| 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 | 51.2 | Low | 49.7 | Very low | 254 Ų | 254 | 133.8 Ų | 133.8 | 100% | 1.251 | 83% | 0.833 | S | S | * | * | 0 | 109.2 | 0 | -75.5 | 164 | 151.4 | 0 | 0 | 107.4 | |||||
| 2 | G | 45.8 | Very low | 49.8 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 84% | 0.838 | S | S | * | * | trans | 163.2 | 80.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 3 | A | 52.3 | Low | 49.5 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | trans | -82.8 | 130 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L5 | A3-L5 PolarHBondContact O-N 3.34Š| ||
| 4 | P | 56 | Low | 49.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | trans | -79.2 | 109.1 | 160.3 | 29.2 | -27.9 | 0 | 0 | 0 | 108.6 | L6 | P4-L6 PolarHBondContact O-N 2.96Å; P4-L6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | L | 48.5 | Very low | 50 | Low | 159 Ų | 159 | 122.5 Ų | 122.5 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -63.8 | 103.9 | 166.2 | -78.8 | 150.5 | 0 | 0 | 0 | 108.7 | A3 S7 | A3-L5 PolarHBondContact O-N 3.34Å; L5-S7 PolarHBondContact O-N 2.87Å; L5-S7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | L | 47.2 | Very low | 50.5 | Low | 166 Ų | 166 | 119.8 Ų | 119.8 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -64.6 | 107.5 | 161.4 | -121.4 | 81.7 | 0 | 0 | 0 | 107.6 | P4 | P4-L6 PolarHBondContact O-N 2.96Å; P4-L6 VanDerWaalsContact O-N 3.13Å | ||
| 7 | S | 56 | Low | 50.8 | Low | 102 Ų | 102 | 124.1 Ų | 124.1 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -83.4 | 123.4 | 165.8 | -57.3 | 0 | 0 | 0 | 0 | 108.2 | L5 G9 | L5-S7 PolarHBondContact O-N 2.87Å; L5-S7 VanDerWaalsContact O-N 3.11Å; S7-G9 PolarHBondContact O-N 2.97Å | ||
| 8 | P | 49.9 | Very low | 51.3 | Low | 111 Ų | 111 | 127.5 Ų | 127.5 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | -76.9 | 101 | 157.8 | 28.6 | -25.8 | 0 | 0 | 0 | 107.3 | W10 | P8-W10 PolarHBondContact O-N 3.24Å; P8-W10 VanDerWaalsContact O-N 3.07Å | ||
| 9 | G | 50.4 | Low | 51.4 | Low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -59.5 | 108.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S7 G11 | S7-G9 PolarHBondContact O-N 2.97Å; G9-G11 PolarHBondContact O-N 2.92Å; G9-G11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | W | 46.8 | Very low | 51.7 | Low | 245 Ų | 245 | 137.2 Ų | 137.2 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | trans | -78.3 | 96.9 | 164.7 | -86.7 | 30.9 | 0 | 0 | 0 | 107.8 | P8 A12 | P8-W10 PolarHBondContact O-N 3.24Å; P8-W10 VanDerWaalsContact O-N 3.07Å; W10-A12 PolarHBondContact O-N 2.92Å | ||
| 11 | G | 42.5 | Very low | 51.9 | Low | 75 Ų | 75 | 137.1 Ų | 137.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -55.7 | 131.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G9 G13 | G9-G11 PolarHBondContact O-N 2.92Å; G9-G11 VanDerWaalsContact O-N 3.14Å; G11-G13 PolarHBondContact O-N 3.35Å; G11-G13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | A | 51.3 | Low | 52.4 | Low | 109 Ų | 109 | 131.4 Ų | 131.4 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | trans | -58 | 109 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | W10 | W10-A12 PolarHBondContact O-N 2.92Š| ||
| 13 | G | 46.3 | Very low | 53 | Low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -106 | 80 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G11 A15 | G11-G13 PolarHBondContact O-N 3.35Å; G11-G13 VanDerWaalsContact O-N 3.09Å; G13-A15 VanDerWaalsContact C-N 3.31Å; G13-A15 PolarHBondContact O-N 2.77Å | ||
| 14 | A | 52.6 | Low | 53.5 | Low | 105 Ų | 105 | 131.3 Ų | 131.3 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 80.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 15 | A | 53.8 | Low | 53.8 | Low | 80 Ų | 80 | 129.8 Ų | 129.8 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.5 | 8.8 | 171 | 0 | 0 | 0 | 0 | 0 | 116 | G13 R17 | G13-A15 VanDerWaalsContact C-N 3.31Å; G13-A15 PolarHBondContact O-N 2.77Å; A15-R17 PolarHBondContact O-N 2.92Å |
| 16 | G | 58 | Low | 54.3 | Low | 78 Ų | 78 | 127.4 Ų | 127.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -93.4 | 53.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R18 | G16-R18 PolarHBondContact O-N 3.31Š| ||
| 17 | R | 56 | Low | 55.1 | Low | 194 Ų | 194 | 125.3 Ų | 125.3 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | -63.3 | 105.3 | -177.9 | -84.9 | -179.2 | -84.9 | -99.1 | -1.1 | 111 | A15 W19 | A15-R17 PolarHBondContact O-N 2.92Å; R17-W19 VanDerWaalsContact C-N 3.33Å; R17-W19 PolarHBondContact O-N 3.05Å | ||
| 18 | R | 59.8 | Low | 55.5 | Low | 185 Ų | 185 | 123.8 Ų | 123.8 | 70% | 0.698 | 71% | 0.71 | S | S | * | * | 57.5 | 25.7 | 125 | -58 | 168 | 110.8 | -142.8 | 5.6 | 117.7 | G16 W20 M21 L22 | G16-R18 PolarHBondContact O-N 3.31Å; R18-W20 VanDerWaalsContact C-N 3.35Å; R18-W20 PolarHBondContact O-N 3.18Å; R18-M21 HydrophobicContact CB-CB 4.15Å; R18-M21 HydrophobicContact CB-CG 4.3Å; R18-M21 PolarHBondContact O-N 2.98Å; R18-L22 PolarHBondContact O-N 2.98Å | |||
| 19 | W | 52.8 | Low | 56.1 | Low | 217 Ų | 217 | 120.9 Ų | 120.9 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -65.3 | -37.4 | 175.3 | -82 | 28.5 | 0 | 0 | 0 | 112.6 | R17 M21 L22 L23 | R17-W19 VanDerWaalsContact C-N 3.33Å; R17-W19 PolarHBondContact O-N 3.05Å; W19-M21 VanDerWaalsContact C-N 3.26Å; W19-M21 PolarHBondContact O-N 3.1Å; W19-L22 PolarHBondContact O-N 3.46Å; W19-L23 PolarHBondContact O-N 3Å |
| 20 | W | 56 | Low | 56.5 | Low | 231 Ų | 231 | 123.8 Ų | 123.8 | 88% | 0.875 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -65.7 | -26.7 | 173.9 | -74.4 | 74 | 0 | 0 | 0 | 113.1 | R18 L23 A24 | R18-W20 VanDerWaalsContact C-N 3.35Å; R18-W20 PolarHBondContact O-N 3.18Å; W20-L23 PolarHBondContact O-N 3.36Å; W20-A24 WeakPolarHBondContact O-CB 3.43Å; W20-A24 PolarHBondContact O-N 2.97Å |
| 21 | M | 57.9 | Low | 57.3 | Low | 137 Ų | 137 | 119 Ų | 119 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -77.5 | -19.5 | 178 | -65.8 | -74.2 | -172.8 | 0 | 0 | 113 | R18 W19 P25 | R18-M21 HydrophobicContact CB-CB 4.15Å; R18-M21 HydrophobicContact CB-CG 4.3Å; R18-M21 PolarHBondContact O-N 2.98Å; W19-M21 VanDerWaalsContact C-N 3.26Å; W19-M21 PolarHBondContact O-N 3.1Å; M21-P25 WeakPolarHBondContact O-CD 3.13Å |
| 22 | L | 60.2 | Low | 58.3 | Low | 133 Ų | 133 | 122.4 Ų | 122.4 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -85.2 | -24.8 | 172.6 | -69.4 | 169 | 0 | 0 | 0 | 112.2 | R18 W19 | R18-L22 PolarHBondContact O-N 2.98Å; W19-L22 PolarHBondContact O-N 3.46Å |
| 23 | L | 58.3 | Low | 59 | Low | 113 Ų | 113 | 122.2 Ų | 122.2 | 59% | 0.592 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -87.9 | -22.5 | 172.8 | -88.6 | 153.1 | 0 | 0 | 0 | 113.4 | W19 W20 P25 L26 L27 | W19-L23 PolarHBondContact O-N 3Å; W20-L23 PolarHBondContact O-N 3.36Å; L23-P25 VanDerWaalsContact C-CD 3.49Å; L23-L26 HydrophobicContact CD2-CD1 4.42Å; L23-L26 WeakPolarHBondContact O-CB 3.26Å; L23-L26 PolarHBondContact O-N 3.44Å; L23-L27 PolarHBondContact O-N 3.37Å |
| 24 | A | 62.9 | Low | 60 | Low | 54 Ų | 54 | 129.7 Ų | 129.7 | 45% | 0.446 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.4 | -37.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | W20 L26 P28 | W20-A24 WeakPolarHBondContact O-CB 3.43Å; W20-A24 PolarHBondContact O-N 2.97Å; A24-L26 VanDerWaalsContact C-N 3.34Å; A24-P28 WeakPolarHBondContact O-CD 3.48Å |
| 25 | P | 62 | Low | 60.5 | Low | 87 Ų | 87 | 130.4 Ų | 130.4 | 57% | 0.565 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -13.8 | 175.9 | 30.1 | -34.1 | 0 | 0 | 0 | 113.9 | M21 L23 | M21-P25 WeakPolarHBondContact O-CD 3.13Å; L23-P25 VanDerWaalsContact C-CD 3.49Å |
| 26 | L | 59.9 | Low | 60.9 | Low | 109 Ų | 109 | 131.6 Ų | 131.6 | 57% | 0.571 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -82.6 | -27.5 | 177 | -80.1 | 159.2 | 0 | 0 | 0 | 112.7 | L23 A24 A29 L30 | L23-L26 HydrophobicContact CD2-CD1 4.42Å; L23-L26 WeakPolarHBondContact O-CB 3.26Å; L23-L26 PolarHBondContact O-N 3.44Å; A24-L26 VanDerWaalsContact C-N 3.34Å; L26-A29 PolarHBondContact O-N 3.03Å; L26-L30 PolarHBondContact O-N 2.9Å |
| 27 | L | 63.9 | Low | 61.1 | Low | 122 Ų | 122 | 130.7 Ų | 130.7 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62.3 | -46.5 | 178.4 | -147.4 | 94.8 | 0 | 0 | 0 | 113.8 | L23 A29 L30 L31 | L23-L27 PolarHBondContact O-N 3.37Å; L27-A29 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 3.06Å; L27-L31 PolarHBondContact O-N 3.24Å |
| 28 | P | 64.5 | Low | 61.5 | Low | 70 Ų | 70 | 126.3 Ų | 126.3 | 46% | 0.455 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -72.3 | -26.5 | 174.4 | 27.1 | -32.7 | 0 | 0 | 0 | 112.8 | A24 L31 L32 | A24-P28 WeakPolarHBondContact O-CD 3.48Å; P28-L31 PolarHBondContact O-N 3.46Å; P28-L32 PolarHBondContact O-N 2.88Å |
