| 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 | 49.4 | Very low | 50.3 | Low | 232 Ų | 232 | 146.6 Ų | 146.6 | 100% | 1.143 | 80% | 0.795 | S | S | * | * | 0 | 147.2 | 0 | -64 | 64.8 | 160 | 0 | 0 | 108.1 | |||||
| 2 | S | 45.7 | Very low | 51.3 | Low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -143.9 | 119.6 | 166.6 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | M | 45.1 | Very low | 51.4 | Low | 173 Ų | 173 | 137 Ų | 137 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | -110.7 | 103.9 | -177.2 | -66.4 | -62.1 | -162.9 | 0 | 0 | 108.8 | P5 | M3-P5 WeakPolarHBondContact O-CD 3.32Š| ||
| 4 | S | 46.8 | Very low | 51.9 | Low | 97 Ų | 97 | 132.6 Ų | 132.6 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | -95 | 114.7 | 172.9 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | K6 | S4-K6 PolarHBondContact O-N 3.49Š| ||
| 5 | P | 53.7 | Low | 52.4 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -69.8 | 98.2 | 178.7 | -19.3 | 33.7 | 0 | 0 | 0 | 111.7 | M3 H7 | M3-P5 WeakPolarHBondContact O-CD 3.32Å; P5-H7 VanDerWaalsContact C-N 3.28Å; P5-H7 PolarHBondContact O-N 3.27Å | ||
| 6 | K | 51.5 | Low | 53 | Low | 203 Ų | 203 | 129.8 Ų | 129.8 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | trans | -76.8 | 75.3 | 170 | -69 | -176 | 179.2 | -179.9 | 0 | 110.3 | S4 T8 | S4-K6 PolarHBondContact O-N 3.49Å; K6-T8 PolarHBondContact O-N 3.26Å | ||
| 7 | H | 52.2 | Low | 52.8 | Low | 179 Ų | 179 | 128 Ų | 128 | 83% | 0.829 | 71% | 0.707 | S | S | * | * | trans | -78.7 | 106.5 | 170.8 | -146.6 | -60.2 | 0 | 0 | 0 | 110.2 | P5 | P5-H7 VanDerWaalsContact C-N 3.28Å; P5-H7 PolarHBondContact O-N 3.27Å | ||
| 8 | T | 50.4 | Low | 52.8 | Low | 109 Ų | 109 | 124.9 Ų | 124.9 | 67% | 0.669 | 70% | 0.695 | S | S | * | * | trans | -69 | 149.2 | 173.9 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | K6 | K6-T8 PolarHBondContact O-N 3.26Š| ||
| 9 | T | 57.9 | Low | 52.8 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | -89.7 | 117 | 171 | 47.1 | 0 | 0 | 0 | 0 | 109.2 | F11 | T9-F11 PolarHBondContact O-N 3Š| ||
| 10 | P | 58.3 | Low | 52.4 | Low | 104 Ų | 104 | 123 Ų | 123 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -83.3 | 32.5 | -167.3 | 36 | -39 | 0 | 0 | 0 | 114.3 | ||
| 11 | F | 42 | Very low | 52.4 | Low | 166 Ų | 166 | 122.7 Ų | 122.7 | 73% | 0.728 | 68% | 0.68 | S | S | * | * | trans | -137.8 | 120 | 177.3 | -62.8 | -71.7 | 0 | 0 | 0 | 109.4 | T9 | T9-F11 PolarHBondContact O-N 3Š| ||
| 12 | S | 62.3 | Low | 52.3 | Low | 59 Ų | 59 | 119.3 Ų | 119.3 | 41% | 0.413 | 66% | 0.661 | S | S | . | * | trans | -85.3 | 154.1 | 169.4 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | S14 D15 | S12-S14 PolarHBondContact O-N 2.97Å; S12-S14 PolarHBondContact OG-N 2.93Å; S12-S14 PolarHBondContact OG-OG 3.2Å; S12-D15 WeakPolarHBondContact CA-OD2 3.36Å; S12-D15 WeakPolarHBondContact CB-OD2 3.47Å; S12-D15 PolarHBondContact N-OD2 2.81Å; S12-D15 PolarHBondContact O-N 2.81Å; S12-D15 VanDerWaalsContact O-N 3.1Å | ||
| 13 | V | 53.6 | Low | 52.4 | Low | 109 Ų | 109 | 118 Ų | 118 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -26.1 | 168.2 | 177.8 | 0 | 0 | 0 | 0 | 111 | D15 I16 | V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 2.78Å; V13-I16 PolarHBondContact O-N 3.49Å |
