Q93 VanDerWaalsContact CG1-CB 3.43Å; T90-Q93 PolarHBondContact O-N 2.95Å; T90-Q93 VanDerWaalsContact OG1-CG 3.27Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.47Å; T90-Q93 PolarHBondContact OG1-N 2.98Å; T90-Q93 PolarHBondContact OG1-OE1 3.47Å; Q93-K95 VanDerWaalsContact C-N 3.29Å; Q93-K95 PolarHBondContact O-N 2.89Å; Q93-L96 WeakPolarHBondContact O-CB 3.25Å; Q93-L96 PolarHBondContact O-N 3.42Å; Q93-L96 VanDerWaalsContact O-N 3.16Å; Q93-M97 VanDerWaalsContact O-CG 3.32Å; Q93-M97 WeakPolarHBondContact O-CG 3.24Å; Q93-M97 PolarHBondContact O-N 2.96Å |
| 94 | L | 91.4 | Very high | 89 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 32% | 0.319 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 174.5 | -75.1 | 174.5 | 0 | 0 | 0 | 112.4 | V89 T90 E92 R98 M226 | V89-L94 HydrophobicContact CB-CD2 4.03Å; V89-L94 HydrophobicContact CB-CG 3.99Å; V89-L94 HydrophobicContact CG1-CD2 3.81Å; V89-L94 HydrophobicContact CG1-CG 3.65Å; T90-L94 PolarHBondContact O-N 3.35Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 3.32Å; L94-R98 WeakPolarHBondContact O-CB 3.42Å; L94-R98 VanDerWaalsContact O-CG 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å; L94-R98 PolarHBondContact O-N 2.9Å; L94-M226 HydrophobicContact CB-CE 3.65Å |
| 95 | K | 91.8 | Very high | 90.1 | Very high | 77 Ų | 77 | 99.8 Ų | 99.8 | 34% | 0.335 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69 | -37.7 | 177.5 | -170.8 | 170 | -180 | 170.2 | 0 | 111.4 | P91 E92 Q93 T99 K223 M226 D227 | P91-K95 PolarHBondContact O-N 2.83Å; P91-K95 VanDerWaalsContact O-N 3.09Å; E92-K95 WeakPolarHBondContact O-CB 3.31Å; E92-K95 PolarHBondContact O-N 3.5Å; E92-K95 VanDerWaalsContact O-N 3.11Å; Q93-K95 VanDerWaalsContact C-N 3.29Å; Q93-K95 PolarHBondContact O-N 2.89Å; K95-T99 WeakPolarHBondContact O-CB 3.34Å; K95-T99 PolarHBondContact O-N 3.38Å; K95-T99 PolarHBondContact O-OG1 3.31Å; K95-K223 HydrophobicContact CG-CG 4.49Å; K95-M226 HydrophobicContact CB-CE 3.98Å; K95-M226 HydrophobicContact CB-SD 4.03Å; K95-M226 HydrophobicContact CG-SD 4.48Å; K95-D227 IonicContact NZ-OD1 3.69Å; K95-D227 PolarHBondContact NZ-OD1 2.91Å |
| 96 | L | 94.4 | Very high | 91.2 | Very high | 106 Ų | 106 | 96.9 Ų | 96.9 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.8 | -50.2 | 174.1 | -178.5 | 63 | 0 | 0 | 0 | 111.2 | E92 Q93 R98 T99 Q100 | E92-L96 PolarHBondContact O-N 3.25Å; Q93-L96 WeakPolarHBondContact O-CB 3.25Å; Q93-L96 PolarHBondContact O-N 3.42Å; Q93-L96 VanDerWaalsContact O-N 3.16Å; L96-R98 PolarHBondContact O-N 3.27Å; L96-T99 WeakPolarHBondContact O-CA 3.44Å; L96-T99 WeakPolarHBondContact O-CB 3.39Å; L96-T99 PolarHBondContact O-N 3.03Å; L96-Q100 PolarHBondContact O-N 3.39Å |
| 97 | M | 93.8 | Very high | 92.3 | Very high | 98 Ų | 98 | 93 Ų | 93 | 48% | 0.483 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -55.9 | -50.3 | 177 | -68.3 | 175.2 | 79.9 | 0 | 0 | 111.3 | V89 Q93 T99 Q100 D101 | V89-M97 HydrophobicContact CG1-SD 4.18Å; Q93-M97 VanDerWaalsContact O-CG 3.32Å; Q93-M97 WeakPolarHBondContact O-CG 3.24Å; Q93-M97 PolarHBondContact O-N 2.96Å; M97-T99 PolarHBondContact O-N 2.92Å; M97-Q100 WeakPolarHBondContact O-CB 3.4Å; M97-Q100 PolarHBondContact O-N 3.44Å; M97-D101 PolarHBondContact O-N 3.11Å |
| 98 | R | 94.6 | Very high | 93.4 | Very high | 71 Ų | 71 | 88.5 Ų | 88.5 | 27% | 0.268 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -33.7 | 176.5 | -72.3 | 175.4 | -174.2 | 176.8 | 4.8 | 112.8 | L94 L96 D101 V102 I219 R222 K223 M226 | L94-R98 WeakPolarHBondContact O-CB 3.42Å; L94-R98 VanDerWaalsContact O-CG 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å; L94-R98 PolarHBondContact O-N 2.9Å; L96-R98 PolarHBondContact O-N 3.27Å; R98-D101 PolarHBondContact O-N 3.12Å; R98-V102 VanDerWaalsContact O-CG2 3.31Å; R98-V102 WeakPolarHBondContact O-CG2 3.38Å; R98-V102 PolarHBondContact O-N 3.22Å; R98-I219 HydrophobicContact CB-CG2 4.24Å; R98-I219 HydrophobicContact CG-CG2 4.42Å; R98-R222 PolarHBondContact NH1-O 3.33Å; R98-K223 HydrophobicContact CB-CB 4.39Å; R98-M226 PolarHBondContact NH1-SD 3.48Å |
| 99 | T | 95.6 | Very high | 94.2 | Very high | 30 Ų | 30 | 82.5 Ų | 82.5 | 18% | 0.184 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | K95 L96 M97 K103 K223 | K95-T99 WeakPolarHBondContact O-CB 3.34Å; K95-T99 PolarHBondContact O-N 3.38Å; K95-T99 PolarHBondContact O-OG1 3.31Å; L96-T99 WeakPolarHBondContact O-CA 3.44Å; L96-T99 WeakPolarHBondContact O-CB 3.39Å; L96-T99 PolarHBondContact O-N 3.03Å; M97-T99 PolarHBondContact O-N 2.92Å; T99-K103 HydrophobicContact CG2-CD 4.49Å; T99-K103 WeakPolarHBondContact O-CG 3.35Å; T99-K103 PolarHBondContact O-N 2.91Å; T99-K223 VanDerWaalsContact OG1-CE 3.27Å; T99-K223 WeakPolarHBondContact OG1-CE 3.27Å; T99-K223 PolarHBondContact OG1-NZ 3.09Å |
| 100 | Q | 96.3 | Very high | 94.8 | Very high | 114 Ų | 114 | 83.4 Ų | 83.4 | 53% | 0.533 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 173.7 | -65 | 176 | 8.8 | 0 | 0 | 111 | L96 M97 V102 K103 Y104 | L96-Q100 PolarHBondContact O-N 3.39Å; M97-Q100 WeakPolarHBondContact O-CB 3.4Å; M97-Q100 PolarHBondContact O-N 3.44Å; Q100-V102 PolarHBondContact O-N 3.31Å; Q100-K103 PolarHBondContact O-N 2.85Å; Q100-Y104 WeakPolarHBondContact O-CB 3.49Å; Q100-Y104 PolarHBondContact O-N 3.38Å |
| 101 | D | 96.5 | Very high | 95.1 | Very high | 80 Ų | 80 | 82.4 Ų | 82.4 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 178.8 | -67.1 | -25.1 | 0 | 0 | 0 | 112.4 | M97 R98 K103 Y104 I105 I219 | M97-D101 PolarHBondContact O-N 3.11Å; R98-D101 PolarHBondContact O-N 3.12Å; D101-K103 PolarHBondContact O-N 3.38Å; D101-Y104 PolarHBondContact O-N 3.23Å; D101-I105 WeakPolarHBondContact O-CD1 3.36Å; D101-I105 WeakPolarHBondContact O-CG1 3.29Å; D101-I105 PolarHBondContact O-N 3.36Å; D101-I219 HydrophobicContact CB-CD1 4.34Å; D101-I219 HydrophobicContact CB-CG2 4.39Å |
| 102 | V | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | R98 Q100 Y104 I105 E106 I219 | R98-V102 VanDerWaalsContact O-CG2 3.31Å; R98-V102 WeakPolarHBondContact O-CG2 3.38Å; R98-V102 PolarHBondContact O-N 3.22Å; Q100-V102 PolarHBondContact O-N 3.31Å; V102-Y104 VanDerWaalsContact C-N 3.32Å; V102-Y104 PolarHBondContact O-N 2.94Å; V102-I105 PolarHBondContact O-N 3.19Å; V102-E106 HydrophobicContact CG1-CG 4.19Å; V102-E106 WeakPolarHBondContact O-CB 3.28Å; V102-E106 WeakPolarHBondContact O-CG 3.13Å; V102-E106 PolarHBondContact O-N 3.4Å; V102-I219 HydrophobicContact CG2-CB 3.83Å; V102-I219 HydrophobicContact CG2-CG2 3.44Å; V102-I219 VanDerWaalsContact CG2-CG2 3.44Å |
| 103 | K | 97.1 | Very high | 95.9 | Very high | 138 Ų | 138 | 72.5 Ų | 72.5 | 60% | 0.6 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.7 | -42.5 | 179.1 | -74.8 | 179.2 | 177.2 | -173.1 | 0 | 112.1 | T99 Q100 D101 E106 M107 | T99-K103 HydrophobicContact CG2-CD 4.49Å; T99-K103 WeakPolarHBondContact O-CG 3.35Å; T99-K103 PolarHBondContact O-N 2.91Å; Q100-K103 PolarHBondContact O-N 2.85Å; D101-K103 PolarHBondContact O-N 3.38Å; K103-E106 PolarHBondContact O-N 3.49Å; K103-M107 WeakPolarHBondContact O-CB 3.47Å; K103-M107 PolarHBondContact O-N 2.98Å |
| 104 | Y | 97.9 | Very high | 96.2 | Very high | 136 Ų | 136 | 74.5 Ų | 74.5 | 53% | 0.533 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 177.4 | 177 | -97.5 | 0 | 0 | 0 | 111.7 | Q100 D101 V102 M107 K108 | Q100-Y104 WeakPolarHBondContact O-CB 3.49Å; Q100-Y104 PolarHBondContact O-N 3.38Å; D101-Y104 PolarHBondContact O-N 3.23Å; V102-Y104 VanDerWaalsContact C-N 3.32Å; V102-Y104 PolarHBondContact O-N 2.94Å; Y104-M107 HydrophobicContact CD2-CE 3.69Å; Y104-M107 HydrophobicContact CE2-CE 3.84Å; Y104-M107 WeakPolarHBondContact O-CB 3.47Å; Y104-M107 PolarHBondContact O-N 3.25Å; Y104-K108 HydrophobicContact CD1-CG 4.42Å; Y104-K108 HydrophobicContact CE1-CG 4.01Å; Y104-K108 WeakPolarHBondContact O-CG 3.35Å; Y104-K108 PolarHBondContact O-N 2.79Å; Y104-K108 WeakPolarHBondContact OH-CE 3.5Å |
| 105 | I | 97.6 | Very high | 96.4 | Very high | 21 Ų | 21 | 75.9 Ų | 75.9 | 11% | 0.108 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 179.8 | -70 | 160.1 | 0 | 0 | 0 | 110.9 | D101 V102 K108 R109 L212 I215 A216 I219 | D101-I105 WeakPolarHBondContact O-CD1 3.36Å; D101-I105 WeakPolarHBondContact O-CG1 3.29Å; D101-I105 PolarHBondContact O-N 3.36Å; V102-I105 PolarHBondContact O-N 3.19Å; I105-K108 PolarHBondContact O-N 2.98Å; I105-R109 WeakPolarHBondContact O-CB 3.33Å; I105-R109 PolarHBondContact O-N 3.4Å; I105-L212 HydrophobicContact CG2-CB 4.4Å; I105-L212 HydrophobicContact CG2-CD2 4.23Å; I105-I215 HydrophobicContact CD1-CG2 3.64Å; I105-A216 HydrophobicContact CG2-CB 3.9Å; I105-I219 HydrophobicContact CD1-CD1 3.2Å |
| 106 | E | 96.6 | Very high | 96.6 | Very high | 79 Ų | 79 | 72.9 Ų | 72.9 | 37% | 0.369 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 174.7 | -76 | 179.7 | 161.7 | 0 | 0 | 111.7 | V102 K103 K108 R109 V110 | V102-E106 HydrophobicContact CG1-CG 4.19Å; V102-E106 WeakPolarHBondContact O-CB 3.28Å; V102-E106 WeakPolarHBondContact O-CG 3.13Å; V102-E106 PolarHBondContact O-N 3.4Å; K103-E106 PolarHBondContact O-N 3.49Å; E106-K108 VanDerWaalsContact C-N 3.3Å; E106-K108 PolarHBondContact O-N 3.04Å; E106-R109 WeakPolarHBondContact O-CB 3.32Å; E106-R109 PolarHBondContact O-N 3.01Å; E106-R109 VanDerWaalsContact O-N 3.12Å; E106-V110 WeakPolarHBondContact O-CG2 3.37Å; E106-V110 PolarHBondContact O-N 2.83Å |
| 107 | M | 97.8 | Very high | 96.6 | Very high | 102 Ų | 102 | 74.3 Ų | 74.3 | 50% | 0.502 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.5 | -46.3 | 173.4 | 176.9 | -162 | 65.9 | 0 | 0 | 110.9 | K103 Y104 V110 A111 | K103-M107 WeakPolarHBondContact O-CB 3.47Å; K103-M107 PolarHBondContact O-N 2.98Å; Y104-M107 HydrophobicContact CD2-CE 3.69Å; Y104-M107 HydrophobicContact CE2-CE 3.84Å; Y104-M107 WeakPolarHBondContact O-CB 3.47Å; Y104-M107 PolarHBondContact O-N 3.25Å; M107-V110 PolarHBondContact O-N 3.14Å; M107-A111 WeakPolarHBondContact O-CB 3.29Å; M107-A111 PolarHBondContact O-N 3.37Å |
| 108 | K | 98.1 | Very high | 96.6 | Very high | 83 Ų | 83 | 77.7 Ų | 77.7 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -38.9 | 176.6 | -67.3 | -59.8 | -176.3 | -172.7 | 0 | 112.2 | Y104 I105 E106 A111 E112 L212 | Y104-K108 HydrophobicContact CD1-CG 4.42Å; Y104-K108 HydrophobicContact CE1-CG 4.01Å; Y104-K108 WeakPolarHBondContact O-CG 3.35Å; Y104-K108 PolarHBondContact O-N 2.79Å; Y104-K108 WeakPolarHBondContact OH-CE 3.5Å; I105-K108 PolarHBondContact O-N 2.98Å; E106-K108 VanDerWaalsContact C-N 3.3Å; E106-K108 PolarHBondContact O-N 3.04Å; K108-A111 PolarHBondContact O-N 3.31Å; K108-E112 WeakPolarHBondContact O-CG 3.42Å; K108-E112 PolarHBondContact O-N 2.95Å; K108-L212 HydrophobicContact CB-CD1 4.31Å |
| 109 | R | 97.4 | Very high | 96.5 | Very high | 65 Ų | 65 | 75.3 Ų | 75.3 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.2 | -169.9 | -172.8 | 72.7 | -162.5 | 0.8 | 110.9 | I105 E106 A111 E112 A113 E209 L212 | I105-R109 WeakPolarHBondContact O-CB 3.33Å; I105-R109 PolarHBondContact O-N 3.4Å; E106-R109 WeakPolarHBondContact O-CB 3.32Å; E106-R109 PolarHBondContact O-N 3.01Å; E106-R109 VanDerWaalsContact O-N 3.12Å; R109-A111 PolarHBondContact O-N 3.35Å; R109-E112 PolarHBondContact O-N 3.41Å; R109-A113 WeakPolarHBondContact O-CB 3.38Å; R109-A113 PolarHBondContact O-N 3.33Å; R109-E209 HydrophobicContact CG-CG 4.17Å; R109-L212 HydrophobicContact CB-CB 4.3Å; R109-L212 HydrophobicContact CG-CB 4.43Å |
| 110 | V | 97.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 78.7 Ų | 78.7 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111 | E106 M107 E112 A113 K114 | E106-V110 WeakPolarHBondContact O-CG2 3.37Å; E106-V110 PolarHBondContact O-N 2.83Å; M107-V110 PolarHBondContact O-N 3.14Å; V110-E112 VanDerWaalsContact C-N 3.32Å; V110-E112 PolarHBondContact O-N 2.91Å; V110-A113 PolarHBondContact O-N 3.34Å; V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.26Å |
| 111 | A | 97.6 | Very high | 96 | Very high | 40 Ų | 40 | 77.8 Ų | 77.8 | 33% | 0.331 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | M107 K108 R109 K115 | M107-A111 WeakPolarHBondContact O-CB 3.29Å; M107-A111 PolarHBondContact O-N 3.37Å; K108-A111 PolarHBondContact O-N 3.31Å; R109-A111 PolarHBondContact O-N 3.35Å; A111-K115 VanDerWaalsContact O-CG 3.31Å; A111-K115 WeakPolarHBondContact O-CG 3.34Å; A111-K115 PolarHBondContact O-N 3.18Å |