| 29 | A | 62.5 | Low | 62 | Low | 49 Ų | 49 | 122 Ų | 122 | 41% | 0.405 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -68.5 | -35.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L26 L27 L31 L32 | L26-A29 PolarHBondContact O-N 3.03Å; L27-A29 VanDerWaalsContact C-N 3.34Å; A29-L31 VanDerWaalsContact C-N 3.33Å; A29-L32 PolarHBondContact O-N 3.41Å |
| 30 | L | 59.5 | Low | 63.1 | Low | 134 Ų | 134 | 116.4 Ų | 116.4 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.6 | -31.2 | 174.1 | -169.2 | 66.5 | 0 | 0 | 0 | 112.4 | L26 L27 L32 | L26-L30 PolarHBondContact O-N 2.9Å; L27-L30 PolarHBondContact O-N 3.06Å; L30-L32 VanDerWaalsContact C-N 3.33Å |
| 31 | L | 62 | Low | 64 | Low | 145 Ų | 145 | 112.9 Ų | 112.9 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.9 | -15.9 | 175.3 | -79.1 | 158.6 | 0 | 0 | 0 | 114 | L27 P28 A29 | L27-L31 PolarHBondContact O-N 3.24Å; P28-L31 PolarHBondContact O-N 3.46Å; A29-L31 VanDerWaalsContact C-N 3.33Å |
| 32 | L | 63.8 | Low | 64.9 | Low | 146 Ų | 146 | 110.1 Ų | 110.1 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.7 | 176 | -78.4 | 158.8 | 0 | 0 | 0 | 113.3 | P28 A29 L30 R34 | P28-L32 PolarHBondContact O-N 2.88Å; A29-L32 PolarHBondContact O-N 3.41Å; L30-L32 VanDerWaalsContact C-N 3.33Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.4Å |
| 33 | V | 66.2 | Low | 65.9 | Low | 106 Ų | 106 | 108.9 Ų | 108.9 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | trans | -78.7 | 83.9 | 173.7 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | P35 | V33-P35 WeakPolarHBondContact O-CD 3.49Š| ||
| 34 | R | 67.8 | Low | 67.3 | Low | 229 Ų | 229 | 111.7 Ų | 111.7 | 86% | 0.864 | 66% | 0.657 | S | S | * | * | trans | -64.7 | 120.9 | 164.1 | -79.1 | -174.5 | 120.7 | 119.8 | -0.6 | 108.1 | L32 A36 | L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.4Å; R34-A36 PolarHBondContact O-N 2.83Å; R34-A36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | P | 63.4 | Low | 68.5 | Low | 119 Ų | 119 | 109.6 Ų | 109.6 | 77% | 0.773 | 64% | 0.639 | S | S | * | * | trans | -63.7 | 119.6 | 173.4 | 26.1 | -31.8 | 0 | 0 | 0 | 108.5 | V33 G37 | V33-P35 WeakPolarHBondContact O-CD 3.49Å; P35-G37 PolarHBondContact O-N 3.18Å | ||
| 36 | A | 61.3 | Low | 69.7 | Low | 106 Ų | 106 | 106.2 Ų | 106.2 | 88% | 0.876 | 62% | 0.62 | S | S | * | * | trans | -75.3 | 21.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R34 A38 | R34-A36 PolarHBondContact O-N 2.83Å; R34-A36 VanDerWaalsContact O-N 3.14Å; A36-A38 PolarHBondContact O-N 3.3Å; A36-A38 VanDerWaalsContact O-N 3.12Å | ||
| 37 | G | 62.8 | Low | 70.9 | Confident | 59 Ų | 59 | 105 Ų | 105 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | trans | -79.1 | 92.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P35 L39 | P35-G37 PolarHBondContact O-N 3.18Å; G37-L39 PolarHBondContact O-N 3.28Å; G37-L39 VanDerWaalsContact O-N 3.14Å | ||
| 38 | A | 63.3 | Low | 71.9 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 84% | 0.835 | 62% | 0.615 | S | S | * | * | trans | -70.1 | 0.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A36 | A36-A38 PolarHBondContact O-N 3.3Å; A36-A38 VanDerWaalsContact O-N 3.12Å | ||
| 39 | L | 70.9 | Confident | 73.2 | Confident | 94 Ų | 94 | 105 Ų | 105 | 49% | 0.492 | 60% | 0.602 | S | S | . | * | trans | -117.4 | 119.2 | -179.2 | -63.4 | 177.7 | 0 | 0 | 0 | 109.4 | G37 T47 | G37-L39 PolarHBondContact O-N 3.28Å; G37-L39 VanDerWaalsContact O-N 3.14Å; L39-T47 VanDerWaalsContact CD1-O 3.27Å; L39-T47 WeakPolarHBondContact CD1-O 3.21Å | ||
| 40 | V | 76.3 | Confident | 74.6 | Confident | 100 Ų | 100 | 103.4 Ų | 103.4 | 61% | 0.606 | 59% | 0.588 | S | S | * | * | trans | -95 | 128.9 | -178.2 | -178.8 | 0 | 0 | 0 | 0 | 109 | G42 L43 | V40-G42 PolarHBondContact O-N 3.33Å; V40-L43 PolarHBondContact O-N 3.22Å | ||
| 41 | E | 74.3 | Confident | 76.3 | Confident | 157 Ų | 157 | 99.3 Ų | 99.3 | 73% | 0.734 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | 131.9 | 171.9 | -74.3 | -176.9 | 165.8 | 0 | 0 | 110.5 | T47 | E41-T47 HydrophobicContact CG-CG2 3.58Š|
| 42 | G | 76.4 | Confident | 77.7 | Confident | 80 Ų | 80 | 99 Ų | 99 | 83% | 0.825 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.3 | -7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | V40 | V40-G42 PolarHBondContact O-N 3.33Š|
| 43 | L | 81.9 | Confident | 79.1 | Confident | 107 Ų | 107 | 93.3 Ų | 93.3 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -100.8 | 125 | 172 | -144 | 79.4 | 0 | 0 | 0 | 110.6 | V40 C45 G46 | V40-L43 PolarHBondContact O-N 3.22Å; L43-C45 PolarHBondContact O-N 2.92Å; L43-G46 PolarHBondContact O-N 2.94Å |
| 44 | Y | 87.3 | Confident | 80.3 | Confident | 172 Ų | 172 | 88.6 Ų | 88.6 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | -107 | 178.1 | -53.9 | -62.6 | 0 | 0 | 0 | 113.9 | T110 | Y44-T110 HydrophobicContact CD1-CG2 3.26Å; Y44-T110 HydrophobicContact CE1-CG2 3.92Å; Y44-T110 HydrophobicContact CG-CG2 4.07Å |
| 45 | C | 88.3 | Confident | 81.5 | Confident | 9 Ų | 9 | 81 Ų | 81 | 6% | 0.061 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 12.7 | 179.8 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | L43 T47 R48 C50 V53 A107 | L43-C45 PolarHBondContact O-N 2.92Å; C45-T47 PolarHBondContact O-N 3Å; C45-R48 VanDerWaalsContact CB-O 3.29Å; C45-R48 WeakPolarHBondContact CB-O 3.38Å; C45-R48 PolarHBondContact O-N 3.02Å; C45-C50 HydrophobicContact CB-CB 4.21Å; C45-C50 WeakPolarHBondContact CB-SG 3.47Å; C45-C50 WeakPolarHBondContact SG-CA 3.27Å; C45-C50 WeakPolarHBondContact SG-CB 3.49Å; C45-C50 CovalentContact SG-SG 2.05Å; C45-C50 PolarHBondContact SG-SG 3.04Å; C45-V53 HydrophobicContact CB-CG2 4.45Å; C45-A107 VanDerWaalsContact SG-CA 3.5Å; C45-A107 VanDerWaalsContact SG-CB 3.57Å |
| 46 | G | 87.4 | Confident | 83.1 | Confident | 17 Ų | 17 | 76.1 Ų | 76.1 | 18% | 0.175 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | -126 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L43 R48 | L43-G46 PolarHBondContact O-N 2.94Å; G46-R48 VanDerWaalsContact C-N 3.27Å; G46-R48 PolarHBondContact O-N 3.19Å |
| 47 | T | 84.3 | Confident | 84.6 | Confident | 83 Ų | 83 | 73.6 Ų | 73.6 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.4 | -179.3 | 50.3 | 0 | 0 | 0 | 0 | 114 | L39 E41 C45 | L39-T47 VanDerWaalsContact CD1-O 3.27Å; L39-T47 WeakPolarHBondContact CD1-O 3.21Å; E41-T47 HydrophobicContact CG-CG2 3.58Å; C45-T47 PolarHBondContact O-N 3Å |
| 48 | R | 86.5 | Confident | 86 | Confident | 160 Ų | 160 | 79 Ų | 79 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -112 | 149.1 | 179.5 | -61.6 | -175.3 | -178.1 | 168.9 | 2.2 | 111.2 | C45 G46 V53 | C45-R48 VanDerWaalsContact CB-O 3.29Å; C45-R48 WeakPolarHBondContact CB-O 3.38Å; C45-R48 PolarHBondContact O-N 3.02Å; G46-R48 VanDerWaalsContact C-N 3.27Å; G46-R48 PolarHBondContact O-N 3.19Å; R48-V53 HydrophobicContact CB-CG2 3.98Å |
| 49 | D | 90.8 | Very high | 87.3 | Confident | 33 Ų | 33 | 79.3 Ų | 79.3 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | trans | -74 | 133.8 | 172.2 | -165.5 | -36.5 | 0 | 0 | 0 | 110.4 | Y51 E52 V53 R58 | D49-Y51 PolarHBondContact O-N 3.09Å; D49-Y51 VanDerWaalsContact OD1-CD2 3.31Å; D49-Y51 WeakPolarHBondContact OD1-CD2 3.37Å; D49-Y51 PolarHBondContact OD1-N 3.1Å; D49-E52 HydrophobicContact CB-CB 4.23Å; D49-E52 HydrophobicContact CB-CG 3.93Å; D49-E52 WeakPolarHBondContact O-CB 3.34Å; D49-E52 PolarHBondContact O-N 3.21Å; D49-E52 VanDerWaalsContact O-N 3.09Å; D49-V53 WeakPolarHBondContact O-CG2 3.34Å; D49-V53 PolarHBondContact O-N 3.2Å; D49-R58 IonicContact OD2-CZ 2.65Å; D49-R58 IonicContact OD2-NH1 2.66Å; D49-R58 PolarHBondContact OD2-NH1 3.01Å; D49-R58 VanDerWaalsContact OD2-NH1 3.16Å; D49-R58 IonicContact OD2-NH2 2.58Å; D49-R58 PolarHBondContact OD2-NH2 3.44Å | ||
| 50 | C | 92.8 | Very high | 88.3 | Confident | 15 Ų | 15 | 75.1 Ų | 75.1 | 10% | 0.101 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.4 | -27.2 | 179.3 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | C45 L54 A107 L111 | C45-C50 HydrophobicContact CB-CB 4.21Å; C45-C50 WeakPolarHBondContact CB-SG 3.47Å; C45-C50 WeakPolarHBondContact SG-CA 3.27Å; C45-C50 WeakPolarHBondContact SG-CB 3.49Å; C45-C50 CovalentContact SG-SG 2.05Å; C45-C50 PolarHBondContact SG-SG 3.04Å; C50-L54 PolarHBondContact O-N 2.58Å; C50-A107 HydrophobicContact CB-CB 3.9Å; C50-L111 HydrophobicContact CB-CD2 4.2Å; C50-L111 HydrophobicContact CB-CG 4.3Å |