| 14 | S | 58.4 | Low | 52.3 | Low | 75 Ų | 75 | 115.9 Ų | 115.9 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -53.9 | -42.2 | 172.3 | -46.8 | 0 | 0 | 0 | 0 | 113.2 | S12 I16 L17 S18 | S12-S14 PolarHBondContact O-N 2.97Å; S12-S14 PolarHBondContact OG-N 2.93Å; S12-S14 PolarHBondContact OG-OG 3.2Å; S14-I16 PolarHBondContact O-N 3Å; S14-L17 PolarHBondContact O-N 3.44Å; S14-S18 PolarHBondContact O-OG 3.03Å |
| 15 | D | 59 | Low | 52.3 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 51% | 0.513 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.2 | -20.2 | -173.5 | -57.2 | -56.6 | 0 | 0 | 0 | 112.8 | S12 V13 | S12-D15 WeakPolarHBondContact CA-OD2 3.36Å; S12-D15 WeakPolarHBondContact CB-OD2 3.47Å; S12-D15 PolarHBondContact N-OD2 2.81Å; S12-D15 PolarHBondContact O-N 2.81Å; S12-D15 VanDerWaalsContact O-N 3.1Å; V13-D15 VanDerWaalsContact C-N 3.3Å; V13-D15 PolarHBondContact O-N 2.78Å |
| 16 | I | 61.6 | Low | 51.8 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -84.5 | -25 | -177.5 | -58.3 | 175.7 | 0 | 0 | 0 | 111.5 | V13 S14 | V13-I16 PolarHBondContact O-N 3.49Å; S14-I16 PolarHBondContact O-N 3Å |
| 17 | L | 50.2 | Low | 51.4 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -95.7 | -32.1 | -171.6 | -69.8 | 169.6 | 0 | 0 | 0 | 113.8 | S14 P19 L20 | S14-L17 PolarHBondContact O-N 3.44Å; L17-P19 VanDerWaalsContact C-N 3.34Å; L17-P19 VanDerWaalsContact O-N 3.17Å; L17-L20 PolarHBondContact O-N 3.07Å; L17-L20 VanDerWaalsContact O-N 3.07Å |
| 18 | S | 53 | Low | 51 | Low | 72 Ų | 72 | 111.6 Ų | 111.6 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -49.5 | -40.3 | -179.1 | -52.6 | 0 | 0 | 0 | 0 | 115.4 | S14 L20 E21 | S14-S18 PolarHBondContact O-OG 3.03Å; S18-L20 PolarHBondContact O-N 3.24Å; S18-L20 VanDerWaalsContact O-N 3.14Å; S18-E21 PolarHBondContact O-N 3.44Å; S18-E21 VanDerWaalsContact O-N 3.15Å |
| 19 | P | 51.5 | Low | 51.1 | Low | 87 Ų | 87 | 114.5 Ų | 114.5 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.8 | -19 | -179.1 | -23.5 | 35.4 | 0 | 0 | 0 | 115.2 | L17 | L17-P19 VanDerWaalsContact C-N 3.34Å; L17-P19 VanDerWaalsContact O-N 3.17Å |
| 20 | L | 45.4 | Very low | 50.5 | Low | 125 Ų | 125 | 115.5 Ų | 115.5 | 65% | 0.654 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.8 | -24.7 | 177.2 | -79.7 | 166.3 | 0 | 0 | 0 | 112.9 | L17 S18 Y24 | L17-L20 PolarHBondContact O-N 3.07Å; L17-L20 VanDerWaalsContact O-N 3.07Å; S18-L20 PolarHBondContact O-N 3.24Å; S18-L20 VanDerWaalsContact O-N 3.14Å; L20-Y24 WeakPolarHBondContact O-CD1 3.46Å |
| 21 | E | 51.5 | Low | 49.8 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 55% | 0.547 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -81.7 | -29.9 | -173.2 | -63.8 | -152.3 | 139.2 | 0 | 0 | 114.4 | S18 S23 Y24 | S18-E21 PolarHBondContact O-N 3.44Å; S18-E21 VanDerWaalsContact O-N 3.15Å; E21-S23 VanDerWaalsContact C-N 3.35Å; E21-Y24 VanDerWaalsContact CA-CE1 3.48Å; E21-Y24 HydrophobicContact CB-CE1 4.06Å; E21-Y24 WeakPolarHBondContact CB-OH 3.43Å; E21-Y24 VanDerWaalsContact CD-OH 3.31Å; E21-Y24 HydrophobicContact CG-CE1 4.07Å; E21-Y24 WeakPolarHBondContact CG-OH 3.22Å; E21-Y24 WeakPolarHBondContact O-CE2 3.44Å; E21-Y24 PolarHBondContact OE1-OH 3.15Å |
| 22 | E | 48.8 | Very low | 50.1 | Low | 160 Ų | 160 | 116.9 Ų | 116.9 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.8 | -27.3 | 177.2 | -66.8 | -171.4 | 115.8 | 0 | 0 | 112.7 | ||
| 23 | S | 47.7 | Very low | 48.8 | Very low | 80 Ų | 80 | 121.8 Ų | 121.8 | 56% | 0.559 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.5 | -37.1 | -176.5 | -70.2 | 0 | 0 | 0 | 0 | 113.4 | E21 | E21-S23 VanDerWaalsContact C-N 3.35Å |