| 112 | E | 97.4 | Very high | 95.7 | Very high | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.037 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -71.1 | -39.8 | 174.7 | -72.4 | -57.2 | 127.9 | 0 | 0 | 112.3 | K108 R109 V110 K114 K115 I116 R205 L212 | K108-E112 WeakPolarHBondContact O-CG 3.42Å; K108-E112 PolarHBondContact O-N 2.95Å; R109-E112 PolarHBondContact O-N 3.41Å; V110-E112 VanDerWaalsContact C-N 3.32Å; V110-E112 PolarHBondContact O-N 2.91Å; E112-K114 PolarHBondContact O-N 3.39Å; E112-K115 PolarHBondContact O-N 3.04Å; E112-K115 VanDerWaalsContact O-N 3.13Å; E112-K115 IonicContact OE1-NZ 3.39Å; E112-K115 PolarHBondContact OE1-NZ 2.86Å; E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.34Å; E112-I116 PolarHBondContact O-N 3.4Å; E112-R205 IonicContact OE1-NH1 2.68Å; E112-R205 PolarHBondContact OE1-NH1 3.44Å; E112-R205 IonicContact OE2-CZ 3.03Å; E112-R205 IonicContact OE2-NH1 3.73Å; E112-R205 PolarHBondContact OE2-NH1 3.14Å; E112-L212 HydrophobicContact CG-CD1 4.19Å |
| 113 | A | 97 | Very high | 95.2 | Very high | 41 Ų | 41 | 79.8 Ų | 79.8 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -45.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R109 V110 K115 I116 E117 | R109-A113 WeakPolarHBondContact O-CB 3.38Å; R109-A113 PolarHBondContact O-N 3.33Å; V110-A113 PolarHBondContact O-N 3.34Å; A113-K115 VanDerWaalsContact C-N 3.33Å; A113-K115 PolarHBondContact O-N 2.84Å; A113-I116 WeakPolarHBondContact O-CB 3.27Å; A113-I116 PolarHBondContact O-N 2.88Å; A113-E117 WeakPolarHBondContact O-CB 3.44Å; A113-E117 PolarHBondContact O-N 2.88Å |
| 114 | K | 97.3 | Very high | 94.4 | Very high | 139 Ų | 139 | 80.7 Ų | 80.7 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.6 | -37.8 | 174.8 | -71 | -175.8 | 178.6 | -171.8 | 0 | 112.8 | V110 E112 E117 R118 | V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.26Å; E112-K114 PolarHBondContact O-N 3.39Å; K114-E117 PolarHBondContact O-N 2.99Å; K114-R118 WeakPolarHBondContact O-CB 3.47Å; K114-R118 PolarHBondContact O-N 3.46Å |
| 115 | K | 96.2 | Very high | 93.6 | Very high | 90 Ų | 90 | 76.4 Ų | 76.4 | 39% | 0.391 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 175.5 | -68.9 | 173 | -161.6 | 167.9 | 0 | 112 | A111 E112 A113 L119 | A111-K115 VanDerWaalsContact O-CG 3.31Å; A111-K115 WeakPolarHBondContact O-CG 3.34Å; A111-K115 PolarHBondContact O-N 3.18Å; E112-K115 PolarHBondContact O-N 3.04Å; E112-K115 VanDerWaalsContact O-N 3.13Å; E112-K115 IonicContact OE1-NZ 3.39Å; E112-K115 PolarHBondContact OE1-NZ 2.86Å; A113-K115 VanDerWaalsContact C-N 3.33Å; A113-K115 PolarHBondContact O-N 2.84Å; K115-L119 WeakPolarHBondContact O-CB 3.42Å; K115-L119 WeakPolarHBondContact O-CG 3.23Å; K115-L119 PolarHBondContact O-N 3.19Å |
| 116 | I | 95.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 78.8 Ų | 78.8 | 7% | 0.072 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.8 | -69.7 | 164.4 | 0 | 0 | 0 | 109.8 | E112 A113 L119 K120 L202 R205 I206 E209 | E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.34Å; E112-I116 PolarHBondContact O-N 3.4Å; A113-I116 WeakPolarHBondContact O-CB 3.27Å; A113-I116 PolarHBondContact O-N 2.88Å; I116-L119 PolarHBondContact O-N 3.13Å; I116-K120 HydrophobicContact CG2-CD 3.98Å; I116-K120 HydrophobicContact CG2-CG 4.3Å; I116-K120 WeakPolarHBondContact O-CB 3.31Å; I116-K120 VanDerWaalsContact O-CG 3.29Å; I116-K120 WeakPolarHBondContact O-CG 3.44Å; I116-K120 PolarHBondContact O-N 3.43Å; I116-L202 HydrophobicContact CG2-CD1 4.01Å; I116-R205 HydrophobicContact CD1-CB 4.21Å; I116-R205 HydrophobicContact CG1-CB 3.7Å; I116-I206 HydrophobicContact CD1-CG1 4.26Å; I116-I206 HydrophobicContact CG1-CG1 4.47Å; I116-I206 HydrophobicContact CG2-CG1 4.13Å; I116-E209 HydrophobicContact CD1-CB 3.69Å; I116-E209 HydrophobicContact CD1-CG 4.12Å |
| 117 | E | 95.1 | Very high | 91.3 | Very high | 136 Ų | 136 | 78.7 Ų | 78.7 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.8 | -49.8 | 177.9 | -172.5 | -177.2 | 177.2 | 0 | 0 | 111.4 | A113 K114 L119 K120 S121 | A113-E117 WeakPolarHBondContact O-CB 3.44Å; A113-E117 PolarHBondContact O-N 2.88Å; K114-E117 PolarHBondContact O-N 2.99Å; E117-L119 PolarHBondContact O-N 3.43Å; E117-K120 CarbonylContact O-C 3.56Å; E117-K120 WeakPolarHBondContact O-CB 3.44Å; E117-K120 PolarHBondContact O-N 2.88Å; E117-K120 VanDerWaalsContact O-N 3.15Å; E117-S121 PolarHBondContact O-N 3.15Å; E117-S121 PolarHBondContact O-OG 3.44Å |
| 118 | R | 94.7 | Very high | 90.2 | Very high | 170 Ų | 170 | 76.3 Ų | 76.3 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.8 | -45.3 | 175.9 | -177.3 | 175.9 | 176.8 | 160.4 | 3.7 | 112.9 | K114 K120 S121 E122 | K114-R118 WeakPolarHBondContact O-CB 3.47Å; K114-R118 PolarHBondContact O-N 3.46Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-K120 PolarHBondContact O-N 2.74Å; R118-S121 WeakPolarHBondContact CA-OG 3.37Å; R118-S121 PolarHBondContact O-N 3.18Å; R118-S121 PolarHBondContact O-OG 2.76Å; R118-E122 WeakPolarHBondContact CG-OE1 3.4Å; R118-E122 IonicContact CZ-OE1 3.25Å; R118-E122 IonicContact NE-OE1 2.79Å; R118-E122 PolarHBondContact NE-OE1 3.46Å; R118-E122 IonicContact NH2-OE1 2.82Å; R118-E122 WeakPolarHBondContact O-CG 2.92Å; R118-E122 PolarHBondContact O-N 3.3Å |
| 119 | L | 92.2 | Very high | 88.7 | Confident | 21 Ų | 21 | 81.7 Ų | 81.7 | 11% | 0.11 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 176.7 | -75.6 | 170.6 | 0 | 0 | 0 | 111.8 | K115 I116 E117 S121 E122 L123 L202 R205 | K115-L119 WeakPolarHBondContact O-CB 3.42Å; K115-L119 WeakPolarHBondContact O-CG 3.23Å; K115-L119 PolarHBondContact O-N 3.19Å; I116-L119 PolarHBondContact O-N 3.13Å; E117-L119 PolarHBondContact O-N 3.43Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-E122 PolarHBondContact O-N 2.98Å; L119-L123 HydrophobicContact CB-CD1 4.45Å; L119-L123 VanDerWaalsContact O-CB 3.24Å; L119-L123 WeakPolarHBondContact O-CB 3.23Å; L119-L123 WeakPolarHBondContact O-CD1 3.49Å; L119-L123 WeakPolarHBondContact O-CG 3.2Å; L119-L123 PolarHBondContact O-N 3.02Å; L119-L202 HydrophobicContact CB-CD1 4.11Å; L119-R205 VanDerWaalsContact CD1-CD 3.42Å |
| 120 | K | 90.8 | Very high | 87.2 | Confident | 101 Ų | 101 | 81.4 Ų | 81.4 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 174.7 | -77.5 | -179.7 | 177.5 | -176.2 | 0 | 112.4 | I116 E117 R118 L202 | I116-K120 HydrophobicContact CG2-CD 3.98Å; I116-K120 HydrophobicContact CG2-CG 4.3Å; I116-K120 WeakPolarHBondContact O-CB 3.31Å; I116-K120 VanDerWaalsContact O-CG 3.29Å; I116-K120 WeakPolarHBondContact O-CG 3.44Å; I116-K120 PolarHBondContact O-N 3.43Å; E117-K120 CarbonylContact O-C 3.56Å; E117-K120 WeakPolarHBondContact O-CB 3.44Å; E117-K120 PolarHBondContact O-N 2.88Å; E117-K120 VanDerWaalsContact O-N 3.15Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-K120 PolarHBondContact O-N 2.74Å; K120-L202 HydrophobicContact CG-CD1 3.95Å; K120-L202 HydrophobicContact CG-CD2 4.19Å |
| 121 | S | 90.1 | Very high | 85.9 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 66% | 0.657 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.9 | -34.5 | 174.7 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | E117 R118 L119 | E117-S121 PolarHBondContact O-N 3.15Å; E117-S121 PolarHBondContact O-OG 3.44Å; R118-S121 WeakPolarHBondContact CA-OG 3.37Å; R118-S121 PolarHBondContact O-N 3.18Å; R118-S121 PolarHBondContact O-OG 2.76Å; L119-S121 VanDerWaalsContact C-N 3.34Å |
| 122 | E | 89.4 | Confident | 84.7 | Confident | 106 Ų | 106 | 88.3 Ų | 88.3 | 50% | 0.495 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -75.8 | -32.2 | 177.4 | -69.6 | 170.5 | -168.4 | 0 | 0 | 112 | R118 L119 | R118-E122 WeakPolarHBondContact CG-OE1 3.4Å; R118-E122 IonicContact CZ-OE1 3.25Å; R118-E122 IonicContact NE-OE1 2.79Å; R118-E122 PolarHBondContact NE-OE1 3.46Å; R118-E122 IonicContact NH2-OE1 2.82Å; R118-E122 WeakPolarHBondContact O-CG 2.92Å; R118-E122 PolarHBondContact O-N 3.3Å; L119-E122 PolarHBondContact O-N 2.98Å |
| 123 | L | 86.6 | Confident | 83.9 | Confident | 21 Ų | 21 | 95.8 Ų | 95.8 | 11% | 0.11 | 47% | 0.473 | C | S | . | . | trans | -91.3 | 122.5 | 178.8 | -72.7 | 158.1 | 0 | 0 | 0 | 111.1 | L119 L125 Q198 Y199 L202 | L119-L123 HydrophobicContact CB-CD1 4.45Å; L119-L123 VanDerWaalsContact O-CB 3.24Å; L119-L123 WeakPolarHBondContact O-CB 3.23Å; L119-L123 WeakPolarHBondContact O-CD1 3.49Å; L119-L123 WeakPolarHBondContact O-CG 3.2Å; L119-L123 PolarHBondContact O-N 3.02Å; L123-L125 HydrophobicContact CB-CD2 4.13Å; L123-L125 PolarHBondContact O-N 3.35Å; L123-Q198 HydrophobicContact CD1-CB 4.22Å; L123-Q198 HydrophobicContact CD2-CB 3.77Å; L123-Q198 HydrophobicContact CG-CB 4.45Å; L123-Y199 HydrophobicContact CB-CE1 4.47Å; L123-Y199 HydrophobicContact CD1-CD1 4.43Å; L123-Y199 HydrophobicContact CD2-CD1 4.39Å; L123-Y199 HydrophobicContact CD2-CE1 4.11Å; L123-L202 HydrophobicContact CD1-CB 4.23Å; L123-L202 HydrophobicContact CD1-CD2 3.95Å | ||
| 124 | H | 79.8 | Confident | 83.2 | Confident | 158 Ų | 158 | 100.5 Ų | 100.5 | 73% | 0.731 | 49% | 0.492 | S | S | * | . | trans | -65.9 | -6.4 | 174.5 | -57.5 | -67.6 | 0 | 0 | 0 | 114.4 | L126 | H124-L126 HydrophobicContact CB-CD1 3.73Å; H124-L126 HydrophobicContact CB-CG 3.77Å; H124-L126 PolarHBondContact O-N 2.83Å | ||
| 125 | L | 81.3 | Confident | 82.8 | Confident | 46 Ų | 46 | 103.5 Ų | 103.5 | 24% | 0.241 | 51% | 0.506 | C | S | . | . | trans | 56.1 | 5 | -178.2 | -57.5 | 176 | 0 | 0 | 0 | 115.1 | L123 D127 F128 K131 Y199 L202 | L123-L125 HydrophobicContact CB-CD2 4.13Å; L123-L125 PolarHBondContact O-N 3.35Å; L125-D127 VanDerWaalsContact C-N 3.35Å; L125-D127 PolarHBondContact O-N 3.46Å; L125-F128 HydrophobicContact CB-CB 4.47Å; L125-F128 WeakPolarHBondContact O-CB 3.47Å; L125-F128 PolarHBondContact O-N 3.34Å; L125-K131 VanDerWaalsContact C-CE 3.48Å; L125-K131 VanDerWaalsContact O-CD 3.22Å; L125-K131 WeakPolarHBondContact O-CD 3.49Å; L125-K131 WeakPolarHBondContact O-CE 3.47Å; L125-K131 PolarHBondContact O-NZ 3.37Å; L125-Y199 VanDerWaalsContact C-OH 3.28Å; L125-Y199 VanDerWaalsContact CA-OH 3.25Å; L125-Y199 WeakPolarHBondContact CA-OH 3.41Å; L125-Y199 HydrophobicContact CD2-CE1 3.97Å; L125-Y199 PolarHBondContact N-OH 3.38Å; L125-L202 HydrophobicContact CD2-CD2 3.73Å | ||
| 126 | L | 76.6 | Confident | 82.5 | Confident | 71 Ų | 71 | 106.3 Ų | 106.3 | 37% | 0.372 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -47.1 | -169.2 | -68.1 | 169.1 | 0 | 0 | 0 | 113.7 | H124 K131 F166 Y199 | H124-L126 HydrophobicContact CB-CD1 3.73Å; H124-L126 HydrophobicContact CB-CG 3.77Å; H124-L126 PolarHBondContact O-N 2.83Å; L126-K131 PolarHBondContact O-NZ 3.44Å; L126-F166 HydrophobicContact CB-CD1 3.88Å; L126-F166 HydrophobicContact CB-CD2 4.31Å; L126-F166 HydrophobicContact CB-CE1 3.61Å; L126-F166 HydrophobicContact CB-CE2 4Å; L126-F166 HydrophobicContact CB-CG 4.24Å; L126-F166 HydrophobicContact CB-CZ 3.66Å; L126-F166 HydrophobicContact CD1-CD2 3.62Å; L126-F166 HydrophobicContact CD1-CE2 3.68Å; L126-F166 HydrophobicContact CD1-CG 4.06Å; L126-F166 HydrophobicContact CD1-CZ 4.25Å; L126-F166 HydrophobicContact CD2-CB 3.95Å; L126-F166 HydrophobicContact CD2-CD1 3.95Å; L126-F166 HydrophobicContact CD2-CD2 4.22Å; L126-F166 HydrophobicContact CD2-CG 3.77Å; L126-F166 HydrophobicContact CG-CD1 4.31Å; L126-F166 HydrophobicContact CG-CD2 4.24Å; L126-F166 HydrophobicContact CG-CE1 4.46Å; L126-F166 HydrophobicContact CG-CE2 4.31Å; L126-F166 HydrophobicContact CG-CG 4.22Å; L126-F166 HydrophobicContact CG-CZ 4.45Å; L126-Y199 PolarHBondContact N-OH 3.03Å |
| 127 | D | 70.2 | Confident | 82.4 | Confident | 76 Ų | 76 | 110.1 Ų | 110.1 | 41% | 0.406 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 13.9 | -177.9 | -52.6 | -39.5 | 0 | 0 | 0 | 113.8 | L125 Q129 F166 R195 | L125-D127 VanDerWaalsContact C-N 3.35Å; L125-D127 PolarHBondContact O-N 3.46Å; D127-Q129 PolarHBondContact O-N 3.21Å; D127-F166 VanDerWaalsContact OD1-CE1 3.32Å; D127-F166 WeakPolarHBondContact OD1-CE1 3.34Å; D127-F166 VanDerWaalsContact OD1-CZ 3.22Å; D127-F166 WeakPolarHBondContact OD1-CZ 3.31Å; D127-R195 IonicContact OD2-CZ 2.76Å; D127-R195 IonicContact OD2-NH1 2.97Å; D127-R195 PolarHBondContact OD2-NH1 2.91Å |