| 51 | Y | 93.9 | Very high | 89.1 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 18% | 0.184 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 173 | -69.3 | -84.1 | 0 | 0 | 0 | 111.7 | D49 L54 G55 V56 R58 L111 | D49-Y51 PolarHBondContact O-N 3.09Å; D49-Y51 VanDerWaalsContact OD1-CD2 3.31Å; D49-Y51 WeakPolarHBondContact OD1-CD2 3.37Å; D49-Y51 PolarHBondContact OD1-N 3.1Å; Y51-L54 PolarHBondContact O-N 2.97Å; Y51-G55 PolarHBondContact O-N 2.65Å; Y51-V56 HydrophobicContact CD1-CG2 4.07Å; Y51-V56 PolarHBondContact O-N 3.06Å; Y51-R58 HydrophobicContact CD2-CG 4.28Å; Y51-R58 HydrophobicContact CG-CG 4.28Å; Y51-L111 HydrophobicContact CD1-CD1 3.81Å; Y51-L111 HydrophobicContact CD1-CD2 4.17Å; Y51-L111 HydrophobicContact CD2-CD2 3.89Å; Y51-L111 HydrophobicContact CE1-CD1 3.84Å; Y51-L111 HydrophobicContact CE1-CD2 3.73Å; Y51-L111 HydrophobicContact CE1-CG 4.43Å; Y51-L111 HydrophobicContact CE2-CD2 3.41Å; Y51-L111 VanDerWaalsContact CE2-CD2 3.41Å; Y51-L111 HydrophobicContact CG-CD1 4.26Å; Y51-L111 HydrophobicContact CG-CD2 4.24Å |
| 52 | E | 92 | Very high | 90 | Very high | 139 Ų | 139 | 69.8 Ų | 69.8 | 65% | 0.65 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.7 | -39.4 | 178.5 | -67.7 | 174.9 | -178.2 | 0 | 0 | 111.6 | D49 L54 G55 | D49-E52 HydrophobicContact CB-CB 4.23Å; D49-E52 HydrophobicContact CB-CG 3.93Å; D49-E52 WeakPolarHBondContact O-CB 3.34Å; D49-E52 PolarHBondContact O-N 3.21Å; D49-E52 VanDerWaalsContact O-N 3.09Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 3Å; E52-G55 PolarHBondContact O-N 3.29Å |
| 53 | V | 92.4 | Very high | 90.8 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 16% | 0.164 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.2 | -43.8 | 174.1 | 165.6 | 0 | 0 | 0 | 0 | 111.8 | C45 R48 D49 G55 L103 V104 A107 | C45-V53 HydrophobicContact CB-CG2 4.45Å; R48-V53 HydrophobicContact CB-CG2 3.98Å; D49-V53 WeakPolarHBondContact O-CG2 3.34Å; D49-V53 PolarHBondContact O-N 3.2Å; V53-G55 VanDerWaalsContact C-N 3.29Å; V53-L103 HydrophobicContact CB-CD2 3.91Å; V53-L103 HydrophobicContact CG1-CD2 3.24Å; V53-L103 HydrophobicContact CG2-CD2 3.34Å; V53-V104 HydrophobicContact CG1-CG2 4.14Å; V53-A107 HydrophobicContact CB-CB 4.16Å; V53-A107 HydrophobicContact CG1-CB 3.76Å |
| 54 | L | 92.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -81.3 | -11.6 | 178.5 | -70.1 | 173.4 | 0 | 0 | 0 | 112.7 | C50 Y51 E52 V56 I65 L72 V104 A107 L111 | C50-L54 PolarHBondContact O-N 2.58Å; Y51-L54 PolarHBondContact O-N 2.97Å; E52-L54 VanDerWaalsContact C-N 3.28Å; E52-L54 PolarHBondContact O-N 3Å; L54-V56 VanDerWaalsContact C-N 3.34Å; L54-V56 HydrophobicContact CB-CG1 4.43Å; L54-V56 HydrophobicContact CB-CG2 3.9Å; L54-I65 HydrophobicContact CD1-CG2 4.05Å; L54-L72 HydrophobicContact CD2-CD1 4.02Å; L54-V104 HydrophobicContact CD2-CG1 3.93Å; L54-A107 HydrophobicContact CD1-CB 4.11Å; L54-A107 HydrophobicContact CD2-CB 4.42Å; L54-A107 HydrophobicContact CG-CB 3.92Å; L54-L111 HydrophobicContact CD1-CD1 3.59Å; L54-L111 HydrophobicContact CD1-CG 4.45Å |
| 55 | G | 93.2 | Very high | 91.8 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 71% | 0.711 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 32 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y51 E52 V53 | Y51-G55 PolarHBondContact O-N 2.65Å; E52-G55 PolarHBondContact O-N 3.29Å; V53-G55 VanDerWaalsContact C-N 3.29Å |
| 56 | V | 95.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | trans | -115.2 | 154.9 | -177.7 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | Y51 L54 A60 E64 I65 A68 | Y51-V56 HydrophobicContact CD1-CG2 4.07Å; Y51-V56 PolarHBondContact O-N 3.06Å; L54-V56 VanDerWaalsContact C-N 3.34Å; L54-V56 HydrophobicContact CB-CG1 4.43Å; L54-V56 HydrophobicContact CB-CG2 3.9Å; V56-A60 HydrophobicContact CB-CB 3.9Å; V56-A60 HydrophobicContact CG2-CB 4.34Å; V56-E64 HydrophobicContact CG1-CG 4.39Å; V56-I65 HydrophobicContact CG2-CG1 4.36Å; V56-A68 HydrophobicContact CG1-CB 3.54Å | ||
| 57 | S | 94.6 | Very high | 92.5 | Very high | 54 Ų | 54 | 69.6 Ų | 69.6 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | trans | -70.2 | 155.7 | 174 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | S59 A60 | S57-S59 PolarHBondContact O-N 3.45Å; S57-S59 PolarHBondContact OG-OG 3.34Å; S57-A60 WeakPolarHBondContact O-CB 3.22Å; S57-A60 PolarHBondContact O-N 2.93Å; S57-A60 PolarHBondContact OG-N 3.5Å | ||
| 58 | R | 90.6 | Very high | 93 | Very high | 173 Ų | 173 | 66.3 Ų | 66.3 | 65% | 0.653 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.3 | 172.2 | -66.3 | -177 | -173.9 | -89 | -4.8 | 113 | D49 Y51 A60 | D49-R58 IonicContact OD2-CZ 2.65Å; D49-R58 IonicContact OD2-NH1 2.66Å; D49-R58 PolarHBondContact OD2-NH1 3.01Å; D49-R58 VanDerWaalsContact OD2-NH1 3.16Å; D49-R58 IonicContact OD2-NH2 2.58Å; D49-R58 PolarHBondContact OD2-NH2 3.44Å; Y51-R58 HydrophobicContact CD2-CG 4.28Å; Y51-R58 HydrophobicContact CG-CG 4.28Å; R58-A60 VanDerWaalsContact C-N 3.33Å |
| 59 | S | 90.4 | Very high | 93.4 | Very high | 107 Ų | 107 | 61.3 Ų | 61.3 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.6 | 175.2 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | S57 G61 | S57-S59 PolarHBondContact O-N 3.45Å; S57-S59 PolarHBondContact OG-OG 3.34Å; S59-G61 PolarHBondContact O-N 2.9Å |
| 60 | A | 93.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | trans | -62.9 | 134.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V56 S57 R58 E64 I65 | V56-A60 HydrophobicContact CB-CB 3.9Å; V56-A60 HydrophobicContact CG2-CB 4.34Å; S57-A60 WeakPolarHBondContact O-CB 3.22Å; S57-A60 PolarHBondContact O-N 2.93Å; S57-A60 PolarHBondContact OG-N 3.5Å; R58-A60 VanDerWaalsContact C-N 3.33Å; A60-E64 WeakPolarHBondContact CA-OE2 3.47Å; A60-E64 HydrophobicContact CB-CB 4.25Å; A60-E64 HydrophobicContact CB-CG 4.17Å; A60-E64 VanDerWaalsContact CB-OE2 3.29Å; A60-E64 WeakPolarHBondContact CB-OE2 3.09Å; A60-I65 HydrophobicContact CB-CG1 3.98Å | ||
| 61 | G | 92.7 | Very high | 93.6 | Very high | 40 Ų | 40 | 72.4 Ų | 72.4 | 41% | 0.412 | 38% | 0.381 | S | S | . | . | trans | -75.5 | 162.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S59 A63 E64 I65 | S59-G61 PolarHBondContact O-N 2.9Å; G61-A63 PolarHBondContact O-N 3.4Å; G61-A63 VanDerWaalsContact O-N 3.09Å; G61-E64 WeakPolarHBondContact O-CB 3.33Å; G61-E64 PolarHBondContact O-N 2.87Å; G61-I65 PolarHBondContact O-N 3.27Å; G61-I65 VanDerWaalsContact O-N 3.1Å | ||
| 62 | K | 93 | Very high | 93.5 | Very high | 104 Ų | 104 | 71.6 Ų | 71.6 | 45% | 0.452 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -43.9 | -44.7 | 175 | -79.2 | 173.1 | 171.3 | -171.4 | 0 | 113.8 | A66 E119 | K62-A66 WeakPolarHBondContact O-CB 3.29Å; K62-A66 PolarHBondContact O-N 2.66Å; K62-E119 WeakPolarHBondContact CE-OE1 3.39Å; K62-E119 IonicContact NZ-OE1 3.77Å; K62-E119 PolarHBondContact NZ-OE1 3.48Å; K62-E119 IonicContact NZ-OE2 3.68Å; K62-E119 PolarHBondContact NZ-OE2 2.92Å |
| 63 | A | 93.8 | Very high | 93.5 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 69% | 0.686 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.2 | -37.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G61 R67 | G61-A63 PolarHBondContact O-N 3.4Å; G61-A63 VanDerWaalsContact O-N 3.09Å; A63-R67 WeakPolarHBondContact O-CB 3.16Å; A63-R67 PolarHBondContact O-N 3.14Å |
| 64 | E | 95.1 | Very high | 93.3 | Very high | 97 Ų | 97 | 71.1 Ų | 71.1 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.2 | -46.1 | 178.6 | -174.3 | 180 | 177.5 | 0 | 0 | 110.7 | V56 A60 G61 A66 R67 A68 | V56-E64 HydrophobicContact CG1-CG 4.39Å; A60-E64 WeakPolarHBondContact CA-OE2 3.47Å; A60-E64 HydrophobicContact CB-CB 4.25Å; A60-E64 HydrophobicContact CB-CG 4.17Å; A60-E64 VanDerWaalsContact CB-OE2 3.29Å; A60-E64 WeakPolarHBondContact CB-OE2 3.09Å; G61-E64 WeakPolarHBondContact O-CB 3.33Å; G61-E64 PolarHBondContact O-N 2.87Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3.16Å; E64-R67 WeakPolarHBondContact O-CB 3.42Å; E64-R67 PolarHBondContact O-N 2.97Å; E64-R67 VanDerWaalsContact O-N 3.14Å; E64-A68 WeakPolarHBondContact O-CB 3.32Å; E64-A68 PolarHBondContact O-N 3.26Å |
| 65 | I | 94.9 | Very high | 93 | Very high | 4 Ų | 4 | 78.4 Ų | 78.4 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 175.7 | -61.7 | 179.4 | 0 | 0 | 0 | 110.6 | L54 V56 A60 G61 R67 A68 Y69 Y108 L111 | L54-I65 HydrophobicContact CD1-CG2 4.05Å; V56-I65 HydrophobicContact CG2-CG1 4.36Å; A60-I65 HydrophobicContact CB-CG1 3.98Å; G61-I65 PolarHBondContact O-N 3.27Å; G61-I65 VanDerWaalsContact O-N 3.1Å; I65-R67 VanDerWaalsContact C-N 3.31Å; I65-R67 PolarHBondContact O-N 3.41Å; I65-A68 PolarHBondContact O-N 3.44Å; I65-Y69 WeakPolarHBondContact O-CB 3.37Å; I65-Y69 PolarHBondContact O-N 2.89Å; I65-Y108 HydrophobicContact CG2-CD2 3.9Å; I65-Y108 HydrophobicContact CG2-CE2 4.21Å; I65-L111 HydrophobicContact CD1-CB 4.4Å; I65-L111 HydrophobicContact CD1-CD1 4.07Å; I65-L111 HydrophobicContact CG2-CB 4.43Å; I65-L111 HydrophobicContact CG2-CD1 4.2Å |
| 66 | A | 94.5 | Very high | 92.7 | Very high | 12 Ų | 12 | 78.2 Ų | 78.2 | 10% | 0.099 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K62 E64 R70 Y108 | K62-A66 WeakPolarHBondContact O-CB 3.29Å; K62-A66 PolarHBondContact O-N 2.66Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3.16Å; A66-R70 WeakPolarHBondContact O-CG 3.42Å; A66-R70 PolarHBondContact O-N 3.02Å; A66-R70 VanDerWaalsContact O-N 3.14Å; A66-Y108 HydrophobicContact CB-CE2 4.34Å |