| 24 | Y | 42.8 | Very low | 48.6 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 51% | 0.506 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -78.1 | -27 | -178.7 | 57.3 | -117.3 | 0 | 0 | 0 | 113.8 | L20 E21 | L20-Y24 WeakPolarHBondContact O-CD1 3.46Å; E21-Y24 VanDerWaalsContact CA-CE1 3.48Å; E21-Y24 HydrophobicContact CB-CE1 4.06Å; E21-Y24 WeakPolarHBondContact CB-OH 3.43Å; E21-Y24 VanDerWaalsContact CD-OH 3.31Å; E21-Y24 HydrophobicContact CG-CE1 4.07Å; E21-Y24 WeakPolarHBondContact CG-OH 3.22Å; E21-Y24 WeakPolarHBondContact O-CE2 3.44Å; E21-Y24 PolarHBondContact OE1-OH 3.15Å |
| 25 | K | 46.8 | Very low | 47.5 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -71.7 | -35.4 | 178.5 | -88.9 | 178.9 | 175.3 | 171 | 0 | 112.8 | V27 S28 | K25-V27 PolarHBondContact O-N 3.38Å; K25-S28 PolarHBondContact O-N 2.78Å |
| 26 | K | 43.2 | Very low | 46.6 | Very low | 126 Ų | 126 | 125 Ų | 125 | 55% | 0.548 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -67.4 | -37.1 | -176.9 | -162.5 | 172 | -170.2 | -71.9 | 0 | 113.3 | S28 E30 | K26-S28 PolarHBondContact O-N 3.26Å; K26-E30 IonicContact NZ-OE1 3.87Å; K26-E30 PolarHBondContact NZ-OE1 2.79Å; K26-E30 IonicContact NZ-OE2 3.96Å; K26-E30 PolarHBondContact NZ-OE2 3.49Å |
| 27 | V | 41.9 | Very low | 45.9 | Very low | 125 Ų | 125 | 125 Ų | 125 | 76% | 0.758 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -66.5 | -23.2 | -178.5 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | K25 | K25-V27 PolarHBondContact O-N 3.38Å |
| 28 | S | 45.4 | Very low | 45.4 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 0.4 | -172.1 | -164.4 | 0 | 0 | 0 | 0 | 115.8 | K25 K26 | K25-S28 PolarHBondContact O-N 2.78Å; K26-S28 PolarHBondContact O-N 3.26Å |
| 29 | M | 51.2 | Low | 44.6 | Very low | 171 Ų | 171 | 129.9 Ų | 129.9 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.6 | -10.9 | -179.5 | -78.3 | -169.1 | 163.7 | 0 | 0 | 115.9 | N31 | M29-N31 PolarHBondContact O-N 3.02Å; M29-N31 VanDerWaalsContact O-N 3.12Å |
| 30 | E | 45.6 | Very low | 43.8 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 64% | 0.64 | 74% | 0.742 | S | S | * | * | trans | -84.1 | 24.7 | -178.7 | -67.1 | -175.7 | 134.4 | 0 | 0 | 114.3 | K26 | K26-E30 IonicContact NZ-OE1 3.87Å; K26-E30 PolarHBondContact NZ-OE1 2.79Å; K26-E30 IonicContact NZ-OE2 3.96Å; K26-E30 PolarHBondContact NZ-OE2 3.49Å | ||
| 31 | N | 43.9 | Very low | 43 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -110.1 | 51.5 | 171 | -172 | 39 | 0 | 0 | 0 | 112.1 | M29 | M29-N31 PolarHBondContact O-N 3.02Å; M29-N31 VanDerWaalsContact O-N 3.12Å |
| 32 | N | 48.5 | Very low | 42.2 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -178.9 | 82.2 | 155.7 | -104.3 | -62.4 | 0 | 0 | 0 | 111.3 | ||
| 33 | N | 35.1 | Very low | 41.3 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | trans | -162 | 157.7 | 138.8 | -133.5 | -32.3 | 0 | 0 | 0 | 113.4 | ||||
| 34 | L | 49 | Very low | 41 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -108.4 | 144 | 174.9 | -71 | 164.8 | 0 | 0 | 0 | 110.1 | ||||
| 35 | G | 36.4 | Very low | 40.6 | Very low | 79 Ų | 79 | 146.4 Ų | 146.4 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 99.7 | 116.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 36 | A | 38.7 | Very low | 40 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -120.6 | 120.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 37 | P | 48 | Very low | 39.7 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 153.3 | 161.7 | 33.6 | -30.9 | 0 | 0 | 0 | 110.9 | ||