| 128 | F | 73.9 | Confident | 82.2 | Confident | 52 Ų | 52 | 106.5 Ų | 106.5 | 23% | 0.228 | 53% | 0.526 | C | S | . | . | trans | -75.1 | 116.7 | -176.3 | -171.9 | -108.4 | 0 | 0 | 0 | 111 | L125 G130 K131 Y199 | L125-F128 HydrophobicContact CB-CB 4.47Å; L125-F128 WeakPolarHBondContact O-CB 3.47Å; L125-F128 PolarHBondContact O-N 3.34Å; F128-G130 PolarHBondContact O-N 2.97Å; F128-G130 VanDerWaalsContact O-N 3.1Å; F128-K131 HydrophobicContact CB-CG 4.42Å; F128-K131 WeakPolarHBondContact O-CB 3.32Å; F128-K131 WeakPolarHBondContact O-CG 3.45Å; F128-K131 PolarHBondContact O-N 3.17Å; F128-K131 VanDerWaalsContact O-N 3.1Å; F128-Y199 HydrophobicContact CB-CD1 4.24Å; F128-Y199 HydrophobicContact CB-CE1 3.84Å; F128-Y199 AromaticContact CD2-CD1 3.46Å; F128-Y199 HydrophobicContact CD2-CD1 3.46Å; F128-Y199 VanDerWaalsContact CD2-CD1 3.46Å; F128-Y199 AromaticContact CD2-CE1 3.95Å; F128-Y199 HydrophobicContact CD2-CE1 3.95Å; F128-Y199 HydrophobicContact CD2-CG 4.12Å; F128-Y199 HydrophobicContact CE2-CD1 4.24Å; F128-Y199 HydrophobicContact CG-CD1 4.23Å; F128-Y199 HydrophobicContact CG-CE1 4.27Å | ||
| 129 | Q | 67.3 | Low | 82.2 | Confident | 196 Ų | 196 | 107.1 Ų | 107.1 | 92% | 0.916 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.6 | -178.1 | -70.5 | 179.2 | -18.9 | 0 | 0 | 114.4 | D127 K131 | D127-Q129 PolarHBondContact O-N 3.21Å; Q129-K131 VanDerWaalsContact C-N 3.27Å; Q129-K131 PolarHBondContact O-N 3.13Å |
| 130 | G | 65.2 | Low | 82.2 | Confident | 59 Ų | 59 | 109 Ų | 109 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 14.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | F128 | F128-G130 PolarHBondContact O-N 2.97Å; F128-G130 VanDerWaalsContact O-N 3.1Å |
| 131 | K | 70.2 | Confident | 82.4 | Confident | 85 Ų | 85 | 112 Ų | 112 | 37% | 0.37 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -73 | 147.2 | 175.5 | -86.7 | -179 | 155.6 | 175.7 | 0 | 111.9 | L125 L126 F128 Q129 Q133 | L125-K131 VanDerWaalsContact C-CE 3.48Å; L125-K131 VanDerWaalsContact O-CD 3.22Å; L125-K131 WeakPolarHBondContact O-CD 3.49Å; L125-K131 WeakPolarHBondContact O-CE 3.47Å; L125-K131 PolarHBondContact O-NZ 3.37Å; L126-K131 PolarHBondContact O-NZ 3.44Å; F128-K131 HydrophobicContact CB-CG 4.42Å; F128-K131 WeakPolarHBondContact O-CB 3.32Å; F128-K131 WeakPolarHBondContact O-CG 3.45Å; F128-K131 PolarHBondContact O-N 3.17Å; F128-K131 VanDerWaalsContact O-N 3.1Å; Q129-K131 VanDerWaalsContact C-N 3.27Å; Q129-K131 PolarHBondContact O-N 3.13Å; K131-Q133 PolarHBondContact O-N 2.7Å |
| 132 | Q | 72.8 | Confident | 82.6 | Confident | 170 Ų | 170 | 110.6 Ų | 110.6 | 79% | 0.794 | 55% | 0.549 | S | S | * | . | trans | -65.8 | 127.5 | 166.9 | -173.6 | 170.8 | -28.9 | 0 | 0 | 108.9 | N134 | Q132-N134 PolarHBondContact O-N 2.86Š| ||
| 133 | Q | 79.9 | Confident | 82.8 | Confident | 166 Ų | 166 | 114 Ų | 114 | 78% | 0.776 | 56% | 0.563 | S | S | * | * | trans | -70.5 | 111.6 | 175.9 | -64.7 | -67.2 | -13.7 | 0 | 0 | 108.4 | K131 | K131-Q133 PolarHBondContact O-N 2.7Š| ||
| 134 | N | 83.2 | Confident | 83.1 | Confident | 139 Ų | 139 | 120.6 Ų | 120.6 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | trans | -85.4 | 139.8 | 176.8 | -70.3 | -11.1 | 0 | 0 | 0 | 109.6 | Q132 | Q132-N134 PolarHBondContact O-N 2.86Š| ||
| 135 | K | 88.9 | Confident | 83.5 | Confident | 203 Ų | 203 | 117 Ų | 117 | 88% | 0.883 | 57% | 0.574 | S | S | * | * | trans | -92.8 | 127.8 | 175.7 | -63.7 | -178.1 | 179.1 | -177.4 | 0 | 109.1 | ||||
| 136 | H | 89 | Confident | 83.9 | Confident | 148 Ų | 148 | 119 Ų | 119 | 69% | 0.685 | 59% | 0.588 | S | S | * | * | trans | -107.5 | 121.6 | 170.3 | -170.3 | -86.1 | 0 | 0 | 0 | 108.5 | F138 | H136-F138 AromaticContact CE1-CD1 4Å; H136-F138 AromaticContact CE1-CE1 3.49Å; H136-F138 VanDerWaalsContact CE1-CE1 3.49Å; H136-F138 WeakPolarHBondContact CE1-CE1 3.35Å; H136-F138 AromaticContact CE1-CZ 3.58Å; H136-F138 AromaticContact ND1-CD2 3.98Å; H136-F138 AromaticContact ND1-CE1 3.7Å; H136-F138 AromaticContact ND1-CE2 3.49Å; H136-F138 WeakPolarHBondContact ND1-CE2 3.34Å; H136-F138 AromaticContact ND1-CZ 3.34Å; H136-F138 VanDerWaalsContact ND1-CZ 3.34Å; H136-F138 WeakPolarHBondContact ND1-CZ 3.34Å | ||
| 137 | V | 92.4 | Very high | 84.6 | Confident | 94 Ų | 94 | 123.5 Ų | 123.5 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | trans | -109.6 | 129.4 | -175.6 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | F139 | V137-F139 HydrophobicContact CG1-CE1 4.29Å; V137-F139 HydrophobicContact CG1-CE2 4.37Å; V137-F139 HydrophobicContact CG1-CZ 4.07Å | ||
| 138 | F | 92 | Very high | 85.7 | Confident | 60 Ų | 60 | 127.9 Ų | 127.9 | 26% | 0.263 | 63% | 0.625 | S | S | . | * | trans | -98.1 | 140.7 | 173.1 | -63.8 | -83.7 | 0 | 0 | 0 | 109.3 | H136 F140 F149 L155 | H136-F138 AromaticContact CE1-CD1 4Å; H136-F138 AromaticContact CE1-CE1 3.49Å; H136-F138 VanDerWaalsContact CE1-CE1 3.49Å; H136-F138 WeakPolarHBondContact CE1-CE1 3.35Å; H136-F138 AromaticContact CE1-CZ 3.58Å; H136-F138 AromaticContact ND1-CD2 3.98Å; H136-F138 AromaticContact ND1-CE1 3.7Å; H136-F138 AromaticContact ND1-CE2 3.49Å; H136-F138 WeakPolarHBondContact ND1-CE2 3.34Å; H136-F138 AromaticContact ND1-CZ 3.34Å; H136-F138 VanDerWaalsContact ND1-CZ 3.34Å; H136-F138 WeakPolarHBondContact ND1-CZ 3.34Å; F138-F140 HydrophobicContact CB-CD2 4.48Å; F138-F140 HydrophobicContact CB-CE2 3.55Å; F138-F140 HydrophobicContact CB-CZ 3.94Å; F138-F149 HydrophobicContact CB-CZ 4.19Å; F138-F149 HydrophobicContact CD1-CZ 4.19Å; F138-F149 AromaticContact CD2-CE1 3.85Å; F138-F149 HydrophobicContact CD2-CE1 3.85Å; F138-F149 AromaticContact CD2-CZ 3.61Å; F138-F149 HydrophobicContact CD2-CZ 3.61Å; F138-F149 HydrophobicContact CE1-CZ 4.49Å; F138-F149 HydrophobicContact CE2-CE1 4.34Å; F138-F149 AromaticContact CE2-CZ 3.96Å; F138-F149 HydrophobicContact CE2-CZ 3.96Å; F138-F149 HydrophobicContact CG-CE1 4.28Å; F138-F149 AromaticContact CG-CZ 3.74Å; F138-F149 HydrophobicContact CG-CZ 3.74Å; F138-F149 HydrophobicContact CZ-CZ 4.38Å; F138-L155 HydrophobicContact CE1-CD2 4.33Å; F138-L155 HydrophobicContact CZ-CD2 4.44Å | ||
| 139 | F | 94.1 | Very high | 86.5 | Confident | 183 Ų | 183 | 128.3 Ų | 128.3 | 80% | 0.803 | 63% | 0.627 | S | S | * | * | trans | -112.1 | 136.7 | 179.2 | -62 | -84.1 | 0 | 0 | 0 | 109.1 | V137 | V137-F139 HydrophobicContact CG1-CE1 4.29Å; V137-F139 HydrophobicContact CG1-CE2 4.37Å; V137-F139 HydrophobicContact CG1-CZ 4.07Å | ||
| 140 | F | 93.4 | Very high | 87.7 | Confident | 60 Ų | 60 | 122.7 Ų | 122.7 | 26% | 0.263 | 60% | 0.603 | S | S | . | * | trans | -133.4 | 148.3 | 179.7 | -64.7 | -77.8 | 0 | 0 | 0 | 109.2 | F138 E145 V146 F149 | F138-F140 HydrophobicContact CB-CD2 4.48Å; F138-F140 HydrophobicContact CB-CE2 3.55Å; F138-F140 HydrophobicContact CB-CZ 3.94Å; F140-E145 HydrophobicContact CB-CB 4.11Å; F140-E145 HydrophobicContact CD1-CB 3.99Å; F140-E145 HydrophobicContact CG-CB 4.23Å; F140-V146 HydrophobicContact CB-CG2 3.86Å; F140-V146 HydrophobicContact CD2-CG2 4.06Å; F140-V146 HydrophobicContact CG-CG2 4.26Å; F140-F149 AromaticContact CE1-CD2 3.93Å; F140-F149 HydrophobicContact CE1-CD2 3.93Å; F140-F149 HydrophobicContact CE1-CE2 4.23Å; F140-F149 HydrophobicContact CE2-CB 4.49Å; F140-F149 HydrophobicContact CE2-CD1 4.3Å; F140-F149 AromaticContact CE2-CD2 3.73Å; F140-F149 HydrophobicContact CE2-CD2 3.73Å; F140-F149 HydrophobicContact CE2-CE1 4.48Å; F140-F149 AromaticContact CE2-CE2 3.97Å; F140-F149 HydrophobicContact CE2-CE2 3.97Å; F140-F149 AromaticContact CE2-CG 3.91Å; F140-F149 HydrophobicContact CE2-CG 3.91Å; F140-F149 HydrophobicContact CE2-CZ 4.32Å; F140-F149 AromaticContact CZ-CD2 3.18Å; F140-F149 HydrophobicContact CZ-CD2 3.18Å; F140-F149 AromaticContact CZ-CE2 3.29Å; F140-F149 HydrophobicContact CZ-CE2 3.29Å; F140-F149 AromaticContact CZ-CG 3.84Å; F140-F149 HydrophobicContact CZ-CG 3.84Å; F140-F149 HydrophobicContact CZ-CZ 4.02Å | ||
| 141 | D | 93.4 | Very high | 88.9 | Confident | 164 Ų | 164 | 121.8 Ų | 121.8 | 88% | 0.877 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -82.8 | -30.8 | -175.9 | -68.1 | -28.5 | 0 | 0 | 0 | 111.4 | ||
| 142 | T | 95.7 | Very high | 89.9 | Confident | 65 Ų | 65 | 118.5 Ų | 118.5 | 40% | 0.399 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -119.2 | 149.4 | -179 | 74.6 | 0 | 0 | 0 | 0 | 113.2 | K144 E145 | T142-K144 VanDerWaalsContact C-N 3.27Å; T142-K144 PolarHBondContact O-N 3.46Å; T142-E145 PolarHBondContact O-N 3.1Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.42Å; T142-E145 PolarHBondContact OG1-N 2.89Å; T142-E145 PolarHBondContact OG1-OE1 3.36Å |
| 143 | K | 93 | Very high | 90.8 | Very high | 179 Ų | 179 | 115.2 Ų | 115.2 | 78% | 0.778 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.6 | -29.8 | 177.5 | -65.8 | -176.2 | -179.8 | 179.7 | 0 | 113 | E145 V146 E147 | K143-E145 VanDerWaalsContact C-N 3.34Å; K143-V146 WeakPolarHBondContact O-CB 3.45Å; K143-V146 PolarHBondContact O-N 3Å; K143-E147 PolarHBondContact O-N 3.17Å |
| 144 | K | 92.2 | Very high | 91.3 | Very high | 159 Ų | 159 | 111.9 Ų | 111.9 | 69% | 0.691 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.6 | -36.8 | 178.7 | -65.7 | -176.1 | 179.1 | -179 | 0 | 111.8 | T142 V146 E147 Q148 | T142-K144 VanDerWaalsContact C-N 3.27Å; T142-K144 PolarHBondContact O-N 3.46Å; K144-V146 VanDerWaalsContact C-N 3.32Å; K144-E147 PolarHBondContact O-N 3.41Å; K144-Q148 PolarHBondContact O-N 3.23Å |
| 145 | E | 89.3 | Confident | 91.7 | Very high | 83 Ų | 83 | 107.5 Ų | 107.5 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -37.9 | 174.4 | -73.7 | 156.6 | -140.5 | 0 | 0 | 111.9 | F140 T142 K143 E147 Q148 F149 | F140-E145 HydrophobicContact CB-CB 4.11Å; F140-E145 HydrophobicContact CD1-CB 3.99Å; F140-E145 HydrophobicContact CG-CB 4.23Å; T142-E145 PolarHBondContact O-N 3.1Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.42Å; T142-E145 PolarHBondContact OG1-N 2.89Å; T142-E145 PolarHBondContact OG1-OE1 3.36Å; K143-E145 VanDerWaalsContact C-N 3.34Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.88Å; E145-Q148 PolarHBondContact O-N 2.79Å; E145-F149 WeakPolarHBondContact O-CB 3.18Å; E145-F149 PolarHBondContact O-N 2.86Å; E145-F149 VanDerWaalsContact O-N 3.11Å |
| 146 | V | 90.3 | Very high | 91.9 | Very high | 88 Ų | 88 | 102 Ų | 102 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -40.6 | 177.1 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | F140 K143 K144 F149 | F140-V146 HydrophobicContact CB-CG2 3.86Å; F140-V146 HydrophobicContact CD2-CG2 4.06Å; F140-V146 HydrophobicContact CG-CG2 4.26Å; K143-V146 WeakPolarHBondContact O-CB 3.45Å; K143-V146 PolarHBondContact O-N 3Å; K144-V146 VanDerWaalsContact C-N 3.32Å; V146-F149 WeakPolarHBondContact O-CB 3.43Å; V146-F149 PolarHBondContact O-N 3.4Å |
| 147 | E | 90.8 | Very high | 92.1 | Very high | 164 Ų | 164 | 95.2 Ų | 95.2 | 77% | 0.766 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70 | -31.7 | -179.6 | -70.7 | 174.7 | -176.8 | 0 | 0 | 113.1 | K143 K144 E145 | K143-E147 PolarHBondContact O-N 3.17Å; K144-E147 PolarHBondContact O-N 3.41Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.88Å |
| 148 | Q | 92.4 | Very high | 92 | Very high | 168 Ų | 168 | 92 Ų | 92 | 79% | 0.785 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.6 | 179.6 | -65.4 | 178.4 | -6.4 | 0 | 0 | 113.2 | K144 E145 D150 | K144-Q148 PolarHBondContact O-N 3.23Å; E145-Q148 PolarHBondContact O-N 2.79Å; Q148-D150 PolarHBondContact O-N 3.46Å |