| 67 | R | 95.7 | Very high | 92.3 | Very high | 185 Ų | 185 | 81.1 Ų | 81.1 | 70% | 0.698 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.6 | -47.5 | 176.5 | -177.8 | -178.1 | 178.4 | -179.7 | 0.3 | 111.3 | A63 E64 I65 R70 Q71 | A63-R67 WeakPolarHBondContact O-CB 3.16Å; A63-R67 PolarHBondContact O-N 3.14Å; E64-R67 WeakPolarHBondContact O-CB 3.42Å; E64-R67 PolarHBondContact O-N 2.97Å; E64-R67 VanDerWaalsContact O-N 3.14Å; I65-R67 VanDerWaalsContact C-N 3.31Å; I65-R67 PolarHBondContact O-N 3.41Å; R67-R70 PolarHBondContact O-N 3.02Å; R67-Q71 PolarHBondContact O-N 3Å; R67-Q71 VanDerWaalsContact O-N 3.07Å |
| 68 | A | 95.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 82.5 Ų | 82.5 | 12% | 0.116 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | V56 E64 I65 R70 Q71 L72 | V56-A68 HydrophobicContact CG1-CB 3.54Å; E64-A68 WeakPolarHBondContact O-CB 3.32Å; E64-A68 PolarHBondContact O-N 3.26Å; I65-A68 PolarHBondContact O-N 3.44Å; A68-R70 PolarHBondContact O-N 3.01Å; A68-Q71 WeakPolarHBondContact O-CB 3.49Å; A68-Q71 PolarHBondContact O-N 3.37Å; A68-Q71 VanDerWaalsContact O-N 3.12Å; A68-L72 WeakPolarHBondContact O-CG 3.11Å; A68-L72 PolarHBondContact O-N 3.38Å |
| 69 | Y | 95.1 | Very high | 91.3 | Very high | 55 Ų | 55 | 81 Ų | 81 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -54.5 | -51.4 | 174.4 | 171.2 | -105.3 | 0 | 0 | 0 | 112.1 | I65 Q71 L72 A73 V104 A105 Y108 | I65-Y69 WeakPolarHBondContact O-CB 3.37Å; I65-Y69 PolarHBondContact O-N 2.89Å; Y69-Q71 PolarHBondContact O-N 3.09Å; Y69-L72 PolarHBondContact O-N 3Å; Y69-A73 HydrophobicContact CE2-CB 4.47Å; Y69-A73 WeakPolarHBondContact O-CB 3.47Å; Y69-A73 PolarHBondContact O-N 2.71Å; Y69-V104 HydrophobicContact CD2-CG1 3.78Å; Y69-V104 HydrophobicContact CE2-CG1 4.17Å; Y69-A105 HydrophobicContact CE2-CB 4.36Å; Y69-Y108 HydrophobicContact CD1-CD1 4.26Å; Y69-Y108 HydrophobicContact CD1-CD2 4.32Å; Y69-Y108 HydrophobicContact CD1-CE1 4.42Å; Y69-Y108 HydrophobicContact CD1-CG 4.2Å; Y69-Y108 HydrophobicContact CD2-CD1 4.27Å; Y69-Y108 HydrophobicContact CD2-CD2 4.32Å; Y69-Y108 AromaticContact CD2-CG 3.79Å; Y69-Y108 HydrophobicContact CD2-CG 3.79Å; Y69-Y108 HydrophobicContact CE1-CD1 4.38Å; Y69-Y108 HydrophobicContact CE2-CD1 4.4Å; Y69-Y108 HydrophobicContact CE2-CG 4.32Å; Y69-Y108 HydrophobicContact CG-CD1 4.2Å; Y69-Y108 AromaticContact CG-CD2 3.84Å; Y69-Y108 HydrophobicContact CG-CD2 3.84Å; Y69-Y108 HydrophobicContact CG-CE2 4.42Å; Y69-Y108 AromaticContact CG-CG 3.72Å; Y69-Y108 HydrophobicContact CG-CG 3.72Å |
| 70 | R | 94.4 | Very high | 90.8 | Very high | 151 Ų | 151 | 83.9 Ų | 83.9 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.2 | -32.5 | 179.4 | -68.1 | 169 | -159.9 | 176.9 | 5.4 | 112.6 | A66 R67 A68 R74 | A66-R70 WeakPolarHBondContact O-CG 3.42Å; A66-R70 PolarHBondContact O-N 3.02Å; A66-R70 VanDerWaalsContact O-N 3.14Å; R67-R70 PolarHBondContact O-N 3.02Å; A68-R70 PolarHBondContact O-N 3.01Å; R70-R74 WeakPolarHBondContact O-CG 3.33Å; R70-R74 PolarHBondContact O-N 3.01Å; R70-R74 PolarHBondContact O-NE 3.08Å; R70-R74 PolarHBondContact O-NH2 3.37Å |
| 71 | Q | 92.9 | Very high | 90 | Very high | 130 Ų | 130 | 86.8 Ų | 86.8 | 61% | 0.607 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -71.9 | -47.5 | 178.1 | -173.6 | 173 | 6.7 | 0 | 0 | 111.3 | R67 A68 Y69 R74 R75 | R67-Q71 PolarHBondContact O-N 3Å; R67-Q71 VanDerWaalsContact O-N 3.07Å; A68-Q71 WeakPolarHBondContact O-CB 3.49Å; A68-Q71 PolarHBondContact O-N 3.37Å; A68-Q71 VanDerWaalsContact O-N 3.12Å; Y69-Q71 PolarHBondContact O-N 3.09Å; Q71-R74 PolarHBondContact O-N 3.29Å; Q71-R75 PolarHBondContact O-N 3.44Å |
| 72 | L | 91.6 | Very high | 88.9 | Confident | 31 Ų | 31 | 95.6 Ų | 95.6 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.9 | -41.4 | 178.7 | -67 | 170.6 | 0 | 0 | 0 | 111.9 | L54 A68 Y69 R74 R75 Y76 V104 | L54-L72 HydrophobicContact CD2-CD1 4.02Å; A68-L72 WeakPolarHBondContact O-CG 3.11Å; A68-L72 PolarHBondContact O-N 3.38Å; Y69-L72 PolarHBondContact O-N 3Å; L72-R74 VanDerWaalsContact C-N 3.27Å; L72-R74 PolarHBondContact O-N 3.28Å; L72-R75 WeakPolarHBondContact O-CB 3.49Å; L72-R75 PolarHBondContact O-N 3.47Å; L72-Y76 HydrophobicContact CB-CD2 4.4Å; L72-Y76 HydrophobicContact CD2-CE2 4.01Å; L72-Y76 WeakPolarHBondContact O-CD2 3.49Å; L72-Y76 PolarHBondContact O-N 3.26Å; L72-V104 HydrophobicContact CB-CG1 3.81Å; L72-V104 HydrophobicContact CB-CG2 4.19Å; L72-V104 HydrophobicContact CD1-CG1 4.3Å; L72-V104 HydrophobicContact CD1-CG2 4.19Å |
| 73 | A | 91 | Very high | 87.6 | Confident | 14 Ų | 14 | 94.4 Ų | 94.4 | 12% | 0.116 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -55.8 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y69 R75 H77 F101 | Y69-A73 HydrophobicContact CE2-CB 4.47Å; Y69-A73 WeakPolarHBondContact O-CB 3.47Å; Y69-A73 PolarHBondContact O-N 2.71Å; A73-R75 VanDerWaalsContact C-N 3.32Å; A73-R75 PolarHBondContact O-N 2.97Å; A73-H77 WeakPolarHBondContact O-CB 3.34Å; A73-H77 PolarHBondContact O-N 2.91Å; A73-H77 VanDerWaalsContact O-N 3.09Å; A73-F101 HydrophobicContact CB-CD2 4.45Å; A73-F101 HydrophobicContact CB-CE2 3.82Å |
| 74 | R | 89.4 | Confident | 86 | Confident | 141 Ų | 141 | 97 Ų | 97 | 53% | 0.532 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70.5 | -27.1 | 176.6 | -77.2 | 178.7 | -76.9 | -145.5 | 2.9 | 113.4 | R70 Q71 L72 | R70-R74 WeakPolarHBondContact O-CG 3.33Å; R70-R74 PolarHBondContact O-N 3.01Å; R70-R74 PolarHBondContact O-NE 3.08Å; R70-R74 PolarHBondContact O-NH2 3.37Å; Q71-R74 PolarHBondContact O-N 3.29Å; L72-R74 VanDerWaalsContact C-N 3.27Å; L72-R74 PolarHBondContact O-N 3.28Å |
| 75 | R | 85.9 | Confident | 83.8 | Confident | 161 Ų | 161 | 99.1 Ų | 99.1 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -79.9 | -40.1 | -179.8 | -173.1 | 174.8 | -177.5 | 175 | -0.5 | 112.1 | Q71 L72 A73 | Q71-R75 PolarHBondContact O-N 3.44Å; L72-R75 WeakPolarHBondContact O-CB 3.49Å; L72-R75 PolarHBondContact O-N 3.47Å; A73-R75 VanDerWaalsContact C-N 3.32Å; A73-R75 PolarHBondContact O-N 2.97Å |
| 76 | Y | 87.6 | Confident | 81.8 | Confident | 64 Ų | 64 | 102.1 Ų | 102.1 | 25% | 0.251 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -98.8 | 6.8 | -177.5 | -62 | -61.8 | 0 | 0 | 0 | 114 | L72 A100 V104 | L72-Y76 HydrophobicContact CB-CD2 4.4Å; L72-Y76 HydrophobicContact CD2-CE2 4.01Å; L72-Y76 WeakPolarHBondContact O-CD2 3.49Å; L72-Y76 PolarHBondContact O-N 3.26Å; Y76-A100 HydrophobicContact CD1-CB 3.9Å; Y76-A100 HydrophobicContact CD2-CB 4.39Å; Y76-A100 HydrophobicContact CE1-CB 4.16Å; Y76-A100 HydrophobicContact CG-CB 4.03Å; Y76-V104 HydrophobicContact CD2-CG2 4.4Å |
| 77 | H | 85.6 | Confident | 79.8 | Confident | 77 Ų | 77 | 107 Ų | 107 | 36% | 0.356 | 51% | 0.508 | S | S | . | . | trans | -62.2 | 129.7 | 176.9 | -165.3 | -85.3 | 0 | 0 | 0 | 110.6 | A73 D79 R80 Y81 | A73-H77 WeakPolarHBondContact O-CB 3.34Å; A73-H77 PolarHBondContact O-N 2.91Å; A73-H77 VanDerWaalsContact O-N 3.09Å; H77-D79 VanDerWaalsContact C-N 3.25Å; H77-D79 VanDerWaalsContact ND1-CB 3.29Å; H77-D79 WeakPolarHBondContact ND1-CB 3.48Å; H77-D79 PolarHBondContact ND1-N 3.14Å; H77-D79 PolarHBondContact O-N 3.14Å; H77-R80 HydrophobicContact CB-CB 4.32Å; H77-R80 PolarHBondContact O-N 3.12Å; H77-Y81 WeakPolarHBondContact O-CB 3.44Å; H77-Y81 PolarHBondContact O-N 3.01Å | ||
| 78 | P | 82.3 | Confident | 77.8 | Confident | 84 Ų | 84 | 106.5 Ų | 106.5 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -35 | -173.8 | 22.4 | -33.9 | 0 | 0 | 0 | 113 | R80 | P78-R80 VanDerWaalsContact C-N 3.34Å; P78-R80 PolarHBondContact O-N 2.98Å |
| 79 | D | 83.6 | Confident | 75.9 | Confident | 142 Ų | 142 | 107.6 Ų | 107.6 | 76% | 0.759 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -25.2 | 177.3 | -170.2 | 45.1 | 0 | 0 | 0 | 114 | H77 | H77-D79 VanDerWaalsContact C-N 3.25Å; H77-D79 VanDerWaalsContact ND1-CB 3.29Å; H77-D79 WeakPolarHBondContact ND1-CB 3.48Å; H77-D79 PolarHBondContact ND1-N 3.14Å; H77-D79 PolarHBondContact O-N 3.14Å |
| 80 | R | 78.8 | Confident | 73.8 | Confident | 166 Ų | 166 | 111 Ų | 111 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -8 | -175.2 | -63.5 | -175.7 | 64.5 | 175.5 | 1.1 | 113.3 | H77 P78 R82 | H77-R80 HydrophobicContact CB-CB 4.32Å; H77-R80 PolarHBondContact O-N 3.12Å; P78-R80 VanDerWaalsContact C-N 3.34Å; P78-R80 PolarHBondContact O-N 2.98Å; R80-R82 PolarHBondContact O-N 3.33Å |
| 81 | Y | 76.6 | Confident | 71.8 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 27% | 0.267 | 54% | 0.543 | S | S | . | . | trans | -67.1 | 119.4 | -175.1 | -174.3 | -109 | 0 | 0 | 0 | 110.2 | H77 P83 G91 A97 | H77-Y81 WeakPolarHBondContact O-CB 3.44Å; H77-Y81 PolarHBondContact O-N 3.01Å; Y81-P83 HydrophobicContact CE1-CB 4.21Å; Y81-G91 PolarHBondContact OH-O 3.29Å; Y81-A97 HydrophobicContact CD1-CB 3.67Å; Y81-A97 HydrophobicContact CD2-CB 3.72Å; Y81-A97 HydrophobicContact CE1-CB 3.9Å; Y81-A97 HydrophobicContact CE2-CB 3.97Å; Y81-A97 HydrophobicContact CG-CB 3.56Å | ||