| 38 | L | 39.3 | Very low | 39.3 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 133.6 | -176.7 | -68.7 | 161.6 | 0 | 0 | 0 | 112.2 | S40 | L38-S40 PolarHBondContact O-N 3.34Š|
| 39 | A | 37 | Very low | 38.9 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 117.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 40 | S | 33.5 | Very low | 38.2 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 156.5 | -179.3 | -70.4 | 0 | 0 | 0 | 0 | 113.6 | L38 | L38-S40 PolarHBondContact O-N 3.34Š|
| 41 | Y | 29.2 | Very low | 37.8 | Very low | 234 Ų | 234 | 146.3 Ų | 146.3 | 92% | 0.918 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 132.3 | 178.7 | -133.9 | -108.7 | 0 | 0 | 0 | 112.2 | ||
| 42 | R | 33.4 | Very low | 37.5 | Very low | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -90.8 | 114.9 | 179.1 | -160.9 | -179.3 | -166 | -163.4 | 4.9 | 110.9 | ||||
| 43 | Q | 31.1 | Very low | 37 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 73% | 0.729 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 133.4 | -179.1 | -146.6 | -83.8 | -5.8 | 0 | 0 | 109.8 | ||
| 44 | P | 41.2 | Very low | 36.9 | Very low | 103 Ų | 103 | 148 Ų | 148 | 67% | 0.669 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 119.4 | -178.2 | 32.1 | -31.9 | 0 | 0 | 0 | 111.9 | ||
| 45 | Q | 33.3 | Very low | 36.2 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.9 | 172.3 | -68.2 | -170 | -66.1 | 0 | 0 | 112.1 | ||
| 46 | V | 35.2 | Very low | 36.2 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -124.9 | 138 | 161.9 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 47 | S | 37.5 | Very low | 36 | Very low | 124 Ų | 124 | 152 Ų | 152 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -69.5 | 143.9 | -165.8 | -52.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 48 | Q | 33.7 | Very low | 35.6 | Very low | 191 Ų | 191 | 155 Ų | 155 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -88 | 140.1 | 173.7 | -176.2 | 176.9 | 85.6 | 0 | 0 | 111 | ||||
| 49 | A | 36.1 | Very low | 35.3 | Very low | 101 Ų | 101 | 155 Ų | 155 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -122.3 | 156.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 50 | A | 35.8 | Very low | 35.2 | Very low | 87 Ų | 87 | 152.8 Ų | 152.8 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | trans | -124.7 | 161 | -159.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 51 | M | 37.8 | Very low | 35.2 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 86% | 0.862 | 82% | 0.815 | S | S | * | * | trans | 65.9 | 153 | 171.7 | -68.8 | 177.4 | 154.3 | 0 | 0 | 115.3 | ||||
| 52 | Q | 37.9 | Very low | 35.7 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | cis | -146.4 | 162 | 18 | -167.8 | 79.3 | 26.1 | 0 | 0 | 109.8 | ||||
| 53 | Q | 36.9 | Very low | 35.7 | Very low | 157 Ų | 157 | 142.8 Ų | 142.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -84.6 | 152.9 | 170.3 | -65.8 | -173.3 | -2.3 | 0 | 0 | 112.9 | ||||
| 54 | H | 34.9 | Very low | 35.9 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -158.8 | 178.7 | 146.2 | -94.5 | -62.1 | 0 | 0 | 0 | 111.3 | ||||
| 55 | H | 34.1 | Very low | 35.6 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 75% | 0.75 | 81% | 0.807 | S | S | * | * | trans | -117.9 | 176.1 | -158.4 | -79.9 | 54.9 | 0 | 0 | 0 | 115.5 | ||||