| 149 | F | 90.9 | Very high | 91.9 | Very high | 62 Ų | 62 | 94 Ų | 94 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | trans | -69.3 | 118 | -171.6 | 177.9 | -115.1 | 0 | 0 | 0 | 112.1 | F138 F140 E145 V146 V151 H154 | F138-F149 HydrophobicContact CB-CZ 4.19Å; F138-F149 HydrophobicContact CD1-CZ 4.19Å; F138-F149 AromaticContact CD2-CE1 3.85Å; F138-F149 HydrophobicContact CD2-CE1 3.85Å; F138-F149 AromaticContact CD2-CZ 3.61Å; F138-F149 HydrophobicContact CD2-CZ 3.61Å; F138-F149 HydrophobicContact CE1-CZ 4.49Å; F138-F149 HydrophobicContact CE2-CE1 4.34Å; F138-F149 AromaticContact CE2-CZ 3.96Å; F138-F149 HydrophobicContact CE2-CZ 3.96Å; F138-F149 HydrophobicContact CG-CE1 4.28Å; F138-F149 AromaticContact CG-CZ 3.74Å; F138-F149 HydrophobicContact CG-CZ 3.74Å; F138-F149 HydrophobicContact CZ-CZ 4.38Å; F140-F149 AromaticContact CE1-CD2 3.93Å; F140-F149 HydrophobicContact CE1-CD2 3.93Å; F140-F149 HydrophobicContact CE1-CE2 4.23Å; F140-F149 HydrophobicContact CE2-CB 4.49Å; F140-F149 HydrophobicContact CE2-CD1 4.3Å; F140-F149 AromaticContact CE2-CD2 3.73Å; F140-F149 HydrophobicContact CE2-CD2 3.73Å; F140-F149 HydrophobicContact CE2-CE1 4.48Å; F140-F149 AromaticContact CE2-CE2 3.97Å; F140-F149 HydrophobicContact CE2-CE2 3.97Å; F140-F149 AromaticContact CE2-CG 3.91Å; F140-F149 HydrophobicContact CE2-CG 3.91Å; F140-F149 HydrophobicContact CE2-CZ 4.32Å; F140-F149 AromaticContact CZ-CD2 3.18Å; F140-F149 HydrophobicContact CZ-CD2 3.18Å; F140-F149 AromaticContact CZ-CE2 3.29Å; F140-F149 HydrophobicContact CZ-CE2 3.29Å; F140-F149 AromaticContact CZ-CG 3.84Å; F140-F149 HydrophobicContact CZ-CG 3.84Å; F140-F149 HydrophobicContact CZ-CZ 4.02Å; E145-F149 WeakPolarHBondContact O-CB 3.18Å; E145-F149 PolarHBondContact O-N 2.86Å; E145-F149 VanDerWaalsContact O-N 3.11Å; V146-F149 WeakPolarHBondContact O-CB 3.43Å; V146-F149 PolarHBondContact O-N 3.4Å; F149-V151 HydrophobicContact CE1-CG2 3.7Å; F149-V151 HydrophobicContact CZ-CG2 4.01Å; F149-H154 HydrophobicContact CD2-CB 4.33Å; F149-H154 HydrophobicContact CE2-CB 3.58Å; F149-H154 AromaticContact CE2-CD2 3.84Å; F149-H154 AromaticContact CE2-CG 3.63Å; F149-H154 HydrophobicContact CZ-CB 4.4Å | ||
| 150 | D | 92.2 | Very high | 91.7 | Very high | 77 Ų | 77 | 93.7 Ų | 93.7 | 41% | 0.412 | 48% | 0.476 | S | S | . | . | trans | -116.1 | 133.8 | 165.9 | 165.1 | 49.3 | 0 | 0 | 0 | 110.5 | Q148 A152 T153 H154 | Q148-D150 PolarHBondContact O-N 3.46Å; D150-A152 PolarHBondContact OD1-N 3.24Å; D150-T153 WeakPolarHBondContact CB-OG1 3.32Å; D150-T153 PolarHBondContact O-OG1 3.3Å; D150-T153 WeakPolarHBondContact OD2-CB 3.41Å; D150-T153 VanDerWaalsContact OD2-CG2 3.26Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.34Å; D150-T153 PolarHBondContact OD2-N 3.49Å; D150-T153 PolarHBondContact OD2-OG1 3.42Å; D150-H154 VanDerWaalsContact O-CB 3.28Å; D150-H154 WeakPolarHBondContact O-CB 3.44Å; D150-H154 PolarHBondContact O-N 2.95Å; D150-H154 VanDerWaalsContact O-N 3.11Å | ||
| 151 | V | 90.4 | Very high | 91.5 | Very high | 41 Ų | 41 | 92.7 Ų | 92.7 | 25% | 0.248 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -71.1 | -36.1 | -174.4 | -176.2 | 0 | 0 | 0 | 0 | 111 | F149 L155 V162 | F149-V151 HydrophobicContact CE1-CG2 3.7Å; F149-V151 HydrophobicContact CZ-CG2 4.01Å; V151-L155 HydrophobicContact CG1-CD1 3.72Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 WeakPolarHBondContact O-CB 3.35Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 3.26Å; V151-V162 HydrophobicContact CB-CG1 3.98Å; V151-V162 HydrophobicContact CG1-CG1 3.68Å |
| 152 | A | 91.8 | Very high | 91.3 | Very high | 15 Ų | 15 | 86.3 Ų | 86.3 | 12% | 0.124 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.9 | -47.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D150 Q156 T157 V162 | D150-A152 PolarHBondContact OD1-N 3.24Å; A152-Q156 WeakPolarHBondContact O-CA 3.25Å; A152-Q156 PolarHBondContact O-N 2.82Å; A152-T157 PolarHBondContact O-N 3.12Å; A152-V162 HydrophobicContact CB-CG2 3.78Å |
| 153 | T | 91.5 | Very high | 90.8 | Very high | 101 Ų | 101 | 90.2 Ų | 90.2 | 62% | 0.62 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.9 | -46.4 | 175.9 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | D150 L155 Q156 | D150-T153 WeakPolarHBondContact CB-OG1 3.32Å; D150-T153 PolarHBondContact O-OG1 3.3Å; D150-T153 WeakPolarHBondContact OD2-CB 3.41Å; D150-T153 VanDerWaalsContact OD2-CG2 3.26Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.34Å; D150-T153 PolarHBondContact OD2-N 3.49Å; D150-T153 PolarHBondContact OD2-OG1 3.42Å; T153-L155 PolarHBondContact O-N 2.85Å; T153-Q156 PolarHBondContact O-N 2.99Å; T153-Q156 VanDerWaalsContact O-N 3.09Å |
| 154 | H | 90.8 | Very high | 90.5 | Very high | 97 Ų | 97 | 86.2 Ų | 86.2 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 179.3 | -179.7 | -84.6 | 0 | 0 | 0 | 112.7 | F149 D150 Q156 | F149-H154 HydrophobicContact CD2-CB 4.33Å; F149-H154 HydrophobicContact CE2-CB 3.58Å; F149-H154 AromaticContact CE2-CD2 3.84Å; F149-H154 AromaticContact CE2-CG 3.63Å; F149-H154 HydrophobicContact CZ-CB 4.4Å; D150-H154 VanDerWaalsContact O-CB 3.28Å; D150-H154 WeakPolarHBondContact O-CB 3.44Å; D150-H154 PolarHBondContact O-N 2.95Å; D150-H154 VanDerWaalsContact O-N 3.11Å; H154-Q156 VanDerWaalsContact C-N 3.27Å; H154-Q156 PolarHBondContact O-N 3.4Å |
| 155 | L | 90.6 | Very high | 90.1 | Very high | 47 Ų | 47 | 84.6 Ų | 84.6 | 25% | 0.246 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -81.1 | -7.1 | 177.6 | -63.5 | 179.3 | 0 | 0 | 0 | 113.3 | F138 V151 T153 T157 | F138-L155 HydrophobicContact CE1-CD2 4.33Å; F138-L155 HydrophobicContact CZ-CD2 4.44Å; V151-L155 HydrophobicContact CG1-CD1 3.72Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 WeakPolarHBondContact O-CB 3.35Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 3.26Å; T153-L155 PolarHBondContact O-N 2.85Å; L155-T157 HydrophobicContact CB-CG2 3.97Å; L155-T157 WeakPolarHBondContact O-CG2 3.4Å; L155-T157 PolarHBondContact O-N 3.13Å |
| 156 | Q | 92.9 | Very high | 90 | Very high | 88 Ų | 88 | 82.9 Ų | 82.9 | 41% | 0.411 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38.4 | -174.3 | -56.3 | 177.4 | -35.8 | 0 | 0 | 112.2 | A152 T153 H154 R170 I171 | A152-Q156 WeakPolarHBondContact O-CA 3.25Å; A152-Q156 PolarHBondContact O-N 2.82Å; T153-Q156 PolarHBondContact O-N 2.99Å; T153-Q156 VanDerWaalsContact O-N 3.09Å; H154-Q156 VanDerWaalsContact C-N 3.27Å; H154-Q156 PolarHBondContact O-N 3.4Å; Q156-R170 HydrophobicContact CB-CG 4.3Å; Q156-R170 CarbonylContact O-C 3.54Å; Q156-R170 VanDerWaalsContact O-CA 3.26Å; Q156-R170 WeakPolarHBondContact O-CA 3.32Å; Q156-I171 WeakPolarHBondContact O-CG1 3.47Å; Q156-I171 PolarHBondContact O-N 3Å |
| 157 | T | 93.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 84.3 Ų | 84.3 | 3% | 0.031 | 44% | 0.438 | C | S | . | . | trans | -114.9 | 153.8 | -175.6 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | A152 L155 R168 P169 | A152-T157 PolarHBondContact O-N 3.12Å; L155-T157 HydrophobicContact CB-CG2 3.97Å; L155-T157 WeakPolarHBondContact O-CG2 3.4Å; L155-T157 PolarHBondContact O-N 3.13Å; T157-R168 HydrophobicContact CG2-CB 4Å; T157-P169 WeakPolarHBondContact CG2-O 3.28Å | ||
| 158 | A | 90.4 | Very high | 89.7 | Confident | 27 Ų | 27 | 80.1 Ų | 80.1 | 22% | 0.223 | 42% | 0.415 | C | S | . | . | trans | -60.1 | 142.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | E160 L161 | A158-E160 PolarHBondContact O-N 2.9Å; A158-L161 HydrophobicContact CB-CD1 4.34Å; A158-L161 HydrophobicContact CB-CG 4.5Å; A158-L161 PolarHBondContact O-N 3.37Å | ||
| 159 | P | 91.4 | Very high | 89.7 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 66% | 0.656 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -58.4 | -33.4 | -176.8 | 21.7 | -32.5 | 0 | 0 | 0 | 112.8 | L161 V162 | P159-L161 PolarHBondContact O-N 2.84Å; P159-V162 WeakPolarHBondContact O-CB 3.46Å; P159-V162 WeakPolarHBondContact O-CG2 3.45Å; P159-V162 PolarHBondContact O-N 2.94Å |
| 160 | E | 89.8 | Confident | 89.8 | Confident | 176 Ų | 176 | 77.4 Ų | 77.4 | 82% | 0.822 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -63.6 | -21.6 | 177.6 | -58.3 | -178.4 | 175.6 | 0 | 0 | 114.1 | A158 | A158-E160 PolarHBondContact O-N 2.9Š|
| 161 | L | 88.1 | Confident | 89.8 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -97.3 | -5.4 | -176.7 | -62.9 | 175.7 | 0 | 0 | 0 | 112.8 | A158 P159 D163 R164 P169 L174 | A158-L161 HydrophobicContact CB-CD1 4.34Å; A158-L161 HydrophobicContact CB-CG 4.5Å; A158-L161 PolarHBondContact O-N 3.37Å; P159-L161 PolarHBondContact O-N 2.84Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.27Å; L161-R164 PolarHBondContact O-N 3.33Å; L161-P169 HydrophobicContact CD1-CG 4.16Å; L161-L174 HydrophobicContact CD1-CD1 4.41Å |
| 162 | V | 88.9 | Confident | 89.9 | Confident | 30 Ų | 30 | 80.6 Ų | 80.6 | 18% | 0.182 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -64.6 | -34.3 | -176.4 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | V151 A152 P159 R164 R168 | V151-V162 HydrophobicContact CB-CG1 3.98Å; V151-V162 HydrophobicContact CG1-CG1 3.68Å; A152-V162 HydrophobicContact CB-CG2 3.78Å; P159-V162 WeakPolarHBondContact O-CB 3.46Å; P159-V162 WeakPolarHBondContact O-CG2 3.45Å; P159-V162 PolarHBondContact O-N 2.94Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 2.67Å; V162-R168 PolarHBondContact O-NH1 2.87Å; V162-R168 PolarHBondContact O-NH2 3.23Å |
| 163 | D | 86.9 | Confident | 89.9 | Confident | 147 Ų | 147 | 82.3 Ų | 82.3 | 79% | 0.786 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -73.6 | -25.5 | 178.8 | -67.5 | -26.4 | 0 | 0 | 0 | 112.6 | L161 V165 | L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.27Å; D163-V165 PolarHBondContact O-N 2.98Å |
| 164 | R | 86.3 | Confident | 89.8 | Confident | 96 Ų | 96 | 81.7 Ų | 81.7 | 36% | 0.362 | 41% | 0.413 | S | S | . | . | trans | -80.2 | 111.6 | -173.9 | -177.5 | -173.1 | 175 | 178.3 | -3.4 | 111.1 | L161 V162 F166 R168 | L161-R164 PolarHBondContact O-N 3.33Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 2.67Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 WeakPolarHBondContact CD-O 3.41Å; R164-F166 HydrophobicContact CG-CD1 4.22Å; R164-F166 HydrophobicContact CG-CE1 4.05Å; R164-F166 HydrophobicContact CG-CZ 4.36Å; R164-F166 WeakPolarHBondContact CG-O 3.48Å; R164-F166 PolarHBondContact NE-O 2.89Å; R164-F166 PolarHBondContact O-N 2.87Å; R164-R168 VanDerWaalsContact C-NH2 3.29Å; R164-R168 WeakPolarHBondContact O-CD 3.31Å; R164-R168 VanDerWaalsContact O-CG 3.24Å; R164-R168 WeakPolarHBondContact O-CG 3.31Å; R164-R168 PolarHBondContact O-NE 2.87Å; R164-R168 PolarHBondContact O-NH2 3.13Å | ||
| 165 | V | 84.4 | Confident | 89.8 | Confident | 125 Ų | 125 | 84.2 Ų | 84.2 | 76% | 0.758 | 43% | 0.425 | S | S | * | . | trans | -64.1 | -25.6 | -173.4 | -176.2 | 0 | 0 | 0 | 0 | 115.3 | D163 | D163-V165 PolarHBondContact O-N 2.98Š| ||
| 166 | F | 85.8 | Confident | 89.9 | Confident | 46 Ų | 46 | 89.4 Ų | 89.4 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -121 | 147.9 | -172 | 62 | -82.5 | 0 | 0 | 0 | 112.1 | L126 D127 R164 | L126-F166 HydrophobicContact CB-CD1 3.88Å; L126-F166 HydrophobicContact CB-CD2 4.31Å; L126-F166 HydrophobicContact CB-CE1 3.61Å; L126-F166 HydrophobicContact CB-CE2 4Å; L126-F166 HydrophobicContact CB-CG 4.24Å; L126-F166 HydrophobicContact CB-CZ 3.66Å; L126-F166 HydrophobicContact CD1-CD2 3.62Å; L126-F166 HydrophobicContact CD1-CE2 3.68Å; L126-F166 HydrophobicContact CD1-CG 4.06Å; L126-F166 HydrophobicContact CD1-CZ 4.25Å; L126-F166 HydrophobicContact CD2-CB 3.95Å; L126-F166 HydrophobicContact CD2-CD1 3.95Å; L126-F166 HydrophobicContact CD2-CD2 4.22Å; L126-F166 HydrophobicContact CD2-CG 3.77Å; L126-F166 HydrophobicContact CG-CD1 4.31Å; L126-F166 HydrophobicContact CG-CD2 4.24Å; L126-F166 HydrophobicContact CG-CE1 4.46Å; L126-F166 HydrophobicContact CG-CE2 4.31Å; L126-F166 HydrophobicContact CG-CG 4.22Å; L126-F166 HydrophobicContact CG-CZ 4.45Å; D127-F166 VanDerWaalsContact OD1-CE1 3.32Å; D127-F166 WeakPolarHBondContact OD1-CE1 3.34Å; D127-F166 VanDerWaalsContact OD1-CZ 3.22Å; D127-F166 WeakPolarHBondContact OD1-CZ 3.31Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 WeakPolarHBondContact CD-O 3.41Å; R164-F166 HydrophobicContact CG-CD1 4.22Å; R164-F166 HydrophobicContact CG-CE1 4.05Å; R164-F166 HydrophobicContact CG-CZ 4.36Å; R164-F166 WeakPolarHBondContact CG-O 3.48Å; R164-F166 PolarHBondContact NE-O 2.89Å; R164-F166 PolarHBondContact O-N 2.87Å |
| 167 | N | 86.9 | Confident | 89.7 | Confident | 118 Ų | 118 | 91.7 Ų | 91.7 | 63% | 0.631 | 46% | 0.456 | S | S | * | . | trans | 50.2 | 67.2 | 178.9 | -168.3 | 33.2 | 0 | 0 | 0 | 112.8 | P169 | N167-P169 WeakPolarHBondContact O-CD 3.31Š| ||
| 168 | R | 89 | Confident | 89.4 | Confident | 77 Ų | 77 | 100.6 Ų | 100.6 | 29% | 0.291 | 49% | 0.494 | S | S | . | . | trans | -98.4 | 90.1 | 175 | -60.5 | 177.3 | -171.2 | -147.1 | -19.6 | 109.4 | T157 V162 R164 | T157-R168 HydrophobicContact CG2-CB 4Å; V162-R168 PolarHBondContact O-NH1 2.87Å; V162-R168 PolarHBondContact O-NH2 3.23Å; R164-R168 VanDerWaalsContact C-NH2 3.29Å; R164-R168 WeakPolarHBondContact O-CD 3.31Å; R164-R168 VanDerWaalsContact O-CG 3.24Å; R164-R168 WeakPolarHBondContact O-CG 3.31Å; R164-R168 PolarHBondContact O-NE 2.87Å; R164-R168 PolarHBondContact O-NH2 3.13Å | ||