| 82 | R | 70.8 | Confident | 70.1 | Confident | 224 Ų | 224 | 106.3 Ų | 106.3 | 85% | 0.845 | 54% | 0.541 | S | S | * | . | trans | -117.7 | 106 | 176.1 | -137.2 | 178.8 | -165.8 | 166.5 | 4.1 | 107.7 | R80 Q84 | R80-R82 PolarHBondContact O-N 3.33Å; R82-Q84 PolarHBondContact O-N 3.36Å | ||
| 83 | P | 64.9 | Low | 68.7 | Low | 80 Ų | 80 | 107.8 Ų | 107.8 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | trans | -62 | 129.5 | 178.4 | 22 | -29.2 | 0 | 0 | 0 | 109.4 | Y81 | Y81-P83 HydrophobicContact CE1-CB 4.21Š| ||
| 84 | Q | 60.4 | Low | 67.2 | Low | 138 Ų | 138 | 111.9 Ų | 111.9 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | trans | -82.4 | 139 | 176.1 | -66.9 | -173.5 | 25.1 | 0 | 0 | 110 | R82 G86 | R82-Q84 PolarHBondContact O-N 3.36Å; Q84-G86 PolarHBondContact O-N 3.34Å | ||
| 85 | P | 47.9 | Very low | 66.1 | Low | 140 Ų | 140 | 111.3 Ų | 111.3 | 91% | 0.909 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 105.3 | 176.2 | 29.4 | -29.5 | 0 | 0 | 0 | 109.3 | ||
| 86 | G | 54.5 | Low | 65.7 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.6 | -16.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q84 | Q84-G86 PolarHBondContact O-N 3.34Š|
| 87 | D | 52.2 | Low | 65.3 | Low | 115 Ų | 115 | 101.7 Ų | 101.7 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | trans | -88.4 | 112.9 | 176.6 | -73.3 | -43.4 | 0 | 0 | 0 | 110.6 | ||||
| 88 | E | 53 | Low | 65.3 | Low | 173 Ų | 173 | 103.1 Ų | 103.1 | 81% | 0.808 | 55% | 0.554 | S | S | * | * | trans | -93.5 | 16.2 | 178.8 | -53.9 | -149.1 | 127.9 | 0 | 0 | 114 | R92 | E88-R92 IonicContact OE1-NH2 3.16Š| ||
| 89 | G | 56 | Low | 65.5 | Low | 38 Ų | 38 | 105 Ų | 105 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -84.4 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G91 R92 | G89-G91 PolarHBondContact O-N 2.96Å; G89-R92 PolarHBondContact O-N 3.45Å |
| 90 | P | 50.2 | Low | 65.6 | Low | 127 Ų | 127 | 99.6 Ų | 99.6 | 83% | 0.825 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -58.6 | -3.8 | 178.5 | 21.2 | -31.1 | 0 | 0 | 0 | 115.4 | R92 S96 | P90-R92 VanDerWaalsContact C-N 3.26Å; P90-R92 PolarHBondContact O-N 3.25Å; P90-S96 WeakPolarHBondContact O-CB 3.29Å; P90-S96 PolarHBondContact O-OG 3.31Å; P90-S96 VanDerWaalsContact O-OG 3.07Å |
| 91 | G | 52.9 | Low | 66.2 | Low | 30 Ų | 30 | 94.1 Ų | 94.1 | 31% | 0.309 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -70.2 | 0.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y81 G89 T93 S96 | Y81-G91 PolarHBondContact OH-O 3.29Å; G89-G91 PolarHBondContact O-N 2.96Å; G91-T93 PolarHBondContact O-N 3.07Å; G91-S96 VanDerWaalsContact CA-OG 3.27Å; G91-S96 WeakPolarHBondContact CA-OG 3.31Å |
| 92 | R | 57.6 | Low | 66.9 | Low | 151 Ų | 151 | 95.5 Ų | 95.5 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -75.6 | -22.6 | -164.2 | -170.2 | -179.6 | -86.3 | -179.4 | -7.7 | 114.3 | E88 G89 P90 | E88-R92 IonicContact OE1-NH2 3.16Å; G89-R92 PolarHBondContact O-N 3.45Å; P90-R92 VanDerWaalsContact C-N 3.26Å; P90-R92 PolarHBondContact O-N 3.25Å |
| 93 | T | 60.7 | Low | 67.9 | Low | 63 Ų | 63 | 87.3 Ų | 87.3 | 39% | 0.387 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -96.9 | 153.1 | -176.2 | 56 | 0 | 0 | 0 | 0 | 111.8 | G91 Q95 S96 A97 | G91-T93 PolarHBondContact O-N 3.07Å; T93-Q95 PolarHBondContact O-N 3.12Å; T93-Q95 VanDerWaalsContact O-N 3.15Å; T93-S96 PolarHBondContact O-N 3.23Å; T93-S96 PolarHBondContact OG1-N 3.44Å; T93-A97 PolarHBondContact O-N 3.41Å |
| 94 | P | 60.7 | Low | 69.2 | Low | 100 Ų | 100 | 83.8 Ų | 83.8 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -55.5 | -29.9 | 170.9 | 22.8 | -33.2 | 0 | 0 | 0 | 112.1 | S96 A97 E98 | P94-S96 VanDerWaalsContact C-N 3.34Å; P94-S96 PolarHBondContact O-N 3.47Å; P94-A97 PolarHBondContact O-N 2.96Å; P94-E98 PolarHBondContact O-N 3.27Å; P94-E98 VanDerWaalsContact O-N 3.08Å |
| 95 | Q | 65.1 | Low | 70.8 | Confident | 128 Ų | 128 | 78.3 Ų | 78.3 | 60% | 0.598 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.1 | -41.1 | 173.6 | -66.8 | 170.7 | -21.6 | 0 | 0 | 112.1 | T93 A97 E98 E99 | T93-Q95 PolarHBondContact O-N 3.12Å; T93-Q95 VanDerWaalsContact O-N 3.15Å; Q95-A97 PolarHBondContact O-N 3.3Å; Q95-E98 WeakPolarHBondContact O-CB 3.47Å; Q95-E98 PolarHBondContact O-N 2.97Å; Q95-E99 VanDerWaalsContact O-CG 3.32Å; Q95-E99 WeakPolarHBondContact O-CG 3.42Å; Q95-E99 PolarHBondContact O-N 3.39Å |
| 96 | S | 78.4 | Confident | 73 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -72.8 | -29.2 | 178.5 | -168.4 | 0 | 0 | 0 | 0 | 113.4 | P90 G91 T93 P94 A100 | P90-S96 WeakPolarHBondContact O-CB 3.29Å; P90-S96 PolarHBondContact O-OG 3.31Å; P90-S96 VanDerWaalsContact O-OG 3.07Å; G91-S96 VanDerWaalsContact CA-OG 3.27Å; G91-S96 WeakPolarHBondContact CA-OG 3.31Å; T93-S96 PolarHBondContact O-N 3.23Å; T93-S96 PolarHBondContact OG1-N 3.44Å; P94-S96 VanDerWaalsContact C-N 3.34Å; P94-S96 PolarHBondContact O-N 3.47Å; S96-A100 VanDerWaalsContact O-CB 3.31Å; S96-A100 WeakPolarHBondContact O-CB 3.27Å; S96-A100 PolarHBondContact O-N 3.07Å |
| 97 | A | 79.6 | Confident | 74.9 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 2% | 0.017 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y81 T93 P94 Q95 A100 F101 | Y81-A97 HydrophobicContact CD1-CB 3.67Å; Y81-A97 HydrophobicContact CD2-CB 3.72Å; Y81-A97 HydrophobicContact CE1-CB 3.9Å; Y81-A97 HydrophobicContact CE2-CB 3.97Å; Y81-A97 HydrophobicContact CG-CB 3.56Å; T93-A97 PolarHBondContact O-N 3.41Å; P94-A97 PolarHBondContact O-N 2.96Å; Q95-A97 PolarHBondContact O-N 3.3Å; A97-A100 PolarHBondContact O-N 3.14Å; A97-F101 WeakPolarHBondContact O-CB 3.4Å; A97-F101 PolarHBondContact O-N 3.42Å |
| 98 | E | 84.5 | Confident | 77 | Confident | 108 Ų | 108 | 68 Ų | 68 | 51% | 0.505 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 173.5 | -177 | 177.2 | -175.6 | 0 | 0 | 111.6 | P94 Q95 A100 F101 L102 | P94-E98 PolarHBondContact O-N 3.27Å; P94-E98 VanDerWaalsContact O-N 3.08Å; Q95-E98 WeakPolarHBondContact O-CB 3.47Å; Q95-E98 PolarHBondContact O-N 2.97Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 2.97Å; E98-F101 WeakPolarHBondContact O-CB 3.49Å; E98-F101 PolarHBondContact O-N 3.46Å; E98-F101 VanDerWaalsContact O-N 3.12Å; E98-L102 HydrophobicContact CG-CD1 4.3Å; E98-L102 WeakPolarHBondContact O-CG 3.4Å; E98-L102 PolarHBondContact O-N 3.11Å |
| 99 | E | 86.3 | Confident | 78.9 | Confident | 123 Ų | 123 | 64.1 Ų | 64.1 | 58% | 0.575 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.3 | -44.5 | 175.2 | -73.2 | 169.8 | -171.3 | 0 | 0 | 112 | Q95 F101 L102 L103 | Q95-E99 VanDerWaalsContact O-CG 3.32Å; Q95-E99 WeakPolarHBondContact O-CG 3.42Å; Q95-E99 PolarHBondContact O-N 3.39Å; E99-F101 VanDerWaalsContact C-N 3.33Å; E99-F101 PolarHBondContact O-N 3.34Å; E99-L102 PolarHBondContact O-N 2.87Å; E99-L103 VanDerWaalsContact O-CB 3.3Å; E99-L103 WeakPolarHBondContact O-CB 3.07Å; E99-L103 PolarHBondContact O-N 3.44Å |
| 100 | A | 87.1 | Confident | 80.7 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y76 S96 A97 E98 L103 V104 | Y76-A100 HydrophobicContact CD1-CB 3.9Å; Y76-A100 HydrophobicContact CD2-CB 4.39Å; Y76-A100 HydrophobicContact CE1-CB 4.16Å; Y76-A100 HydrophobicContact CG-CB 4.03Å; S96-A100 VanDerWaalsContact O-CB 3.31Å; S96-A100 WeakPolarHBondContact O-CB 3.27Å; S96-A100 PolarHBondContact O-N 3.07Å; A97-A100 PolarHBondContact O-N 3.14Å; E98-A100 VanDerWaalsContact C-N 3.32Å; E98-A100 PolarHBondContact O-N 2.97Å; A100-L103 PolarHBondContact O-N 3.36Å; A100-V104 WeakPolarHBondContact O-CB 3.21Å; A100-V104 VanDerWaalsContact O-CG2 3.27Å; A100-V104 WeakPolarHBondContact O-CG2 3.5Å; A100-V104 PolarHBondContact O-N 2.76Å |
| 101 | F | 90.9 | Very high | 82.8 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 23% | 0.228 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 175.8 | 179.2 | -96.5 | 0 | 0 | 0 | 111.8 | A73 A97 E98 E99 L103 V104 A105 | A73-F101 HydrophobicContact CB-CD2 4.45Å; A73-F101 HydrophobicContact CB-CE2 3.82Å; A97-F101 WeakPolarHBondContact O-CB 3.4Å; A97-F101 PolarHBondContact O-N 3.42Å; E98-F101 WeakPolarHBondContact O-CB 3.49Å; E98-F101 PolarHBondContact O-N 3.46Å; E98-F101 VanDerWaalsContact O-N 3.12Å; E99-F101 VanDerWaalsContact C-N 3.33Å; E99-F101 PolarHBondContact O-N 3.34Å; F101-L103 VanDerWaalsContact C-N 3.32Å; F101-L103 PolarHBondContact O-N 3Å; F101-V104 PolarHBondContact O-N 3.24Å; F101-A105 WeakPolarHBondContact O-CB 3.46Å; F101-A105 PolarHBondContact O-N 3.45Å |
| 102 | L | 90.9 | Very high | 84.7 | Confident | 96 Ų | 96 | 61.7 Ų | 61.7 | 50% | 0.503 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.6 | -45.7 | 176 | -70.6 | 172.9 | 0 | 0 | 0 | 110.8 | E98 E99 V104 A105 T106 | E98-L102 HydrophobicContact CG-CD1 4.3Å; E98-L102 WeakPolarHBondContact O-CG 3.4Å; E98-L102 PolarHBondContact O-N 3.11Å; E99-L102 PolarHBondContact O-N 2.87Å; L102-V104 PolarHBondContact O-N 3.35Å; L102-A105 WeakPolarHBondContact O-CB 3.43Å; L102-A105 PolarHBondContact O-N 2.98Å; L102-A105 VanDerWaalsContact O-N 3.14Å; L102-T106 WeakPolarHBondContact O-CG2 3.36Å; L102-T106 PolarHBondContact O-N 3.47Å; L102-T106 PolarHBondContact O-OG1 3.04Å |
| 103 | L | 91.4 | Very high | 86.5 | Confident | 52 Ų | 52 | 59.1 Ų | 59.1 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 179.9 | -163.9 | 165.8 | 0 | 0 | 0 | 112 | V53 E99 A100 F101 A105 T106 A107 | V53-L103 HydrophobicContact CB-CD2 3.91Å; V53-L103 HydrophobicContact CG1-CD2 3.24Å; V53-L103 HydrophobicContact CG2-CD2 3.34Å; E99-L103 VanDerWaalsContact O-CB 3.3Å; E99-L103 WeakPolarHBondContact O-CB 3.07Å; E99-L103 PolarHBondContact O-N 3.44Å; A100-L103 PolarHBondContact O-N 3.36Å; F101-L103 VanDerWaalsContact C-N 3.32Å; F101-L103 PolarHBondContact O-N 3Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-T106 WeakPolarHBondContact CA-OG1 3.5Å; L103-T106 PolarHBondContact O-OG1 3.4Å; L103-A107 WeakPolarHBondContact O-CB 3.45Å; L103-A107 PolarHBondContact O-N 3.49Å |
| 104 | V | 93.4 | Very high | 88 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.036 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 171.9 | 165.1 | 0 | 0 | 0 | 0 | 111.6 | V53 L54 Y69 L72 Y76 A100 F101 L102 Y108 | V53-V104 HydrophobicContact CG1-CG2 4.14Å; L54-V104 HydrophobicContact CD2-CG1 3.93Å; Y69-V104 HydrophobicContact CD2-CG1 3.78Å; Y69-V104 HydrophobicContact CE2-CG1 4.17Å; L72-V104 HydrophobicContact CB-CG1 3.81Å; L72-V104 HydrophobicContact CB-CG2 4.19Å; L72-V104 HydrophobicContact CD1-CG1 4.3Å; L72-V104 HydrophobicContact CD1-CG2 4.19Å; Y76-V104 HydrophobicContact CD2-CG2 4.4Å; A100-V104 WeakPolarHBondContact O-CB 3.21Å; A100-V104 VanDerWaalsContact O-CG2 3.27Å; A100-V104 WeakPolarHBondContact O-CG2 3.5Å; A100-V104 PolarHBondContact O-N 2.76Å; F101-V104 PolarHBondContact O-N 3.24Å; L102-V104 PolarHBondContact O-N 3.35Å; V104-Y108 PolarHBondContact O-N 3.04Å |
| 105 | A | 93.8 | Very high | 89.5 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.6 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y69 F101 L102 L103 A107 Y108 E109 | Y69-A105 HydrophobicContact CE2-CB 4.36Å; F101-A105 WeakPolarHBondContact O-CB 3.46Å; F101-A105 PolarHBondContact O-N 3.45Å; L102-A105 WeakPolarHBondContact O-CB 3.43Å; L102-A105 PolarHBondContact O-N 2.98Å; L102-A105 VanDerWaalsContact O-N 3.14Å; L103-A105 VanDerWaalsContact C-N 3.33Å; A105-A107 VanDerWaalsContact C-N 3.33Å; A105-A107 PolarHBondContact O-N 2.05Å; A105-Y108 PolarHBondContact O-N 2.88Å; A105-E109 PolarHBondContact O-N 3.49Å |
| 106 | T | 93.9 | Very high | 90.8 | Very high | 60 Ų | 60 | 52 Ų | 52 | 37% | 0.368 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 175.3 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | L102 L103 Y108 E109 T110 | L102-T106 WeakPolarHBondContact O-CG2 3.36Å; L102-T106 PolarHBondContact O-N 3.47Å; L102-T106 PolarHBondContact O-OG1 3.04Å; L103-T106 WeakPolarHBondContact CA-OG1 3.5Å; L103-T106 PolarHBondContact O-OG1 3.4Å; T106-Y108 VanDerWaalsContact C-N 3.35Å; T106-Y108 PolarHBondContact O-N 3.42Å; T106-E109 PolarHBondContact O-N 3.34Å; T106-T110 WeakPolarHBondContact O-CB 3.33Å; T106-T110 WeakPolarHBondContact O-CG2 3.35Å; T106-T110 PolarHBondContact O-N 3.2Å; T106-T110 PolarHBondContact O-OG1 2.99Å |
| 107 | A | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59 | -44 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C45 C50 V53 L54 L103 A105 T110 L111 | C45-A107 VanDerWaalsContact SG-CA 3.5Å; C45-A107 VanDerWaalsContact SG-CB 3.57Å; C50-A107 HydrophobicContact CB-CB 3.9Å; V53-A107 HydrophobicContact CB-CB 4.16Å; V53-A107 HydrophobicContact CG1-CB 3.76Å; L54-A107 HydrophobicContact CD1-CB 4.11Å; L54-A107 HydrophobicContact CD2-CB 4.42Å; L54-A107 HydrophobicContact CG-CB 3.92Å; L103-A107 WeakPolarHBondContact O-CB 3.45Å; L103-A107 PolarHBondContact O-N 3.49Å; A105-A107 VanDerWaalsContact C-N 3.33Å; A105-A107 PolarHBondContact O-N 2.05Å; A107-T110 WeakPolarHBondContact CA-OG1 3.4Å; A107-T110 PolarHBondContact O-OG1 3.04Å; A107-L111 VanDerWaalsContact O-CG 3.29Å; A107-L111 WeakPolarHBondContact O-CG 3.41Å; A107-L111 PolarHBondContact O-N 3.44Å; A107-L111 VanDerWaalsContact O-N 3.11Å |
| 108 | Y | 95.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 179.1 | 175.2 | -105.8 | 0 | 0 | 0 | 112.9 | I65 A66 Y69 V104 A105 T106 T110 L111 K112 | I65-Y108 HydrophobicContact CG2-CD2 3.9Å; I65-Y108 HydrophobicContact CG2-CE2 4.21Å; A66-Y108 HydrophobicContact CB-CE2 4.34Å; Y69-Y108 HydrophobicContact CD1-CD1 4.26Å; Y69-Y108 HydrophobicContact CD1-CD2 4.32Å; Y69-Y108 HydrophobicContact CD1-CE1 4.42Å; Y69-Y108 HydrophobicContact CD1-CG 4.2Å; Y69-Y108 HydrophobicContact CD2-CD1 4.27Å; Y69-Y108 HydrophobicContact CD2-CD2 4.32Å; Y69-Y108 AromaticContact CD2-CG 3.79Å; Y69-Y108 HydrophobicContact CD2-CG 3.79Å; Y69-Y108 HydrophobicContact CE1-CD1 4.38Å; Y69-Y108 HydrophobicContact CE2-CD1 4.4Å; Y69-Y108 HydrophobicContact CE2-CG 4.32Å; Y69-Y108 HydrophobicContact CG-CD1 4.2Å; Y69-Y108 AromaticContact CG-CD2 3.84Å; Y69-Y108 HydrophobicContact CG-CD2 3.84Å; Y69-Y108 HydrophobicContact CG-CE2 4.42Å; Y69-Y108 AromaticContact CG-CG 3.72Å; Y69-Y108 HydrophobicContact CG-CG 3.72Å; V104-Y108 PolarHBondContact O-N 3.04Å; A105-Y108 PolarHBondContact O-N 2.88Å; T106-Y108 VanDerWaalsContact C-N 3.35Å; T106-Y108 PolarHBondContact O-N 3.42Å; Y108-T110 VanDerWaalsContact C-N 3.35Å; Y108-T110 PolarHBondContact O-N 2.93Å; Y108-L111 PolarHBondContact O-N 3.45Å; Y108-K112 HydrophobicContact CE1-CD 4.23Å; Y108-K112 WeakPolarHBondContact O-CB 3.35Å; Y108-K112 PolarHBondContact O-N 3.4Å |
| 109 | E | 94.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | -178.4 | -68.9 | -57.5 | 150.6 | 0 | 0 | 112 | A105 T106 K112 V113 | A105-E109 PolarHBondContact O-N 3.49Å; T106-E109 PolarHBondContact O-N 3.34Å; E109-K112 PolarHBondContact O-N 3.29Å; E109-K112 IonicContact OE2-NZ 3.2Å; E109-V113 WeakPolarHBondContact O-CG2 3.22Å; E109-V113 PolarHBondContact O-N 2.91Å |
| 110 | T | 93.7 | Very high | 93 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 176.4 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | Y44 T106 A107 Y108 K112 V113 S114 | Y44-T110 HydrophobicContact CD1-CG2 3.26Å; Y44-T110 HydrophobicContact CE1-CG2 3.92Å; Y44-T110 HydrophobicContact CG-CG2 4.07Å; T106-T110 WeakPolarHBondContact O-CB 3.33Å; T106-T110 WeakPolarHBondContact O-CG2 3.35Å; T106-T110 PolarHBondContact O-N 3.2Å; T106-T110 PolarHBondContact O-OG1 2.99Å; A107-T110 WeakPolarHBondContact CA-OG1 3.4Å; A107-T110 PolarHBondContact O-OG1 3.04Å; Y108-T110 VanDerWaalsContact C-N 3.35Å; Y108-T110 PolarHBondContact O-N 2.93Å; T110-K112 VanDerWaalsContact C-N 3.32Å; T110-K112 PolarHBondContact O-N 3.48Å; T110-V113 PolarHBondContact O-N 3.26Å; T110-S114 PolarHBondContact O-N 3.41Å |
| 111 | L | 93.4 | Very high | 93.4 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.9 | -68.4 | -168.5 | 0 | 0 | 0 | 111.9 | C50 Y51 L54 I65 A107 Y108 S114 Q115 | C50-L111 HydrophobicContact CB-CD2 4.2Å; C50-L111 HydrophobicContact CB-CG 4.3Å; Y51-L111 HydrophobicContact CD1-CD1 3.81Å; Y51-L111 HydrophobicContact CD1-CD2 4.17Å; Y51-L111 HydrophobicContact CD2-CD2 3.89Å; Y51-L111 HydrophobicContact CE1-CD1 3.84Å; Y51-L111 HydrophobicContact CE1-CD2 3.73Å; Y51-L111 HydrophobicContact CE1-CG 4.43Å; Y51-L111 HydrophobicContact CE2-CD2 3.41Å; Y51-L111 VanDerWaalsContact CE2-CD2 3.41Å; Y51-L111 HydrophobicContact CG-CD1 4.26Å; Y51-L111 HydrophobicContact CG-CD2 4.24Å; L54-L111 HydrophobicContact CD1-CD1 3.59Å; L54-L111 HydrophobicContact CD1-CG 4.45Å; I65-L111 HydrophobicContact CD1-CB 4.4Å; I65-L111 HydrophobicContact CD1-CD1 4.07Å; I65-L111 HydrophobicContact CG2-CB 4.43Å; I65-L111 HydrophobicContact CG2-CD1 4.2Å; A107-L111 VanDerWaalsContact O-CG 3.29Å; A107-L111 WeakPolarHBondContact O-CG 3.41Å; A107-L111 PolarHBondContact O-N 3.44Å; A107-L111 VanDerWaalsContact O-N 3.11Å; Y108-L111 PolarHBondContact O-N 3.45Å; L111-S114 WeakPolarHBondContact CA-OG 3.1Å; L111-S114 PolarHBondContact O-N 2.83Å; L111-S114 PolarHBondContact O-OG 2.8Å; L111-Q115 WeakPolarHBondContact O-CG 3.09Å; L111-Q115 PolarHBondContact O-N 2.98Å |