| 169 | P | 90.8 | Very high | 89.1 | Confident | 31 Ų | 31 | 104.9 Ų | 104.9 | 20% | 0.201 | 52% | 0.518 | C | S | . | . | trans | -70.1 | 145.1 | 178.7 | 28.5 | -36.1 | 0 | 0 | 0 | 111.5 | T157 L161 N167 L174 | T157-P169 WeakPolarHBondContact CG2-O 3.28Å; L161-P169 HydrophobicContact CD1-CG 4.16Å; N167-P169 WeakPolarHBondContact O-CD 3.31Å; P169-L174 HydrophobicContact CB-CD2 4.17Å; P169-L174 HydrophobicContact CB-CG 4.19Å; P169-L174 HydrophobicContact CG-CD1 4.43Å; P169-L174 HydrophobicContact CG-CD2 3.67Å; P169-L174 HydrophobicContact CG-CG 4.01Å | ||
| 170 | R | 93.2 | Very high | 88.6 | Confident | 142 Ų | 142 | 109.9 Ų | 109.9 | 54% | 0.536 | 53% | 0.529 | S | S | . | . | trans | -69.9 | 157 | 171.6 | -65.9 | -175.1 | -178.9 | -177.5 | 3.8 | 110.7 | Q156 E172 T173 L174 | Q156-R170 HydrophobicContact CB-CG 4.3Å; Q156-R170 CarbonylContact O-C 3.54Å; Q156-R170 VanDerWaalsContact O-CA 3.26Å; Q156-R170 WeakPolarHBondContact O-CA 3.32Å; R170-E172 PolarHBondContact O-N 3.23Å; R170-T173 WeakPolarHBondContact O-CB 3.41Å; R170-T173 PolarHBondContact O-N 3.3Å; R170-L174 PolarHBondContact O-N 3.21Å | ||
| 171 | I | 92.8 | Very high | 88.4 | Confident | 84 Ų | 84 | 104.7 Ų | 104.7 | 43% | 0.431 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.1 | -41.1 | 177.8 | -64.8 | 162.3 | 0 | 0 | 0 | 111 | Q156 T173 L174 Q175 | Q156-I171 WeakPolarHBondContact O-CG1 3.47Å; Q156-I171 PolarHBondContact O-N 3Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 3.47Å; I171-L174 WeakPolarHBondContact O-CB 3.49Å; I171-L174 PolarHBondContact O-N 3.38Å; I171-Q175 WeakPolarHBondContact O-CG 3.39Å; I171-Q175 PolarHBondContact O-N 2.85Å; I171-Q175 VanDerWaalsContact O-N 3.08Å |
| 172 | E | 93.1 | Very high | 88.2 | Confident | 100 Ų | 100 | 106.5 Ų | 106.5 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 175.6 | -65.1 | -172.2 | -154.9 | 0 | 0 | 113.2 | R170 L174 Q175 K176 | R170-E172 PolarHBondContact O-N 3.23Å; E172-L174 VanDerWaalsContact C-N 3.34Å; E172-Q175 PolarHBondContact O-N 3.5Å; E172-K176 WeakPolarHBondContact O-CB 3.4Å; E172-K176 VanDerWaalsContact O-CG 3.31Å; E172-K176 WeakPolarHBondContact O-CG 3.5Å; E172-K176 PolarHBondContact O-N 3Å; E172-K176 IonicContact OE2-NZ 3.98Å; E172-K176 PolarHBondContact OE2-NZ 3.47Å |
| 173 | T | 90.7 | Very high | 88 | Confident | 51 Ų | 51 | 109.6 Ų | 109.6 | 31% | 0.313 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.6 | -39.3 | 178.3 | -47.3 | 0 | 0 | 0 | 0 | 110.6 | R170 I171 Q175 K176 E177 | R170-T173 WeakPolarHBondContact O-CB 3.41Å; R170-T173 PolarHBondContact O-N 3.3Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 3.47Å; T173-Q175 VanDerWaalsContact C-N 3.26Å; T173-Q175 PolarHBondContact O-N 2.95Å; T173-K176 PolarHBondContact O-N 3Å; T173-E177 HydrophobicContact CG2-CG 4.06Å; T173-E177 WeakPolarHBondContact O-CB 3.43Å; T173-E177 PolarHBondContact O-N 3.39Å |
| 174 | L | 89.3 | Confident | 88.2 | Confident | 88 Ų | 88 | 107.7 Ų | 107.7 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -31.7 | 174.9 | -70 | 173.4 | 0 | 0 | 0 | 112.8 | L161 P169 R170 I171 E172 | L161-L174 HydrophobicContact CD1-CD1 4.41Å; P169-L174 HydrophobicContact CB-CD2 4.17Å; P169-L174 HydrophobicContact CB-CG 4.19Å; P169-L174 HydrophobicContact CG-CD1 4.43Å; P169-L174 HydrophobicContact CG-CD2 3.67Å; P169-L174 HydrophobicContact CG-CG 4.01Å; R170-L174 PolarHBondContact O-N 3.21Å; I171-L174 WeakPolarHBondContact O-CB 3.49Å; I171-L174 PolarHBondContact O-N 3.38Å; E172-L174 VanDerWaalsContact C-N 3.34Å |
| 175 | Q | 90.8 | Very high | 88.4 | Confident | 151 Ų | 151 | 109.7 Ų | 109.7 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -77.1 | -38.1 | 176 | -70.2 | 174.6 | -5 | 0 | 0 | 112.5 | I171 E172 T173 | I171-Q175 WeakPolarHBondContact O-CG 3.39Å; I171-Q175 PolarHBondContact O-N 2.85Å; I171-Q175 VanDerWaalsContact O-N 3.08Å; E172-Q175 PolarHBondContact O-N 3.5Å; T173-Q175 VanDerWaalsContact C-N 3.26Å; T173-Q175 PolarHBondContact O-N 2.95Å |
| 176 | K | 92.7 | Very high | 88.8 | Confident | 155 Ų | 155 | 109 Ų | 109 | 67% | 0.674 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -84.8 | -37.3 | -173.7 | -69.1 | 169 | -176.4 | 166 | 0 | 113.1 | E172 T173 | E172-K176 WeakPolarHBondContact O-CB 3.4Å; E172-K176 VanDerWaalsContact O-CG 3.31Å; E172-K176 WeakPolarHBondContact O-CG 3.5Å; E172-K176 PolarHBondContact O-N 3Å; E172-K176 IonicContact OE2-NZ 3.98Å; E172-K176 PolarHBondContact OE2-NZ 3.47Å; T173-K176 PolarHBondContact O-N 3Å |
| 177 | E | 88.8 | Confident | 89 | Confident | 137 Ų | 137 | 107.7 Ų | 107.7 | 64% | 0.64 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 143 | -171.1 | -63.2 | -169.5 | 173 | 0 | 0 | 113.5 | T173 | T173-E177 HydrophobicContact CG2-CG 4.06Å; T173-E177 WeakPolarHBondContact O-CB 3.43Å; T173-E177 PolarHBondContact O-N 3.39Å |
| 178 | K | 86.9 | Confident | 89.2 | Confident | 191 Ų | 191 | 106.4 Ų | 106.4 | 83% | 0.83 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 138.4 | 171.2 | -64.6 | -175.2 | -178.5 | 180 | 0 | 110.5 | K180 | K178-K180 PolarHBondContact O-N 3.3Š|
| 179 | V | 83.8 | Confident | 89.4 | Confident | 118 Ų | 118 | 109.2 Ų | 109.2 | 72% | 0.715 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 122.1 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | T183 | V179-T183 HydrophobicContact CG1-CG2 4.47Š|
| 180 | K | 83 | Confident | 89.5 | Confident | 206 Ų | 206 | 116.1 Ų | 116.1 | 90% | 0.896 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 126.3 | 174 | -63.8 | -178.6 | -177.1 | 175.4 | 0 | 109.9 | K178 | K178-K180 PolarHBondContact O-N 3.3Š|
| 181 | G | 84.6 | Confident | 89.4 | Confident | 66 Ų | 66 | 112.8 Ų | 112.8 | 68% | 0.68 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 118.9 | -160.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T183 | G181-T183 PolarHBondContact O-N 3.37Š|
| 182 | V | 83.6 | Confident | 89.3 | Confident | 77 Ų | 77 | 111.3 Ų | 111.3 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | trans | -78 | 116.4 | -176.1 | -176 | 0 | 0 | 0 | 0 | 110.1 | N184 L188 I191 | V182-N184 HydrophobicContact CG1-CB 4.4Å; V182-L188 WeakPolarHBondContact O-CD2 3.26Å; V182-I191 HydrophobicContact CB-CD1 4.22Å; V182-I191 HydrophobicContact CG2-CD1 4.27Å | ||
| 183 | T | 85.3 | Confident | 89.3 | Confident | 95 Ų | 95 | 113.2 Ų | 113.2 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | trans | -95.8 | -20.8 | 178.5 | 50.6 | 0 | 0 | 0 | 0 | 113 | V179 G181 Q185 | V179-T183 HydrophobicContact CG1-CG2 4.47Å; G181-T183 PolarHBondContact O-N 3.37Å; T183-Q185 PolarHBondContact O-N 2.99Å | ||
| 184 | N | 90 | Very high | 89.3 | Confident | 107 Ų | 107 | 115.4 Ų | 115.4 | 57% | 0.572 | 59% | 0.588 | S | S | * | * | trans | -62.7 | 131.1 | -179 | -65.8 | -13.6 | 0 | 0 | 0 | 111.5 | V182 T186 G187 L188 | V182-N184 HydrophobicContact CG1-CB 4.4Å; N184-T186 VanDerWaalsContact C-N 3.25Å; N184-T186 PolarHBondContact O-N 2.92Å; N184-G187 WeakPolarHBondContact O-CA 3.38Å; N184-G187 PolarHBondContact O-N 3.48Å; N184-L188 PolarHBondContact O-N 3.3Å | ||
| 185 | Q | 90.9 | Very high | 89.3 | Confident | 139 Ų | 139 | 116.7 Ų | 116.7 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -58 | -37 | -177.5 | -161.4 | -172.3 | 40.7 | 0 | 0 | 112.8 | T183 K189 | T183-Q185 PolarHBondContact O-N 2.99Å; Q185-K189 WeakPolarHBondContact O-CG 3.29Å; Q185-K189 PolarHBondContact O-N 3.08Å; Q185-K189 VanDerWaalsContact O-N 3.09Å |
| 186 | T | 92.1 | Very high | 89.3 | Confident | 111 Ų | 111 | 114.4 Ų | 114.4 | 68% | 0.681 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -40.8 | 175.9 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | N184 K189 R190 | N184-T186 VanDerWaalsContact C-N 3.25Å; N184-T186 PolarHBondContact O-N 2.92Å; T186-K189 PolarHBondContact O-N 2.82Å; T186-R190 PolarHBondContact O-N 3.16Å; T186-R190 VanDerWaalsContact O-N 3.1Å |
| 187 | G | 91.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 113.1 Ų | 113.1 | 19% | 0.186 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -65.5 | -43.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N184 K189 R190 I191 | N184-G187 WeakPolarHBondContact O-CA 3.38Å; N184-G187 PolarHBondContact O-N 3.48Å; G187-K189 PolarHBondContact O-N 2.9Å; G187-R190 WeakPolarHBondContact O-CB 3.16Å; G187-R190 PolarHBondContact O-N 3.38Å; G187-I191 WeakPolarHBondContact O-CG1 3.47Å; G187-I191 PolarHBondContact O-N 2.73Å |
| 188 | L | 90.8 | Very high | 89.4 | Confident | 91 Ų | 91 | 110.7 Ų | 110.7 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.1 | -44.7 | 175 | -68.9 | 173.2 | 0 | 0 | 0 | 112 | V182 N184 R190 I191 A192 | V182-L188 WeakPolarHBondContact O-CD2 3.26Å; N184-L188 PolarHBondContact O-N 3.3Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.76Å; L188-I191 PolarHBondContact O-N 2.97Å; L188-A192 WeakPolarHBondContact O-CB 3.45Å; L188-A192 PolarHBondContact O-N 3.01Å |
| 189 | K | 93.1 | Very high | 89.6 | Confident | 136 Ų | 136 | 102.3 Ų | 102.3 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -38.8 | 175.4 | -74 | 177.6 | -178 | 177.5 | 0 | 112 | Q185 T186 G187 K193 | Q185-K189 WeakPolarHBondContact O-CG 3.29Å; Q185-K189 PolarHBondContact O-N 3.08Å; Q185-K189 VanDerWaalsContact O-N 3.09Å; T186-K189 PolarHBondContact O-N 2.82Å; G187-K189 PolarHBondContact O-N 2.9Å; K189-K193 WeakPolarHBondContact O-CB 2.97Å; K189-K193 PolarHBondContact O-N 3.09Å |
| 190 | R | 93.6 | Very high | 90 | Very high | 176 Ų | 176 | 100.2 Ų | 100.2 | 66% | 0.664 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -47.5 | 177.1 | -173.2 | 178.5 | 177 | 164.5 | 1.4 | 111.6 | T186 G187 L188 A192 K193 E194 | T186-R190 PolarHBondContact O-N 3.16Å; T186-R190 VanDerWaalsContact O-N 3.1Å; G187-R190 WeakPolarHBondContact O-CB 3.16Å; G187-R190 PolarHBondContact O-N 3.38Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.76Å; R190-A192 PolarHBondContact O-N 2.76Å; R190-K193 PolarHBondContact O-N 2.94Å; R190-E194 IonicContact NE-OE1 3.08Å; R190-E194 PolarHBondContact NE-OE1 3.05Å; R190-E194 PolarHBondContact O-N 3.04Å |
| 191 | I | 90.6 | Very high | 90.5 | Very high | 71 Ų | 71 | 92.2 Ų | 92.2 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 177.6 | -66.1 | 166.2 | 0 | 0 | 0 | 110.8 | V182 G187 L188 K193 E194 R195 | V182-I191 HydrophobicContact CB-CD1 4.22Å; V182-I191 HydrophobicContact CG2-CD1 4.27Å; G187-I191 WeakPolarHBondContact O-CG1 3.47Å; G187-I191 PolarHBondContact O-N 2.73Å; L188-I191 PolarHBondContact O-N 2.97Å; I191-K193 VanDerWaalsContact C-N 3.33Å; I191-K193 PolarHBondContact O-N 3.33Å; I191-E194 PolarHBondContact O-N 3.11Å; I191-R195 WeakPolarHBondContact O-CB 3.37Å; I191-R195 PolarHBondContact O-N 3.23Å |
| 192 | A | 89.9 | Confident | 90.9 | Very high | 54 Ų | 54 | 89.2 Ų | 89.2 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L188 R190 R195 Q196 | L188-A192 WeakPolarHBondContact O-CB 3.45Å; L188-A192 PolarHBondContact O-N 3.01Å; R190-A192 PolarHBondContact O-N 2.76Å; A192-R195 PolarHBondContact O-N 3.48Å; A192-Q196 WeakPolarHBondContact O-CB 3.49Å; A192-Q196 PolarHBondContact O-N 2.99Å |
| 193 | K | 92.6 | Very high | 91.3 | Very high | 140 Ų | 140 | 87.8 Ų | 87.8 | 61% | 0.609 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 176.2 | -171.2 | 175.6 | -174.8 | 174.7 | 0 | 112.1 | K189 R190 I191 Q196 K197 | K189-K193 WeakPolarHBondContact O-CB 2.97Å; K189-K193 PolarHBondContact O-N 3.09Å; R190-K193 PolarHBondContact O-N 2.94Å; I191-K193 VanDerWaalsContact C-N 3.33Å; I191-K193 PolarHBondContact O-N 3.33Å; K193-Q196 PolarHBondContact O-N 3.44Å; K193-K197 WeakPolarHBondContact O-CG 3.27Å; K193-K197 PolarHBondContact O-N 2.99Å |
| 194 | E | 91.4 | Very high | 91.8 | Very high | 97 Ų | 97 | 89.5 Ų | 89.5 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 176 | -74.2 | 173.1 | -169.8 | 0 | 0 | 111.5 | R190 I191 Q196 K197 Q198 | R190-E194 IonicContact NE-OE1 3.08Å; R190-E194 PolarHBondContact NE-OE1 3.05Å; R190-E194 PolarHBondContact O-N 3.04Å; I191-E194 PolarHBondContact O-N 3.11Å; E194-Q196 PolarHBondContact O-N 2.9Å; E194-K197 WeakPolarHBondContact O-CB 3.41Å; E194-K197 PolarHBondContact O-N 3.38Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.27Å; E194-Q198 VanDerWaalsContact O-N 3.09Å |
| 195 | R | 89.1 | Confident | 92.1 | Very high | 114 Ų | 114 | 87.4 Ų | 87.4 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 173.4 | -174.2 | -174.3 | -59.8 | 173.2 | 7 | 111.7 | D127 I191 A192 K197 Q198 Y199 | D127-R195 IonicContact OD2-CZ 2.76Å; D127-R195 IonicContact OD2-NH1 2.97Å; D127-R195 PolarHBondContact OD2-NH1 2.91Å; I191-R195 WeakPolarHBondContact O-CB 3.37Å; I191-R195 PolarHBondContact O-N 3.23Å; A192-R195 PolarHBondContact O-N 3.48Å; R195-K197 VanDerWaalsContact C-N 3.33Å; R195-K197 PolarHBondContact O-N 2.93Å; R195-Q198 PolarHBondContact O-N 3.06Å; R195-Y199 HydrophobicContact CG-CD2 3.84Å; R195-Y199 HydrophobicContact CG-CE2 3.48Å; R195-Y199 VanDerWaalsContact CG-CE2 3.48Å; R195-Y199 VanDerWaalsContact O-CD2 3.31Å; R195-Y199 WeakPolarHBondContact O-CD2 3.33Å; R195-Y199 PolarHBondContact O-N 3.48Å |
| 196 | Q | 90.4 | Very high | 92.2 | Very high | 103 Ų | 103 | 82.7 Ų | 82.7 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 178.2 | -171.5 | 63 | 37.5 | 0 | 0 | 111.9 | A192 K193 E194 Q198 Y199 N200 | A192-Q196 WeakPolarHBondContact O-CB 3.49Å; A192-Q196 PolarHBondContact O-N 2.99Å; K193-Q196 PolarHBondContact O-N 3.44Å; E194-Q196 PolarHBondContact O-N 2.9Å; Q196-Q198 VanDerWaalsContact C-N 3.31Å; Q196-Q198 PolarHBondContact O-N 3.09Å; Q196-Y199 PolarHBondContact O-N 2.95Å; Q196-N200 PolarHBondContact NE2-OD1 2.97Å; Q196-N200 WeakPolarHBondContact O-CB 3.48Å; Q196-N200 PolarHBondContact O-N 3.43Å; Q196-N200 PolarHBondContact O-OD1 2.9Å |
| 197 | K | 92.8 | Very high | 92.4 | Very high | 128 Ų | 128 | 82.1 Ų | 82.1 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.1 | -42.6 | 175.5 | -75 | 175.4 | 179.6 | -175.7 | 0 | 111.7 | K193 E194 R195 N200 C201 | K193-K197 WeakPolarHBondContact O-CG 3.27Å; K193-K197 PolarHBondContact O-N 2.99Å; E194-K197 WeakPolarHBondContact O-CB 3.41Å; E194-K197 PolarHBondContact O-N 3.38Å; R195-K197 VanDerWaalsContact C-N 3.33Å; R195-K197 PolarHBondContact O-N 2.93Å; K197-N200 PolarHBondContact O-N 2.97Å; K197-C201 WeakPolarHBondContact O-CB 3.32Å; K197-C201 PolarHBondContact O-N 2.84Å |
| 198 | Q | 91.8 | Very high | 92.6 | Very high | 87 Ų | 87 | 87.7 Ų | 87.7 | 41% | 0.407 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 178.4 | -66.5 | -67.9 | -0.9 | 0 | 0 | 111.9 | L123 E194 R195 Q196 C201 L202 | L123-Q198 HydrophobicContact CD1-CB 4.22Å; L123-Q198 HydrophobicContact CD2-CB 3.77Å; L123-Q198 HydrophobicContact CG-CB 4.45Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.27Å; E194-Q198 VanDerWaalsContact O-N 3.09Å; R195-Q198 PolarHBondContact O-N 3.06Å; Q196-Q198 VanDerWaalsContact C-N 3.31Å; Q196-Q198 PolarHBondContact O-N 3.09Å; Q198-C201 WeakPolarHBondContact O-CB 3.33Å; Q198-C201 PolarHBondContact O-N 3.28Å; Q198-L202 WeakPolarHBondContact O-CB 3.24Å; Q198-L202 PolarHBondContact O-N 3.37Å |
| 199 | Y | 91.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 85.6 Ų | 85.6 | 6% | 0.055 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 174.4 | -75.4 | -56.4 | 0 | 0 | 0 | 113.3 | L123 L125 L126 F128 R195 Q196 L202 T203 | L123-Y199 HydrophobicContact CB-CE1 4.47Å; L123-Y199 HydrophobicContact CD1-CD1 4.43Å; L123-Y199 HydrophobicContact CD2-CD1 4.39Å; L123-Y199 HydrophobicContact CD2-CE1 4.11Å; L125-Y199 VanDerWaalsContact C-OH 3.28Å; L125-Y199 VanDerWaalsContact CA-OH 3.25Å; L125-Y199 WeakPolarHBondContact CA-OH 3.41Å; L125-Y199 HydrophobicContact CD2-CE1 3.97Å; L125-Y199 PolarHBondContact N-OH 3.38Å; L126-Y199 PolarHBondContact N-OH 3.03Å; F128-Y199 HydrophobicContact CB-CD1 4.24Å; F128-Y199 HydrophobicContact CB-CE1 3.84Å; F128-Y199 AromaticContact CD2-CD1 3.46Å; F128-Y199 HydrophobicContact CD2-CD1 3.46Å; F128-Y199 VanDerWaalsContact CD2-CD1 3.46Å; F128-Y199 AromaticContact CD2-CE1 3.95Å; F128-Y199 HydrophobicContact CD2-CE1 3.95Å; F128-Y199 HydrophobicContact CD2-CG 4.12Å; F128-Y199 HydrophobicContact CE2-CD1 4.24Å; F128-Y199 HydrophobicContact CG-CD1 4.23Å; F128-Y199 HydrophobicContact CG-CE1 4.27Å; R195-Y199 HydrophobicContact CG-CD2 3.84Å; R195-Y199 HydrophobicContact CG-CE2 3.48Å; R195-Y199 VanDerWaalsContact CG-CE2 3.48Å; R195-Y199 VanDerWaalsContact O-CD2 3.31Å; R195-Y199 WeakPolarHBondContact O-CD2 3.33Å; R195-Y199 PolarHBondContact O-N 3.48Å; Q196-Y199 PolarHBondContact O-N 2.95Å; Y199-L202 PolarHBondContact O-N 2.91Å; Y199-T203 WeakPolarHBondContact O-CB 3.36Å; Y199-T203 PolarHBondContact O-N 2.67Å; Y199-T203 PolarHBondContact O-OG1 3.18Å |
| 200 | N | 92.1 | Very high | 93 | Very high | 75 Ų | 75 | 85.1 Ų | 85.1 | 40% | 0.401 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 174.7 | -69.2 | -6.6 | 0 | 0 | 0 | 110.8 | Q196 K197 L202 T203 Q204 | Q196-N200 PolarHBondContact NE2-OD1 2.97Å; Q196-N200 WeakPolarHBondContact O-CB 3.48Å; Q196-N200 PolarHBondContact O-N 3.43Å; Q196-N200 PolarHBondContact O-OD1 2.9Å; K197-N200 PolarHBondContact O-N 2.97Å; N200-L202 PolarHBondContact O-N 2.9Å; N200-T203 PolarHBondContact O-N 3.41Å; N200-Q204 WeakPolarHBondContact O-CB 3.39Å; N200-Q204 VanDerWaalsContact O-CG 3.29Å; N200-Q204 WeakPolarHBondContact O-CG 3.41Å; N200-Q204 PolarHBondContact O-N 3.19Å |
| 201 | C | 93.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 83.2 Ų | 83.2 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | K197 Q198 T203 Q204 R205 | K197-C201 WeakPolarHBondContact O-CB 3.32Å; K197-C201 PolarHBondContact O-N 2.84Å; Q198-C201 WeakPolarHBondContact O-CB 3.33Å; Q198-C201 PolarHBondContact O-N 3.28Å; C201-T203 PolarHBondContact O-N 3.5Å; C201-Q204 PolarHBondContact O-N 3.33Å; C201-R205 VanDerWaalsContact O-CG 3.32Å; C201-R205 WeakPolarHBondContact O-CG 3.43Å; C201-R205 PolarHBondContact O-N 3.12Å |
| 202 | L | 92.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 81.1 Ų | 81.1 | 1% | 0.01 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 177 | 178.7 | 63.2 | 0 | 0 | 0 | 111.6 | I116 L119 K120 L123 L125 Q198 Y199 N200 R205 I206 | I116-L202 HydrophobicContact CG2-CD1 4.01Å; L119-L202 HydrophobicContact CB-CD1 4.11Å; K120-L202 HydrophobicContact CG-CD1 3.95Å; K120-L202 HydrophobicContact CG-CD2 4.19Å; L123-L202 HydrophobicContact CD1-CB 4.23Å; L123-L202 HydrophobicContact CD1-CD2 3.95Å; L125-L202 HydrophobicContact CD2-CD2 3.73Å; Q198-L202 WeakPolarHBondContact O-CB 3.24Å; Q198-L202 PolarHBondContact O-N 3.37Å; Y199-L202 PolarHBondContact O-N 2.91Å; N200-L202 PolarHBondContact O-N 2.9Å; L202-R205 PolarHBondContact O-N 3.23Å; L202-I206 HydrophobicContact CD1-CD1 4.14Å; L202-I206 HydrophobicContact CD1-CG1 4.4Å; L202-I206 HydrophobicContact CG-CD1 3.98Å; L202-I206 WeakPolarHBondContact O-CG1 3.4Å; L202-I206 PolarHBondContact O-N 3.09Å |
| 203 | T | 92.8 | Very high | 93.8 | Very high | 47 Ų | 47 | 82.5 Ų | 82.5 | 29% | 0.288 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61 | -48.9 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | Y199 N200 C201 R205 I206 E207 | Y199-T203 WeakPolarHBondContact O-CB 3.36Å; Y199-T203 PolarHBondContact O-N 2.67Å; Y199-T203 PolarHBondContact O-OG1 3.18Å; N200-T203 PolarHBondContact O-N 3.41Å; C201-T203 PolarHBondContact O-N 3.5Å; T203-R205 VanDerWaalsContact C-N 3.29Å; T203-R205 PolarHBondContact O-N 2.82Å; T203-I206 PolarHBondContact O-N 2.97Å; T203-E207 WeakPolarHBondContact O-CG 3.32Å; T203-E207 PolarHBondContact O-N 2.88Å |
| 204 | Q | 95.3 | Very high | 94 | Very high | 131 Ų | 131 | 77 Ų | 77 | 61% | 0.612 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60 | -38.2 | 176.8 | -72 | 174.3 | 2.1 | 0 | 0 | 112.4 | N200 C201 E207 R208 | N200-Q204 WeakPolarHBondContact O-CB 3.39Å; N200-Q204 VanDerWaalsContact O-CG 3.29Å; N200-Q204 WeakPolarHBondContact O-CG 3.41Å; N200-Q204 PolarHBondContact O-N 3.19Å; C201-Q204 PolarHBondContact O-N 3.33Å; Q204-E207 PolarHBondContact O-N 3.16Å; Q204-R208 VanDerWaalsContact O-CB 3.31Å; Q204-R208 WeakPolarHBondContact O-CB 3.5Å; Q204-R208 PolarHBondContact O-N 2.94Å |
| 205 | R | 95.3 | Very high | 94.2 | Very high | 63 Ų | 63 | 75.9 Ų | 75.9 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 176.4 | -74.2 | 179.3 | -179.3 | -76 | 3.8 | 112.2 | E112 I116 L119 C201 L202 T203 E207 R208 E209 | E112-R205 IonicContact OE1-NH1 2.68Å; E112-R205 PolarHBondContact OE1-NH1 3.44Å; E112-R205 IonicContact OE2-CZ 3.03Å; E112-R205 IonicContact OE2-NH1 3.73Å; E112-R205 PolarHBondContact OE2-NH1 3.14Å; I116-R205 HydrophobicContact CD1-CB 4.21Å; I116-R205 HydrophobicContact CG1-CB 3.7Å; L119-R205 VanDerWaalsContact CD1-CD 3.42Å; C201-R205 VanDerWaalsContact O-CG 3.32Å; C201-R205 WeakPolarHBondContact O-CG 3.43Å; C201-R205 PolarHBondContact O-N 3.12Å; L202-R205 PolarHBondContact O-N 3.23Å; T203-R205 VanDerWaalsContact C-N 3.29Å; T203-R205 PolarHBondContact O-N 2.82Å; R205-E207 VanDerWaalsContact C-N 3.31Å; R205-E207 PolarHBondContact O-N 3.24Å; R205-R208 WeakPolarHBondContact O-CB 3.32Å; R205-R208 PolarHBondContact O-N 3.05Å; R205-E209 WeakPolarHBondContact O-CB 3.36Å; R205-E209 PolarHBondContact O-N 3.17Å |
| 206 | I | 94.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 70.7 Ų | 70.7 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.9 | -69.5 | 166.6 | 0 | 0 | 0 | 110.3 | I116 L202 T203 R208 E209 K210 | I116-I206 HydrophobicContact CD1-CG1 4.26Å; I116-I206 HydrophobicContact CG1-CG1 4.47Å; I116-I206 HydrophobicContact CG2-CG1 4.13Å; L202-I206 HydrophobicContact CD1-CD1 4.14Å; L202-I206 HydrophobicContact CD1-CG1 4.4Å; L202-I206 HydrophobicContact CG-CD1 3.98Å; L202-I206 WeakPolarHBondContact O-CG1 3.4Å; L202-I206 PolarHBondContact O-N 3.09Å; T203-I206 PolarHBondContact O-N 2.97Å; I206-R208 VanDerWaalsContact C-N 3.35Å; I206-R208 PolarHBondContact O-N 3.17Å; I206-E209 PolarHBondContact O-N 3.45Å; I206-K210 HydrophobicContact CG2-CD 4.43Å; I206-K210 WeakPolarHBondContact O-CG 3.36Å; I206-K210 PolarHBondContact O-N 3.2Å |
| 207 | E | 95.1 | Very high | 94.8 | Very high | 98 Ų | 98 | 69.1 Ų | 69.1 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 175 | -71.6 | 177.6 | -173 | 0 | 0 | 112.6 | T203 Q204 R205 K210 K211 | T203-E207 WeakPolarHBondContact O-CG 3.32Å; T203-E207 PolarHBondContact O-N 2.88Å; Q204-E207 PolarHBondContact O-N 3.16Å; R205-E207 VanDerWaalsContact C-N 3.31Å; R205-E207 PolarHBondContact O-N 3.24Å; E207-K210 PolarHBondContact O-N 3.27Å; E207-K211 WeakPolarHBondContact O-CG 3.27Å; E207-K211 PolarHBondContact O-N 3.29Å |
| 208 | R | 96.6 | Very high | 95 | Very high | 136 Ų | 136 | 64.6 Ų | 64.6 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.5 | -175.7 | -179.5 | -176.4 | 167.9 | 4.9 | 111.5 | Q204 R205 I206 K211 L212 | Q204-R208 VanDerWaalsContact O-CB 3.31Å; Q204-R208 WeakPolarHBondContact O-CB 3.5Å; Q204-R208 PolarHBondContact O-N 2.94Å; R205-R208 WeakPolarHBondContact O-CB 3.32Å; R205-R208 PolarHBondContact O-N 3.05Å; I206-R208 VanDerWaalsContact C-N 3.35Å; I206-R208 PolarHBondContact O-N 3.17Å; R208-K211 PolarHBondContact O-N 2.91Å; R208-L212 HydrophobicContact CG-CD1 4.32Å; R208-L212 WeakPolarHBondContact O-CG 3.47Å; R208-L212 PolarHBondContact O-N 2.89Å |
| 209 | E | 96.3 | Very high | 95.2 | Very high | 46 Ų | 46 | 61.6 Ų | 61.6 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.9 | -171.7 | -72.5 | 146.4 | 0 | 0 | 110.5 | R109 I116 R205 I206 K211 L212 F213 | R109-E209 HydrophobicContact CG-CG 4.17Å; I116-E209 HydrophobicContact CD1-CB 3.69Å; I116-E209 HydrophobicContact CD1-CG 4.12Å; R205-E209 WeakPolarHBondContact O-CB 3.36Å; R205-E209 PolarHBondContact O-N 3.17Å; I206-E209 PolarHBondContact O-N 3.45Å; E209-K211 VanDerWaalsContact C-N 3.33Å; E209-K211 PolarHBondContact O-N 3.49Å; E209-L212 PolarHBondContact O-N 3.32Å; E209-L212 VanDerWaalsContact O-N 3.14Å; E209-F213 WeakPolarHBondContact O-CB 3.48Å; E209-F213 PolarHBondContact O-N 3.43Å |
| 210 | K | 95.8 | Very high | 95.4 | Very high | 127 Ų | 127 | 64 Ų | 64 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -56.7 | -44.1 | 174.8 | -71.3 | 174.8 | -179.1 | -178.8 | 0 | 112.3 | I206 E207 F213 V214 | I206-K210 HydrophobicContact CG2-CD 4.43Å; I206-K210 WeakPolarHBondContact O-CG 3.36Å; I206-K210 PolarHBondContact O-N 3.2Å; E207-K210 PolarHBondContact O-N 3.27Å; K210-F213 WeakPolarHBondContact O-CB 3.31Å; K210-F213 PolarHBondContact O-N 3.31Å; K210-V214 WeakPolarHBondContact O-CG2 3.35Å; K210-V214 PolarHBondContact O-N 2.9Å |