| 112 | K | 93.6 | Very high | 93.6 | Very high | 104 Ų | 104 | 62.2 Ų | 62.2 | 45% | 0.452 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 176.9 | -176.4 | -177.7 | 170.3 | -161.9 | 0 | 112.4 | Y108 E109 T110 Q115 A116 | Y108-K112 HydrophobicContact CE1-CD 4.23Å; Y108-K112 WeakPolarHBondContact O-CB 3.35Å; Y108-K112 PolarHBondContact O-N 3.4Å; E109-K112 PolarHBondContact O-N 3.29Å; E109-K112 IonicContact OE2-NZ 3.2Å; T110-K112 VanDerWaalsContact C-N 3.32Å; T110-K112 PolarHBondContact O-N 3.48Å; K112-Q115 PolarHBondContact O-N 2.94Å; K112-A116 PolarHBondContact O-N 3.45Å; K112-A116 VanDerWaalsContact O-N 3.08Å |
| 113 | V | 94 | Very high | 93.8 | Very high | 98 Ų | 98 | 64.7 Ų | 64.7 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | E109 T110 Q115 A116 A117 | E109-V113 WeakPolarHBondContact O-CG2 3.22Å; E109-V113 PolarHBondContact O-N 2.91Å; T110-V113 PolarHBondContact O-N 3.26Å; V113-Q115 VanDerWaalsContact C-N 3.31Å; V113-Q115 PolarHBondContact O-N 3.05Å; V113-A116 PolarHBondContact O-N 2.95Å; V113-A117 WeakPolarHBondContact O-CB 3.29Å; V113-A117 PolarHBondContact O-N 3.3Å |
| 114 | S | 92.4 | Very high | 93.9 | Very high | 52 Ų | 52 | 65.4 Ų | 65.4 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 178.4 | 76.5 | 0 | 0 | 0 | 0 | 112.7 | T110 L111 A117 A118 | T110-S114 PolarHBondContact O-N 3.41Å; L111-S114 WeakPolarHBondContact CA-OG 3.1Å; L111-S114 PolarHBondContact O-N 2.83Å; L111-S114 PolarHBondContact O-OG 2.8Å; S114-A117 PolarHBondContact O-N 3.38Å; S114-A118 PolarHBondContact O-N 3.49Å |
| 115 | Q | 91.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 17% | 0.173 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 176.8 | -73.8 | -178.5 | -16.6 | 0 | 0 | 112.3 | L111 K112 V113 A117 A118 E119 | L111-Q115 WeakPolarHBondContact O-CG 3.09Å; L111-Q115 PolarHBondContact O-N 2.98Å; K112-Q115 PolarHBondContact O-N 2.94Å; V113-Q115 VanDerWaalsContact C-N 3.31Å; V113-Q115 PolarHBondContact O-N 3.05Å; Q115-A117 VanDerWaalsContact C-N 3.3Å; Q115-A117 PolarHBondContact O-N 2.9Å; Q115-A118 PolarHBondContact O-N 3.46Å; Q115-E119 WeakPolarHBondContact O-CG 3.45Å; Q115-E119 PolarHBondContact O-N 3.31Å |
| 116 | A | 93.4 | Very high | 93.8 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 43% | 0.43 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K112 V113 E119 L120 | K112-A116 PolarHBondContact O-N 3.45Å; K112-A116 VanDerWaalsContact O-N 3.08Å; V113-A116 PolarHBondContact O-N 2.95Å; A116-E119 PolarHBondContact O-N 2.94Å; A116-L120 WeakPolarHBondContact O-CB 3.14Å; A116-L120 PolarHBondContact O-N 3.44Å |
| 117 | A | 94.3 | Very high | 93.7 | Very high | 53 Ų | 53 | 74.2 Ų | 74.2 | 44% | 0.438 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V113 S114 Q115 E119 L120 Q121 | V113-A117 WeakPolarHBondContact O-CB 3.29Å; V113-A117 PolarHBondContact O-N 3.3Å; S114-A117 PolarHBondContact O-N 3.38Å; Q115-A117 VanDerWaalsContact C-N 3.3Å; Q115-A117 PolarHBondContact O-N 2.9Å; A117-E119 PolarHBondContact O-N 3Å; A117-L120 PolarHBondContact O-N 2.85Å; A117-Q121 WeakPolarHBondContact O-CB 3.35Å; A117-Q121 PolarHBondContact O-N 3.26Å |
| 118 | A | 93 | Very high | 93.5 | Very high | 57 Ų | 57 | 76 Ų | 76 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S114 Q115 Q121 Q122 | S114-A118 PolarHBondContact O-N 3.49Å; Q115-A118 PolarHBondContact O-N 3.46Å; A118-Q121 PolarHBondContact O-N 3.38Å; A118-Q122 WeakPolarHBondContact O-CB 3.44Å; A118-Q122 PolarHBondContact O-N 2.92Å |
| 119 | E | 93.7 | Very high | 93 | Very high | 100 Ų | 100 | 78 Ų | 78 | 47% | 0.467 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 175.8 | -73.4 | 178.2 | 163.4 | 0 | 0 | 112.2 | K62 Q115 A116 A117 Q122 Y123 | K62-E119 WeakPolarHBondContact CE-OE1 3.39Å; K62-E119 IonicContact NZ-OE1 3.77Å; K62-E119 PolarHBondContact NZ-OE1 3.48Å; K62-E119 IonicContact NZ-OE2 3.68Å; K62-E119 PolarHBondContact NZ-OE2 2.92Å; Q115-E119 WeakPolarHBondContact O-CG 3.45Å; Q115-E119 PolarHBondContact O-N 3.31Å; A116-E119 PolarHBondContact O-N 2.94Å; A117-E119 PolarHBondContact O-N 3Å; E119-Q122 PolarHBondContact O-N 3.09Å; E119-Y123 WeakPolarHBondContact O-CB 3.39Å; E119-Y123 PolarHBondContact O-N 3.19Å |
| 120 | L | 94.8 | Very high | 92.5 | Very high | 109 Ų | 109 | 81.1 Ų | 81.1 | 57% | 0.571 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 176.5 | 179.7 | 61.2 | 0 | 0 | 0 | 111.1 | A116 A117 Q122 Y123 C124 | A116-L120 WeakPolarHBondContact O-CB 3.14Å; A116-L120 PolarHBondContact O-N 3.44Å; A117-L120 PolarHBondContact O-N 2.85Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 3.24Å; L120-Y123 WeakPolarHBondContact O-CB 3.44Å; L120-Y123 PolarHBondContact O-N 2.93Å; L120-C124 WeakPolarHBondContact O-CB 3.27Å; L120-C124 PolarHBondContact O-N 2.75Å; L120-C124 PolarHBondContact O-SG 3.14Å |
| 121 | Q | 94.9 | Very high | 92.2 | Very high | 128 Ų | 128 | 82.9 Ų | 82.9 | 60% | 0.598 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59 | -46.3 | 176.9 | -179 | 177.5 | -13.7 | 0 | 0 | 111.1 | A117 A118 Y123 C124 M125 | A117-Q121 WeakPolarHBondContact O-CB 3.35Å; A117-Q121 PolarHBondContact O-N 3.26Å; A118-Q121 PolarHBondContact O-N 3.38Å; Q121-Y123 VanDerWaalsContact C-N 3.33Å; Q121-Y123 PolarHBondContact O-N 2.97Å; Q121-C124 PolarHBondContact O-N 2.92Å; Q121-M125 HydrophobicContact CG-SD 4.39Å; Q121-M125 WeakPolarHBondContact O-CG 3.48Å; Q121-M125 PolarHBondContact O-N 3.47Å |
| 122 | Q | 95 | Very high | 91.7 | Very high | 102 Ų | 102 | 85 Ų | 85 | 48% | 0.477 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 177.7 | -176.8 | 65.1 | -3.6 | 0 | 0 | 111.7 | A118 E119 L120 M125 Q126 | A118-Q122 WeakPolarHBondContact O-CB 3.44Å; A118-Q122 PolarHBondContact O-N 2.92Å; E119-Q122 PolarHBondContact O-N 3.09Å; L120-Q122 VanDerWaalsContact C-N 3.32Å; L120-Q122 PolarHBondContact O-N 3.24Å; Q122-M125 PolarHBondContact O-N 3.34Å; Q122-Q126 VanDerWaalsContact O-CG 3.27Å; Q122-Q126 WeakPolarHBondContact O-CG 3.41Å; Q122-Q126 PolarHBondContact O-N 3.12Å |
| 123 | Y | 94.8 | Very high | 91.2 | Very high | 147 Ų | 147 | 87.7 Ų | 87.7 | 58% | 0.576 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.7 | -44.7 | 175.3 | 178 | -91.3 | 0 | 0 | 0 | 112.1 | E119 L120 Q121 Q126 N127 | E119-Y123 WeakPolarHBondContact O-CB 3.39Å; E119-Y123 PolarHBondContact O-N 3.19Å; L120-Y123 WeakPolarHBondContact O-CB 3.44Å; L120-Y123 PolarHBondContact O-N 2.93Å; Q121-Y123 VanDerWaalsContact C-N 3.33Å; Q121-Y123 PolarHBondContact O-N 2.97Å; Y123-Q126 PolarHBondContact O-N 3.44Å; Y123-N127 VanDerWaalsContact CD2-ND2 3.32Å; Y123-N127 WeakPolarHBondContact CD2-ND2 3.45Å; Y123-N127 WeakPolarHBondContact CE1-ND2 3.35Å; Y123-N127 WeakPolarHBondContact CE2-ND2 3.3Å; Y123-N127 PolarHBondContact O-N 3.09Å; Y123-N127 PolarHBondContact O-ND2 3.2Å |
| 124 | C | 93.7 | Very high | 90.8 | Very high | 68 Ų | 68 | 88.8 Ų | 88.8 | 46% | 0.459 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 177.1 | -70.4 | 0 | 0 | 0 | 0 | 111.2 | L120 Q121 Q126 N127 A128 | L120-C124 WeakPolarHBondContact O-CB 3.27Å; L120-C124 PolarHBondContact O-N 2.75Å; L120-C124 PolarHBondContact O-SG 3.14Å; Q121-C124 PolarHBondContact O-N 2.92Å; C124-Q126 VanDerWaalsContact C-N 3.33Å; C124-Q126 PolarHBondContact O-N 3.4Å; C124-N127 PolarHBondContact O-N 2.84Å; C124-A128 WeakPolarHBondContact O-CB 3.42Å; C124-A128 PolarHBondContact O-N 3.07Å |
| 125 | M | 91.9 | Very high | 90.4 | Very high | 125 Ų | 125 | 91 Ų | 91 | 62% | 0.616 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 178 | -72.2 | -177.1 | 72.5 | 0 | 0 | 112.5 | Q121 Q122 N127 | Q121-M125 HydrophobicContact CG-SD 4.39Å; Q121-M125 WeakPolarHBondContact O-CG 3.48Å; Q121-M125 PolarHBondContact O-N 3.47Å; Q122-M125 PolarHBondContact O-N 3.34Å; M125-N127 VanDerWaalsContact C-N 3.34Å |
| 126 | Q | 92.7 | Very high | 89.7 | Confident | 111 Ų | 111 | 91.2 Ų | 91.2 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70 | -30.4 | 179.2 | -72.3 | 174.7 | 11.6 | 0 | 0 | 113.4 | Q122 Y123 C124 | Q122-Q126 VanDerWaalsContact O-CG 3.27Å; Q122-Q126 WeakPolarHBondContact O-CG 3.41Å; Q122-Q126 PolarHBondContact O-N 3.12Å; Y123-Q126 PolarHBondContact O-N 3.44Å; C124-Q126 VanDerWaalsContact C-N 3.33Å; C124-Q126 PolarHBondContact O-N 3.4Å |
| 127 | N | 93.2 | Very high | 89.1 | Confident | 39 Ų | 39 | 93.1 Ų | 93.1 | 21% | 0.209 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -99.9 | -7.4 | -178.2 | -65.7 | -60.3 | 0 | 0 | 0 | 113.7 | Y123 C124 M125 C129 K130 D131 | Y123-N127 VanDerWaalsContact CD2-ND2 3.32Å; Y123-N127 WeakPolarHBondContact CD2-ND2 3.45Å; Y123-N127 WeakPolarHBondContact CE1-ND2 3.35Å; Y123-N127 WeakPolarHBondContact CE2-ND2 3.3Å; Y123-N127 PolarHBondContact O-N 3.09Å; Y123-N127 PolarHBondContact O-ND2 3.2Å; C124-N127 PolarHBondContact O-N 2.84Å; M125-N127 VanDerWaalsContact C-N 3.34Å; N127-C129 PolarHBondContact O-N 3.3Å; N127-K130 WeakPolarHBondContact O-CB 3.48Å; N127-K130 PolarHBondContact O-N 3.49Å; N127-K130 PolarHBondContact OD1-NZ 3.37Å; N127-D131 PolarHBondContact O-N 3.45Å |