| 211 | K | 96.4 | Very high | 95.4 | Very high | 136 Ų | 136 | 62 Ų | 62 | 59% | 0.591 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 176.4 | -72.9 | 173.2 | -175.7 | 174.5 | 0 | 111.3 | E207 R208 E209 F213 V214 I215 | E207-K211 WeakPolarHBondContact O-CG 3.27Å; E207-K211 PolarHBondContact O-N 3.29Å; R208-K211 PolarHBondContact O-N 2.91Å; E209-K211 VanDerWaalsContact C-N 3.33Å; E209-K211 PolarHBondContact O-N 3.49Å; K211-F213 VanDerWaalsContact C-N 3.29Å; K211-F213 PolarHBondContact O-N 3.39Å; K211-V214 PolarHBondContact O-N 3.21Å; K211-I215 VanDerWaalsContact O-CG1 3.23Å; K211-I215 WeakPolarHBondContact O-CG1 3.47Å; K211-I215 PolarHBondContact O-N 3.19Å |
| 212 | L | 97 | Very high | 95.4 | Very high | 26 Ų | 26 | 65.6 Ų | 65.6 | 14% | 0.136 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 176.9 | -69.6 | 173.1 | 0 | 0 | 0 | 111.6 | I105 K108 R109 E112 R208 E209 I215 A216 | I105-L212 HydrophobicContact CG2-CB 4.4Å; I105-L212 HydrophobicContact CG2-CD2 4.23Å; K108-L212 HydrophobicContact CB-CD1 4.31Å; R109-L212 HydrophobicContact CB-CB 4.3Å; R109-L212 HydrophobicContact CG-CB 4.43Å; E112-L212 HydrophobicContact CG-CD1 4.19Å; R208-L212 HydrophobicContact CG-CD1 4.32Å; R208-L212 WeakPolarHBondContact O-CG 3.47Å; R208-L212 PolarHBondContact O-N 2.89Å; E209-L212 PolarHBondContact O-N 3.32Å; E209-L212 VanDerWaalsContact O-N 3.14Å; L212-I215 PolarHBondContact O-N 3.4Å; L212-A216 WeakPolarHBondContact O-CB 3.46Å; L212-A216 PolarHBondContact O-N 2.96Å |
| 213 | F | 96.7 | Very high | 95.4 | Very high | 84 Ų | 84 | 67.5 Ų | 67.5 | 37% | 0.368 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 175.8 | -179.9 | -100.7 | 0 | 0 | 0 | 111.9 | E209 K210 K211 I215 A216 Q217 | E209-F213 WeakPolarHBondContact O-CB 3.48Å; E209-F213 PolarHBondContact O-N 3.43Å; K210-F213 WeakPolarHBondContact O-CB 3.31Å; K210-F213 PolarHBondContact O-N 3.31Å; K211-F213 VanDerWaalsContact C-N 3.29Å; K211-F213 PolarHBondContact O-N 3.39Å; F213-I215 PolarHBondContact O-N 3.4Å; F213-A216 PolarHBondContact O-N 2.89Å; F213-Q217 HydrophobicContact CE1-CG 4.38Å; F213-Q217 HydrophobicContact CZ-CG 4.46Å; F213-Q217 WeakPolarHBondContact O-CG 3.37Å; F213-Q217 PolarHBondContact O-N 3.41Å |
| 214 | V | 96.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 68.2 Ų | 68.2 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | K210 K211 Q217 K218 N240 | K210-V214 WeakPolarHBondContact O-CG2 3.35Å; K210-V214 PolarHBondContact O-N 2.9Å; K211-V214 PolarHBondContact O-N 3.21Å; V214-Q217 PolarHBondContact O-N 2.86Å; V214-K218 HydrophobicContact CG1-CD 4.08Å; V214-K218 HydrophobicContact CG1-CG 4.5Å; V214-K218 VanDerWaalsContact O-CG 3.31Å; V214-K218 WeakPolarHBondContact O-CG 3.37Å; V214-K218 PolarHBondContact O-N 3.46Å; V214-N240 WeakPolarHBondContact CG2-O 3.39Å |
| 215 | I | 96.7 | Very high | 95.2 | Very high | 75 Ų | 75 | 63.9 Ų | 63.9 | 39% | 0.385 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.3 | -64.2 | 165.4 | 0 | 0 | 0 | 110.2 | I105 K211 L212 F213 Q217 K218 I219 | I105-I215 HydrophobicContact CD1-CG2 3.64Å; K211-I215 VanDerWaalsContact O-CG1 3.23Å; K211-I215 WeakPolarHBondContact O-CG1 3.47Å; K211-I215 PolarHBondContact O-N 3.19Å; L212-I215 PolarHBondContact O-N 3.4Å; F213-I215 PolarHBondContact O-N 3.4Å; I215-Q217 VanDerWaalsContact C-N 3.33Å; I215-Q217 PolarHBondContact O-N 2.96Å; I215-K218 PolarHBondContact O-N 3.3Å; I215-I219 HydrophobicContact CG2-CD1 3.82Å; I215-I219 HydrophobicContact CG2-CG1 4.4Å; I215-I219 WeakPolarHBondContact O-CG1 3.48Å; I215-I219 PolarHBondContact O-N 3.4Å |
| 216 | A | 96.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.2 | -48 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | I105 L212 F213 K218 I219 Q220 | I105-A216 HydrophobicContact CG2-CB 3.9Å; L212-A216 WeakPolarHBondContact O-CB 3.46Å; L212-A216 PolarHBondContact O-N 2.96Å; F213-A216 PolarHBondContact O-N 2.89Å; A216-K218 VanDerWaalsContact C-N 3.35Å; A216-K218 PolarHBondContact O-N 2.95Å; A216-I219 PolarHBondContact O-N 2.97Å; A216-Q220 VanDerWaalsContact O-CB 3.25Å; A216-Q220 WeakPolarHBondContact O-CB 3.41Å; A216-Q220 PolarHBondContact O-N 2.87Å |
| 217 | Q | 96.1 | Very high | 94.6 | Very high | 69 Ų | 69 | 63.5 Ų | 63.5 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.2 | -73 | -171.8 | -13.5 | 0 | 0 | 113 | F213 V214 I215 T221 P242 | F213-Q217 HydrophobicContact CE1-CG 4.38Å; F213-Q217 HydrophobicContact CZ-CG 4.46Å; F213-Q217 WeakPolarHBondContact O-CG 3.37Å; F213-Q217 PolarHBondContact O-N 3.41Å; V214-Q217 PolarHBondContact O-N 2.86Å; I215-Q217 VanDerWaalsContact C-N 3.33Å; I215-Q217 PolarHBondContact O-N 2.96Å; Q217-T221 WeakPolarHBondContact O-CB 3.49Å; Q217-T221 PolarHBondContact O-N 3.1Å; Q217-T221 PolarHBondContact O-OG1 3.48Å; Q217-P242 HydrophobicContact CB-CB 4.39Å; Q217-P242 HydrophobicContact CB-CG 3.98Å; Q217-P242 VanDerWaalsContact OE1-CD 3.31Å |
| 218 | K | 96.1 | Very high | 94.1 | Very high | 34 Ų | 34 | 69.3 Ų | 69.3 | 15% | 0.148 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 178.1 | -75.7 | 173.5 | 172.8 | -146.2 | 0 | 112 | V214 I215 A216 T221 R222 E237 T238 P242 | V214-K218 HydrophobicContact CG1-CD 4.08Å; V214-K218 HydrophobicContact CG1-CG 4.5Å; V214-K218 VanDerWaalsContact O-CG 3.31Å; V214-K218 WeakPolarHBondContact O-CG 3.37Å; V214-K218 PolarHBondContact O-N 3.46Å; I215-K218 PolarHBondContact O-N 3.3Å; A216-K218 VanDerWaalsContact C-N 3.35Å; A216-K218 PolarHBondContact O-N 2.95Å; K218-T221 PolarHBondContact O-N 3.44Å; K218-R222 WeakPolarHBondContact O-CG 3.37Å; K218-R222 PolarHBondContact O-N 3.07Å; K218-E237 VanDerWaalsContact CD-OE1 3.23Å; K218-E237 WeakPolarHBondContact CD-OE1 2.88Å; K218-E237 WeakPolarHBondContact CE-OE1 3.41Å; K218-E237 IonicContact NZ-OE1 2.67Å; K218-E237 PolarHBondContact NZ-OE1 2.91Å; K218-T238 VanDerWaalsContact CE-O 3.28Å; K218-T238 WeakPolarHBondContact CE-O 3.49Å; K218-T238 PolarHBondContact NZ-O 3.47Å; K218-P242 HydrophobicContact CG-CB 4.04Å |
| 219 | I | 95.8 | Very high | 93.6 | Very high | 24 Ų | 24 | 65.1 Ų | 65.1 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 179.7 | -59.3 | 169.9 | 0 | 0 | 0 | 110.1 | R98 D101 V102 I105 I215 A216 T221 R222 K223 | R98-I219 HydrophobicContact CB-CG2 4.24Å; R98-I219 HydrophobicContact CG-CG2 4.42Å; D101-I219 HydrophobicContact CB-CD1 4.34Å; D101-I219 HydrophobicContact CB-CG2 4.39Å; V102-I219 HydrophobicContact CG2-CB 3.83Å; V102-I219 HydrophobicContact CG2-CG2 3.44Å; V102-I219 VanDerWaalsContact CG2-CG2 3.44Å; I105-I219 HydrophobicContact CD1-CD1 3.2Å; I215-I219 HydrophobicContact CG2-CD1 3.82Å; I215-I219 HydrophobicContact CG2-CG1 4.4Å; I215-I219 WeakPolarHBondContact O-CG1 3.48Å; I215-I219 PolarHBondContact O-N 3.4Å; A216-I219 PolarHBondContact O-N 2.97Å; I219-T221 VanDerWaalsContact C-N 3.35Å; I219-T221 PolarHBondContact O-N 3.48Å; I219-R222 PolarHBondContact O-N 3.04Å; I219-R222 VanDerWaalsContact O-N 3.17Å; I219-K223 PolarHBondContact O-N 2.84Å |
| 220 | Q | 94.9 | Very high | 93.3 | Very high | 63 Ų | 63 | 69.3 Ų | 69.3 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.5 | -47.3 | 174.7 | -176.1 | 56.1 | 37.1 | 0 | 0 | 111.1 | A216 R222 K223 D224 | A216-Q220 VanDerWaalsContact O-CB 3.25Å; A216-Q220 WeakPolarHBondContact O-CB 3.41Å; A216-Q220 PolarHBondContact O-N 2.87Å; Q220-R222 VanDerWaalsContact C-N 3.34Å; Q220-R222 PolarHBondContact O-N 3.29Å; Q220-K223 WeakPolarHBondContact O-CB 3.29Å; Q220-K223 PolarHBondContact O-N 3.27Å; Q220-K223 VanDerWaalsContact O-N 3.1Å; Q220-D224 VanDerWaalsContact NE2-CG 3.34Å; Q220-D224 PolarHBondContact NE2-OD1 3.46Å; Q220-D224 PolarHBondContact NE2-OD2 3.38Å; Q220-D224 VanDerWaalsContact NE2-OD2 3.13Å; Q220-D224 VanDerWaalsContact O-CG 3.24Å; Q220-D224 PolarHBondContact O-N 3.04Å |
| 221 | T | 93.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 66.5 Ų | 66.5 | 21% | 0.209 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 174.8 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | Q217 K218 I219 K223 D224 L225 Y245 | Q217-T221 WeakPolarHBondContact O-CB 3.49Å; Q217-T221 PolarHBondContact O-N 3.1Å; Q217-T221 PolarHBondContact O-OG1 3.48Å; K218-T221 PolarHBondContact O-N 3.44Å; I219-T221 VanDerWaalsContact C-N 3.35Å; I219-T221 PolarHBondContact O-N 3.48Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 3.38Å; T221-D224 PolarHBondContact O-N 3.27Å; T221-L225 HydrophobicContact CG2-CD1 4.23Å; T221-L225 HydrophobicContact CG2-CG 4.38Å; T221-L225 WeakPolarHBondContact O-CG 3.32Å; T221-L225 PolarHBondContact O-N 3.21Å; T221-Y245 HydrophobicContact CG2-CD2 3.98Å; T221-Y245 HydrophobicContact CG2-CE2 3.92Å |
| 222 | R | 92.8 | Very high | 93.1 | Very high | 114 Ų | 114 | 64.9 Ų | 64.9 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | 177.7 | -72.2 | 172.3 | -173.4 | 172.3 | 4 | 112.5 | R98 K218 I219 Q220 M226 E237 | R98-R222 PolarHBondContact NH1-O 3.33Å; K218-R222 WeakPolarHBondContact O-CG 3.37Å; K218-R222 PolarHBondContact O-N 3.07Å; I219-R222 PolarHBondContact O-N 3.04Å; I219-R222 VanDerWaalsContact O-N 3.17Å; Q220-R222 VanDerWaalsContact C-N 3.34Å; Q220-R222 PolarHBondContact O-N 3.29Å; R222-M226 WeakPolarHBondContact O-CG 3.37Å; R222-E237 IonicContact NH2-OE1 3.57Å; R222-E237 PolarHBondContact NH2-OE1 2.95Å; R222-E237 IonicContact NH2-OE2 2.73Å; R222-E237 PolarHBondContact NH2-OE2 3.14Å |
| 223 | K | 93.1 | Very high | 93 | Very high | 42 Ų | 42 | 69 Ų | 69 | 18% | 0.183 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 174.1 | 176.6 | -177.8 | 165 | 175.4 | 0 | 111.1 | K95 R98 T99 I219 Q220 T221 L225 M226 | K95-K223 HydrophobicContact CG-CG 4.49Å; R98-K223 HydrophobicContact CB-CB 4.39Å; T99-K223 VanDerWaalsContact OG1-CE 3.27Å; T99-K223 WeakPolarHBondContact OG1-CE 3.27Å; T99-K223 PolarHBondContact OG1-NZ 3.09Å; I219-K223 PolarHBondContact O-N 2.84Å; Q220-K223 WeakPolarHBondContact O-CB 3.29Å; Q220-K223 PolarHBondContact O-N 3.27Å; Q220-K223 VanDerWaalsContact O-N 3.1Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 3.38Å; K223-L225 PolarHBondContact O-N 3.31Å; K223-M226 VanDerWaalsContact O-CB 3.28Å; K223-M226 WeakPolarHBondContact O-CB 3.49Å; K223-M226 PolarHBondContact O-N 2.92Å |
| 224 | D | 91.5 | Very high | 93 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65 | -30.7 | 179.5 | -61.2 | -27.3 | 0 | 0 | 0 | 112 | Q220 T221 M226 D227 | Q220-D224 VanDerWaalsContact NE2-CG 3.34Å; Q220-D224 PolarHBondContact NE2-OD1 3.46Å; Q220-D224 PolarHBondContact NE2-OD2 3.38Å; Q220-D224 VanDerWaalsContact NE2-OD2 3.13Å; Q220-D224 VanDerWaalsContact O-CG 3.24Å; Q220-D224 PolarHBondContact O-N 3.04Å; T221-D224 PolarHBondContact O-N 3.27Å; D224-M226 PolarHBondContact O-N 3.18Å; D224-D227 PolarHBondContact O-N 2.96Å |
| 225 | L | 92.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 74.4 Ų | 74.4 | 21% | 0.209 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.3 | 172.7 | -67.5 | 174.1 | 0 | 0 | 0 | 113.9 | T221 K223 D227 K231 Y245 | T221-L225 HydrophobicContact CG2-CD1 4.23Å; T221-L225 HydrophobicContact CG2-CG 4.38Å; T221-L225 WeakPolarHBondContact O-CG 3.32Å; T221-L225 PolarHBondContact O-N 3.21Å; K223-L225 PolarHBondContact O-N 3.31Å; L225-D227 VanDerWaalsContact C-N 3.3Å; L225-K231 HydrophobicContact CD2-CD 3.62Å; L225-K231 HydrophobicContact CD2-CG 4.38Å; L225-K231 PolarHBondContact O-NZ 2.95Å; L225-Y245 HydrophobicContact CD1-CD2 4.29Å; L225-Y245 HydrophobicContact CD1-CE1 4.21Å; L225-Y245 HydrophobicContact CD1-CE2 3.53Å; L225-Y245 VanDerWaalsContact CD1-CZ 3.47Å; L225-Y245 WeakPolarHBondContact CD1-OH 3.44Å; L225-Y245 HydrophobicContact CD2-CD1 3.75Å; L225-Y245 HydrophobicContact CD2-CD2 3.82Å; L225-Y245 HydrophobicContact CD2-CE1 3.76Å; L225-Y245 HydrophobicContact CD2-CE2 3.83Å; L225-Y245 HydrophobicContact CD2-CG 3.77Å; L225-Y245 HydrophobicContact CG-CD2 4.46Å; L225-Y245 HydrophobicContact CG-CE2 4.16Å |