| 128 | A | 90.6 | Very high | 88.2 | Confident | 36 Ų | 36 | 94.9 Ų | 94.9 | 30% | 0.298 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -55 | -36.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C124 K130 D131 L134 V135 | C124-A128 WeakPolarHBondContact O-CB 3.42Å; C124-A128 PolarHBondContact O-N 3.07Å; A128-K130 PolarHBondContact O-N 3.37Å; A128-D131 PolarHBondContact O-N 2.86Å; A128-L134 HydrophobicContact CB-CD1 4.07Å; A128-V135 WeakPolarHBondContact O-CG2 3.15Å |
| 129 | C | 83.6 | Confident | 87.2 | Confident | 91 Ų | 91 | 94.5 Ų | 94.5 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -70.5 | -16.5 | 178.2 | 66.1 | 0 | 0 | 0 | 0 | 114.4 | N127 | N127-C129 PolarHBondContact O-N 3.3Š|
| 130 | K | 85.2 | Confident | 86.3 | Confident | 155 Ų | 155 | 93.7 Ų | 93.7 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -95.9 | -16.2 | 178.3 | -58.2 | 174.8 | -168.7 | 158.5 | 0 | 112.1 | N127 A128 A132 | N127-K130 WeakPolarHBondContact O-CB 3.48Å; N127-K130 PolarHBondContact O-N 3.49Å; N127-K130 PolarHBondContact OD1-NZ 3.37Å; A128-K130 PolarHBondContact O-N 3.37Å; K130-A132 PolarHBondContact O-N 2.94Å |
| 131 | D | 85.8 | Confident | 85.3 | Confident | 68 Ų | 68 | 91.8 Ų | 91.8 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | trans | -76 | 108.6 | 178.7 | -167.4 | -18.6 | 0 | 0 | 0 | 109.6 | N127 A128 L133 L134 V135 | N127-D131 PolarHBondContact O-N 3.45Å; A128-D131 PolarHBondContact O-N 2.86Å; D131-L133 PolarHBondContact O-N 3.39Å; D131-L133 WeakPolarHBondContact OD1-CB 3.43Å; D131-L133 PolarHBondContact OD1-N 3.14Å; D131-L134 HydrophobicContact CB-CB 4.17Å; D131-L134 HydrophobicContact CB-CD1 3.97Å; D131-L134 HydrophobicContact CB-CG 3.97Å; D131-L134 PolarHBondContact O-N 2.93Å; D131-V135 PolarHBondContact O-N 3.47Å | ||
| 132 | A | 82.8 | Confident | 84.3 | Confident | 52 Ų | 52 | 88.9 Ų | 88.9 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -23.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K130 G136 V137 | K130-A132 PolarHBondContact O-N 2.94Å; A132-G136 CarbonylContact O-C 3.55Å; A132-G136 WeakPolarHBondContact O-CA 3.27Å; A132-G136 PolarHBondContact O-N 3.47Å; A132-V137 HydrophobicContact CB-CG2 3.9Å |
| 133 | L | 84.4 | Confident | 83.5 | Confident | 161 Ų | 161 | 89.6 Ų | 89.6 | 84% | 0.843 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.1 | -28.6 | 174.6 | -61.6 | 179 | 0 | 0 | 0 | 112.4 | D131 | D131-L133 PolarHBondContact O-N 3.39Å; D131-L133 WeakPolarHBondContact OD1-CB 3.43Å; D131-L133 PolarHBondContact OD1-N 3.14Å |
| 134 | L | 85.2 | Confident | 82.6 | Confident | 122 Ų | 122 | 91.4 Ų | 91.4 | 64% | 0.639 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -89.9 | -39.6 | -179.3 | -62 | -179.7 | 0 | 0 | 0 | 112.7 | A128 D131 | A128-L134 HydrophobicContact CB-CD1 4.07Å; D131-L134 HydrophobicContact CB-CB 4.17Å; D131-L134 HydrophobicContact CB-CD1 3.97Å; D131-L134 HydrophobicContact CB-CG 3.97Å; D131-L134 PolarHBondContact O-N 2.93Å |
| 135 | V | 83.9 | Confident | 81.3 | Confident | 99 Ų | 99 | 93.8 Ų | 93.8 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -93.8 | -19.1 | -176.7 | -176 | 0 | 0 | 0 | 0 | 112.7 | A128 D131 | A128-V135 WeakPolarHBondContact O-CG2 3.15Å; D131-V135 PolarHBondContact O-N 3.47Å |
| 136 | G | 77.7 | Confident | 80.4 | Confident | 41 Ų | 41 | 96 Ų | 96 | 42% | 0.423 | 56% | 0.556 | S | S | . | * | trans | 80 | 142.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A132 P138 | A132-G136 CarbonylContact O-C 3.55Å; A132-G136 WeakPolarHBondContact O-CA 3.27Å; A132-G136 PolarHBondContact O-N 3.47Å; G136-P138 WeakPolarHBondContact O-CD 3.35Å | ||
| 137 | V | 79.6 | Confident | 79.3 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 56% | 0.558 | 57% | 0.568 | S | S | * | * | trans | -72.1 | 122.1 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | A132 A139 S141 | A132-V137 HydrophobicContact CB-CG2 3.9Å; V137-A139 PolarHBondContact O-N 3.25Å; V137-S141 WeakPolarHBondContact CG1-OG 3.5Å | ||
| 138 | P | 76.1 | Confident | 77.8 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 58% | 0.578 | 59% | 0.594 | S | S | * | * | trans | -60.1 | 136.1 | 178.5 | 21.7 | -28.4 | 0 | 0 | 0 | 109.5 | G136 G140 S141 | G136-P138 WeakPolarHBondContact O-CD 3.35Å; P138-G140 PolarHBondContact O-N 3.48Å; P138-S141 WeakPolarHBondContact CG-OG 3.31Å; P138-S141 PolarHBondContact O-N 3.28Å; P138-S141 PolarHBondContact O-OG 3.08Å | ||
| 139 | A | 71.3 | Confident | 76.4 | Confident | 49 Ų | 49 | 107.8 Ų | 107.8 | 41% | 0.405 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | -8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | V137 R145 | V137-A139 PolarHBondContact O-N 3.25Å; A139-R145 WeakPolarHBondContact O-CD 3.29Å |
| 140 | G | 74.9 | Confident | 75.3 | Confident | 83 Ų | 83 | 108.9 Ų | 108.9 | 86% | 0.856 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -15.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P138 | P138-G140 PolarHBondContact O-N 3.48Š|
| 141 | S | 73.8 | Confident | 74 | Confident | 69 Ų | 69 | 106 Ų | 106 | 48% | 0.483 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -95.6 | 6.4 | 173.9 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | V137 P138 P143 | V137-S141 WeakPolarHBondContact CG1-OG 3.5Å; P138-S141 WeakPolarHBondContact CG-OG 3.31Å; P138-S141 PolarHBondContact O-N 3.28Å; P138-S141 PolarHBondContact O-OG 3.08Å; S141-P143 VanDerWaalsContact O-CD 3.26Å; S141-P143 WeakPolarHBondContact O-CD 3.32Å |
| 142 | N | 74.5 | Confident | 72.9 | Confident | 68 Ų | 68 | 110.3 Ų | 110.3 | 36% | 0.364 | 65% | 0.652 | S | S | . | * | trans | -84.6 | 109.1 | 178.6 | -177.5 | -3.4 | 0 | 0 | 0 | 110 | F144 R145 | N142-F144 PolarHBondContact O-N 3.33Å; N142-F144 PolarHBondContact OD1-N 2.97Å; N142-R145 HydrophobicContact CB-CB 4.09Å; N142-R145 PolarHBondContact O-N 3.34Å; N142-R145 VanDerWaalsContact O-N 3.1Å | ||
| 143 | P | 77.1 | Confident | 71.2 | Confident | 116 Ų | 116 | 119.5 Ų | 119.5 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -13.6 | -177.2 | 29.3 | -35.9 | 0 | 0 | 0 | 113.7 | S141 | S141-P143 VanDerWaalsContact O-CD 3.26Å; S141-P143 WeakPolarHBondContact O-CD 3.32Å |
| 144 | F | 75.8 | Confident | 70.5 | Confident | 186 Ų | 186 | 117.4 Ų | 117.4 | 82% | 0.816 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -2 | 176.3 | -57.7 | -72.8 | 0 | 0 | 0 | 113.2 | N142 | N142-F144 PolarHBondContact O-N 3.33Å; N142-F144 PolarHBondContact OD1-N 2.97Å |
| 145 | R | 67.3 | Low | 69.7 | Low | 117 Ų | 117 | 117.2 Ų | 117.2 | 44% | 0.442 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -89.2 | 118.5 | 177.8 | -161.2 | 180 | -163.3 | -158.7 | 6.8 | 109 | A139 N142 | A139-R145 WeakPolarHBondContact O-CD 3.29Å; N142-R145 HydrophobicContact CB-CB 4.09Å; N142-R145 PolarHBondContact O-N 3.34Å; N142-R145 VanDerWaalsContact O-N 3.1Å |
| 146 | E | 72.1 | Confident | 68.9 | Low | 173 Ų | 173 | 118.2 Ų | 118.2 | 81% | 0.808 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 133.7 | 174.4 | -69.5 | 177 | 179 | 0 | 0 | 110.1 | R148 | E146-R148 PolarHBondContact O-N 3.07Š|
| 147 | P | 70.6 | Confident | 68.4 | Low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 129.5 | 175.7 | -2.5 | 8.2 | 0 | 0 | 0 | 108.3 | S149 | P147-S149 PolarHBondContact O-N 3.15Š|
| 148 | R | 61.8 | Low | 67.7 | Low | 203 Ų | 203 | 124.6 Ų | 124.6 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | -67.2 | 86.3 | 171.7 | -70.1 | -169.7 | 173.5 | -177.7 | -3.8 | 108.2 | E146 C150 | E146-R148 PolarHBondContact O-N 3.07Å; R148-C150 VanDerWaalsContact C-N 3.3Å; R148-C150 PolarHBondContact O-N 3.19Å | ||
| 149 | S | 62.1 | Low | 67.2 | Low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -62.5 | 101.7 | 158.1 | 48.5 | 0 | 0 | 0 | 0 | 105.9 | P147 A151 | P147-S149 PolarHBondContact O-N 3.15Å; S149-A151 PolarHBondContact O-N 3.11Å | ||
| 150 | C | 59.5 | Low | 66.9 | Low | 115 Ų | 115 | 132.6 Ų | 132.6 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | -64.4 | 94.1 | 162 | -73.3 | 0 | 0 | 0 | 0 | 106.2 | R148 L152 | R148-C150 VanDerWaalsContact C-N 3.3Å; R148-C150 PolarHBondContact O-N 3.19Å; C150-L152 PolarHBondContact O-N 3.13Å | ||
| 151 | A | 58.4 | Low | 66.3 | Low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | trans | -70.2 | 84.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | S149 L153 | S149-A151 PolarHBondContact O-N 3.11Å; A151-L153 VanDerWaalsContact C-N 3.33Å; A151-L153 PolarHBondContact O-N 3.37Å | ||
| 152 | L | 62 | Low | 65.6 | Low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -76.9 | 96.2 | 152.8 | -76.9 | 169.7 | 0 | 0 | 0 | 105.6 | C150 | C150-L152 PolarHBondContact O-N 3.13Š| ||
| 153 | L | 46.5 | Very low | 64.8 | Low | 245 Ų | 245 | 148.7 Ų | 148.7 | 100% | 1.283 | 80% | 0.799 | S | S | * | * | trans | 166.1 | 0 | 144.4 | -87.2 | 165.2 | 0 | 0 | 0 | 109.7 | A151 | A151-L153 VanDerWaalsContact C-N 3.33Å; A151-L153 PolarHBondContact O-N 3.37Å |
Retrieved 153 of 153 residues in 467.9 ms
(Link to these results)