| 226 | M | 89.3 | Confident | 92.9 | Very high | 50 Ų | 50 | 79.2 Ų | 79.2 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -18.3 | 174.3 | -59.2 | 179.7 | 73.1 | 0 | 0 | 112.3 | P91 L94 K95 R98 R222 K223 D224 | P91-M226 WeakPolarHBondContact O-CE 3.29Å; L94-M226 HydrophobicContact CB-CE 3.65Å; K95-M226 HydrophobicContact CB-CE 3.98Å; K95-M226 HydrophobicContact CB-SD 4.03Å; K95-M226 HydrophobicContact CG-SD 4.48Å; R98-M226 PolarHBondContact NH1-SD 3.48Å; R222-M226 WeakPolarHBondContact O-CG 3.37Å; K223-M226 VanDerWaalsContact O-CB 3.28Å; K223-M226 WeakPolarHBondContact O-CB 3.49Å; K223-M226 PolarHBondContact O-N 2.92Å; D224-M226 PolarHBondContact O-N 3.18Å |
| 227 | D | 86.7 | Confident | 92.7 | Very high | 45 Ų | 45 | 82.9 Ų | 82.9 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -69.4 | 142 | 175.6 | -70.4 | -6.8 | 0 | 0 | 0 | 110.4 | K95 D224 L225 T229 K231 K252 | K95-D227 IonicContact NZ-OD1 3.69Å; K95-D227 PolarHBondContact NZ-OD1 2.91Å; D224-D227 PolarHBondContact O-N 2.96Å; L225-D227 VanDerWaalsContact C-N 3.3Å; D227-T229 PolarHBondContact O-N 3.36Å; D227-K231 PolarHBondContact O-NZ 3.38Å; D227-K252 IonicContact OD2-NZ 3.36Å |
| 228 | K | 84.5 | Confident | 92.7 | Very high | 221 Ų | 221 | 83 Ų | 83 | 96% | 0.961 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -75.3 | 47.8 | -178.3 | -62.7 | -178.6 | -179.6 | 177.8 | 0 | 112.5 | ||
| 229 | T | 87.3 | Confident | 92.5 | Very high | 47 Ų | 47 | 87.4 Ų | 87.4 | 29% | 0.288 | 43% | 0.429 | S | S | . | . | trans | -102 | 142 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | D227 K231 F247 | D227-T229 PolarHBondContact O-N 3.36Å; T229-K231 PolarHBondContact O-N 3.22Å; T229-F247 WeakPolarHBondContact OG1-CD1 3.38Å; T229-F247 WeakPolarHBondContact OG1-CE1 2.75Å | ||
| 230 | Q | 89.8 | Confident | 92.4 | Very high | 135 Ų | 135 | 92.6 Ų | 92.6 | 63% | 0.631 | 46% | 0.457 | S | S | * | . | trans | -65.7 | 131.2 | 171 | -83 | -172 | -5.4 | 0 | 0 | 110.1 | Q248 | Q230-Q248 HydrophobicContact CB-CB 4.08Å; Q230-Q248 PolarHBondContact O-N 3.46Å | ||
| 231 | K | 93.1 | Very high | 92.3 | Very high | 68 Ų | 68 | 91.7 Ų | 91.7 | 30% | 0.296 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 145.2 | -175.6 | 61.4 | -146.8 | 175.8 | -143 | 0 | 111.6 | L225 D227 T229 K246 F247 | L225-K231 HydrophobicContact CD2-CD 3.62Å; L225-K231 HydrophobicContact CD2-CG 4.38Å; L225-K231 PolarHBondContact O-NZ 2.95Å; D227-K231 PolarHBondContact O-NZ 3.38Å; T229-K231 PolarHBondContact O-N 3.22Å; K231-K246 WeakPolarHBondContact CA-O 3.47Å; K231-F247 HydrophobicContact CB-CD1 3.83Å; K231-F247 HydrophobicContact CB-CE1 3.99Å; K231-F247 HydrophobicContact CB-CG 4.41Å; K231-F247 HydrophobicContact CD-CD1 4.31Å; K231-F247 HydrophobicContact CD-CE1 3.72Å; K231-F247 HydrophobicContact CD-CZ 4.4Å |
| 232 | V | 94.4 | Very high | 92.4 | Very high | 102 Ų | 102 | 91 Ų | 91 | 62% | 0.618 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.1 | 176.3 | -178 | 0 | 0 | 0 | 0 | 108.5 | V234 Y245 K246 | V232-V234 PolarHBondContact O-N 2.98Å; V232-Y245 CarbonylContact O-C 3.6Å; V232-Y245 WeakPolarHBondContact O-CA 3.34Å; V232-K246 PolarHBondContact N-O 3.35Å; V232-K246 PolarHBondContact O-N 3.35Å |
| 233 | K | 95.8 | Very high | 92.5 | Very high | 113 Ų | 113 | 86 Ų | 86 | 49% | 0.491 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 121 | 174.5 | -178.4 | 177.7 | -79.6 | 174.4 | 0 | 108.9 | Y245 | K233-Y245 HydrophobicContact CB-CD1 3.85Å; K233-Y245 HydrophobicContact CB-CE1 3.65Å; K233-Y245 HydrophobicContact CD-CE1 4.43Å; K233-Y245 WeakPolarHBondContact CE-OH 3.43Å; K233-Y245 HydrophobicContact CG-CD1 4.4Å; K233-Y245 HydrophobicContact CG-CE1 4.02Å; K233-Y245 PolarHBondContact NZ-OH 3.21Å |
| 234 | V | 95.8 | Very high | 92.6 | Very high | 89 Ų | 89 | 88 Ų | 88 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -44.5 | 179.2 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | V232 I244 K246 | V232-V234 PolarHBondContact O-N 2.98Å; V234-I244 PolarHBondContact N-O 3.36Å; V234-K246 HydrophobicContact CG2-CB 3.69Å |
| 235 | K | 95.5 | Very high | 92.8 | Very high | 131 Ų | 131 | 87.7 Ų | 87.7 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 141.2 | 177.6 | -61.7 | -168.5 | -176.8 | 177.1 | 0 | 111 | A243 I244 | K235-A243 WeakPolarHBondContact O-CA 3.21Å; K235-I244 HydrophobicContact CB-CB 4.13Å; K235-I244 HydrophobicContact CB-CG1 4.32Å; K235-I244 HydrophobicContact CD-CD1 4.12Å; K235-I244 PolarHBondContact N-O 2.96Å; K235-I244 PolarHBondContact O-N 3.41Å; K235-I244 VanDerWaalsContact O-N 3.11Å |
| 236 | K | 94.9 | Very high | 92.9 | Very high | 176 Ų | 176 | 93.1 Ų | 93.1 | 77% | 0.765 | 47% | 0.465 | S | S | * | . | trans | -71.3 | 157.7 | 176.4 | -66.6 | -177.4 | -179.3 | 177.4 | 0 | 110.8 | ||||
| 237 | E | 94 | Very high | 93.1 | Very high | 82 Ų | 82 | 95.2 Ų | 95.2 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | trans | -67.8 | 138 | 175.7 | -169.4 | 179.8 | 154.6 | 0 | 0 | 109.4 | K218 R222 A243 | K218-E237 VanDerWaalsContact CD-OE1 3.23Å; K218-E237 WeakPolarHBondContact CD-OE1 2.88Å; K218-E237 WeakPolarHBondContact CE-OE1 3.41Å; K218-E237 IonicContact NZ-OE1 2.67Å; K218-E237 PolarHBondContact NZ-OE1 2.91Å; R222-E237 IonicContact NH2-OE1 3.57Å; R222-E237 PolarHBondContact NH2-OE1 2.95Å; R222-E237 IonicContact NH2-OE2 2.73Å; R222-E237 PolarHBondContact NH2-OE2 3.14Å; E237-A243 HydrophobicContact CB-CB 4Å | ||
| 238 | T | 94.8 | Very high | 93.3 | Very high | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.442 | 49% | 0.485 | S | S | . | . | trans | -118.1 | 176.3 | 172.9 | 73.3 | 0 | 0 | 0 | 0 | 109.8 | K218 N240 S241 | K218-T238 VanDerWaalsContact CE-O 3.28Å; K218-T238 WeakPolarHBondContact CE-O 3.49Å; K218-T238 PolarHBondContact NZ-O 3.47Å; T238-N240 VanDerWaalsContact C-N 3.25Å; T238-N240 PolarHBondContact O-N 2.86Å; T238-N240 PolarHBondContact OG1-N 3.03Å; T238-S241 PolarHBondContact N-O 3.31Å; T238-S241 VanDerWaalsContact N-O 3.09Å; T238-S241 VanDerWaalsContact O-O 3.04Å; T238-S241 PolarHBondContact OG1-N 3.21Å; T238-S241 PolarHBondContact OG1-OG 2.69Å | ||
| 239 | V | 92.8 | Very high | 93.6 | Very high | 126 Ų | 126 | 93.8 Ų | 93.8 | 76% | 0.764 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -60.4 | -40.4 | 174.7 | -180 | 0 | 0 | 0 | 0 | 110.8 | ||
| 240 | N | 93.3 | Very high | 93.6 | Very high | 132 Ų | 132 | 100.4 Ų | 100.4 | 71% | 0.706 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -97.6 | -8.8 | -170.6 | -62.6 | -26.8 | 0 | 0 | 0 | 114.2 | V214 T238 | V214-N240 WeakPolarHBondContact CG2-O 3.39Å; T238-N240 VanDerWaalsContact C-N 3.25Å; T238-N240 PolarHBondContact O-N 2.86Å; T238-N240 PolarHBondContact OG1-N 3.03Å |
| 241 | S | 93.4 | Very high | 93.5 | Very high | 45 Ų | 45 | 104.7 Ų | 104.7 | 32% | 0.315 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -141.9 | 147.4 | -177.2 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | T238 | T238-S241 PolarHBondContact N-O 3.31Å; T238-S241 VanDerWaalsContact N-O 3.09Å; T238-S241 VanDerWaalsContact O-O 3.04Å; T238-S241 PolarHBondContact OG1-N 3.21Å; T238-S241 PolarHBondContact OG1-OG 2.69Å |
| 242 | P | 95 | Very high | 93.1 | Very high | 19 Ų | 19 | 108.7 Ų | 108.7 | 12% | 0.123 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 162.5 | 167.8 | 32.7 | -38.9 | 0 | 0 | 0 | 111.1 | Q217 K218 | Q217-P242 HydrophobicContact CB-CB 4.39Å; Q217-P242 HydrophobicContact CB-CG 3.98Å; Q217-P242 VanDerWaalsContact OE1-CD 3.31Å; K218-P242 HydrophobicContact CG-CB 4.04Å |
| 243 | A | 95.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 118.1 Ų | 118.1 | 7% | 0.066 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -66.8 | 141.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K235 E237 Y245 | K235-A243 WeakPolarHBondContact O-CA 3.21Å; E237-A243 HydrophobicContact CB-CB 4Å; A243-Y245 HydrophobicContact CB-CD2 4.32Å; A243-Y245 HydrophobicContact CB-CE2 3.52Å |
| 244 | I | 95.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 118.4 Ų | 118.4 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.6 | 179.7 | -55 | -176.4 | 0 | 0 | 0 | 109 | V234 K235 | V234-I244 PolarHBondContact N-O 3.36Å; K235-I244 HydrophobicContact CB-CB 4.13Å; K235-I244 HydrophobicContact CB-CG1 4.32Å; K235-I244 HydrophobicContact CD-CD1 4.12Å; K235-I244 PolarHBondContact N-O 2.96Å; K235-I244 PolarHBondContact O-N 3.41Å; K235-I244 VanDerWaalsContact O-N 3.11Å |
| 245 | Y | 94.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 119.9 Ų | 119.9 | 21% | 0.212 | 56% | 0.559 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.9 | 177.9 | -64.2 | -97.8 | 0 | 0 | 0 | 110.1 | T221 L225 V232 K233 A243 | T221-Y245 HydrophobicContact CG2-CD2 3.98Å; T221-Y245 HydrophobicContact CG2-CE2 3.92Å; L225-Y245 HydrophobicContact CD1-CD2 4.29Å; L225-Y245 HydrophobicContact CD1-CE1 4.21Å; L225-Y245 HydrophobicContact CD1-CE2 3.53Å; L225-Y245 VanDerWaalsContact CD1-CZ 3.47Å; L225-Y245 WeakPolarHBondContact CD1-OH 3.44Å; L225-Y245 HydrophobicContact CD2-CD1 3.75Å; L225-Y245 HydrophobicContact CD2-CD2 3.82Å; L225-Y245 HydrophobicContact CD2-CE1 3.76Å; L225-Y245 HydrophobicContact CD2-CE2 3.83Å; L225-Y245 HydrophobicContact CD2-CG 3.77Å; L225-Y245 HydrophobicContact CG-CD2 4.46Å; L225-Y245 HydrophobicContact CG-CE2 4.16Å; V232-Y245 CarbonylContact O-C 3.6Å; V232-Y245 WeakPolarHBondContact O-CA 3.34Å; K233-Y245 HydrophobicContact CB-CD1 3.85Å; K233-Y245 HydrophobicContact CB-CE1 3.65Å; K233-Y245 HydrophobicContact CD-CE1 4.43Å; K233-Y245 WeakPolarHBondContact CE-OH 3.43Å; K233-Y245 HydrophobicContact CG-CD1 4.4Å; K233-Y245 HydrophobicContact CG-CE1 4.02Å; K233-Y245 PolarHBondContact NZ-OH 3.21Å; A243-Y245 HydrophobicContact CB-CD2 4.32Å; A243-Y245 HydrophobicContact CB-CE2 3.52Å |
| 246 | K | 94.5 | Very high | 91.9 | Very high | 155 Ų | 155 | 119.3 Ų | 119.3 | 67% | 0.674 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 114.8 | 168.7 | -174.4 | 178.1 | -178.4 | -179.7 | 0 | 107.7 | K231 V232 V234 | K231-K246 WeakPolarHBondContact CA-O 3.47Å; V232-K246 PolarHBondContact N-O 3.35Å; V232-K246 PolarHBondContact O-N 3.35Å; V234-K246 HydrophobicContact CG2-CB 3.69Å |
| 247 | F | 93.1 | Very high | 91.7 | Very high | 93 Ų | 93 | 115.9 Ų | 115.9 | 41% | 0.408 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 150.1 | 173.2 | -68 | -90.7 | 0 | 0 | 0 | 110 | T229 K231 S249 | T229-F247 WeakPolarHBondContact OG1-CD1 3.38Å; T229-F247 WeakPolarHBondContact OG1-CE1 2.75Å; K231-F247 HydrophobicContact CB-CD1 3.83Å; K231-F247 HydrophobicContact CB-CE1 3.99Å; K231-F247 HydrophobicContact CB-CG 4.41Å; K231-F247 HydrophobicContact CD-CD1 4.31Å; K231-F247 HydrophobicContact CD-CE1 3.72Å; K231-F247 HydrophobicContact CD-CZ 4.4Å; F247-S249 PolarHBondContact O-N 3.09Å |
| 248 | Q | 91.4 | Very high | 91.6 | Very high | 104 Ų | 104 | 118.1 Ų | 118.1 | 49% | 0.486 | 56% | 0.557 | S | S | . | * | trans | -57.8 | 133.5 | 173.7 | -171.9 | -178.8 | 25.1 | 0 | 0 | 109.8 | Q230 R250 | Q230-Q248 HydrophobicContact CB-CB 4.08Å; Q230-Q248 PolarHBondContact O-N 3.46Å; Q248-R250 PolarHBondContact O-N 3.01Å | ||
| 249 | S | 90.6 | Very high | 91.4 | Very high | 133 Ų | 133 | 121.1 Ų | 121.1 | 93% | 0.93 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -72.6 | 82.4 | 176.2 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | F247 | F247-S249 PolarHBondContact O-N 3.09Š|
| 250 | R | 88.4 | Confident | 91.3 | Very high | 185 Ų | 185 | 120.8 Ų | 120.8 | 70% | 0.698 | 55% | 0.55 | S | S | * | * | trans | -137.6 | 125.5 | 176.9 | -175.1 | 177 | 178.7 | 179.6 | 1.2 | 108.6 | Q248 K252 | Q248-R250 PolarHBondContact O-N 3.01Å; R250-K252 PolarHBondContact O-N 3.45Å | ||
| 251 | R | 86.4 | Confident | 91.1 | Very high | 226 Ų | 226 | 119.9 Ų | 119.9 | 85% | 0.853 | 54% | 0.538 | S | S | * | . | trans | -63.3 | 128.4 | 172.3 | 177.9 | 174.4 | 161.1 | 179.6 | -4.4 | 109 | R253 | R251-R253 PolarHBondContact O-N 3.06Š| ||
| 252 | K | 84.9 | Confident | 90.9 | Very high | 151 Ų | 151 | 126.2 Ų | 126.2 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | trans | -65.3 | 125.2 | 169.2 | -65.1 | -171.8 | 178.1 | -175.3 | 0 | 107.4 | D227 R250 | D227-K252 IonicContact OD2-NZ 3.36Å; R250-K252 PolarHBondContact O-N 3.45Å | ||
| 253 | R | 81 | Confident | 90.5 | Very high | 300 Ų | 300 | 135.9 Ų | 135.9 | 100% | 1.132 | 60% | 0.596 | S | S | * | * | trans | -74.1 | 0 | 171.5 | -75.5 | -172.4 | 177.9 | -177.5 | -1.9 | 109.2 | R251 | R251-R253 PolarHBondContact O-N 3.06Š|
Retrieved 253 of 253 residues in 396.8 ms
(Link to these results)