| 56 | M | 35.9 | Very low | 35.6 | Very low | 199 Ų | 199 | 139.3 Ų | 139.3 | 98% | 0.98 | 80% | 0.802 | S | S | * | * | trans | 79.9 | 151.6 | 175.5 | -62.5 | -169.1 | 161.5 | 0 | 0 | 117.3 | ||||
| 57 | G | 34.2 | Very low | 36.1 | Very low | 69 Ų | 69 | 141.2 Ų | 141.2 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | cis | 158.4 | 137.6 | -12 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 58 | H | 39 | Very low | 36.3 | Very low | 189 Ų | 189 | 143.9 Ų | 143.9 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | 60.1 | 105.2 | 163.8 | -84.1 | 89 | 0 | 0 | 0 | 122.2 | ||||
| 59 | N | 33 | Very low | 36.5 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | -174.5 | 154.6 | 117.8 | -109.8 | -45.8 | 0 | 0 | 0 | 109.4 | |||||
| 60 | G | 34.9 | Very low | 36.6 | Very low | 58 Ų | 58 | 141.5 Ų | 141.5 | 60% | 0.598 | 80% | 0.801 | S | S | * | * | cis | 169.8 | 87.8 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 61 | T | 35.1 | Very low | 36.7 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | 18 | 123.4 | 163.1 | 44.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 62 | V | 39.5 | Very low | 36.7 | Very low | 143 Ų | 143 | 138 Ų | 138 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | -159.7 | 122.1 | 109.3 | -91.5 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 63 | S | 33.1 | Very low | 36.7 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | 89.3 | 80 | 59.7 | -67.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 64 | A | 35.4 | Very low | 36.6 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -161.5 | 94.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 65 | A | 34.7 | Very low | 36.8 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 59% | 0.587 | 80% | 0.802 | S | S | * | * | trans | -83.7 | 177.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 66 | Y | 33.8 | Very low | 36.9 | Very low | 206 Ų | 206 | 132.5 Ų | 132.5 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | cis | -154.9 | 152.9 | 20.8 | -18.2 | -105.2 | 0 | 0 | 0 | 103.8 | ||||
| 67 | H | 45.4 | Very low | 37 | Very low | 182 Ų | 182 | 126.9 Ų | 126.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | -174.8 | 160.2 | 68.1 | 47.7 | -86.4 | 0 | 0 | 0 | 111.5 | |||||
| 68 | M | 40.4 | Very low | 37.1 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -107.6 | 152.2 | 166.3 | -68.6 | -82.4 | -167.3 | 0 | 0 | 109.6 | ||||
| 69 | T | 38.2 | Very low | 37 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | 179 | 149.1 | 138.9 | -78.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 70 | A | 38.2 | Very low | 37.3 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -127.5 | 152.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 71 | A | 37.6 | Very low | 37.4 | Very low | 108 Ų | 108 | 132 Ų | 132 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -163.6 | 142.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 72 | G | 38.3 | Very low | 37.4 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | 152.1 | 44.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 73 | V | 37.7 | Very low | 37.6 | Very low | 117 Ų | 117 | 125 Ų | 125 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | trans | -86.5 | 145.4 | -175.5 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | Q75 | V73-Q75 HydrophobicContact CG1-CG 4.27Š| ||
| 74 | S | 35.5 | Very low | 37.8 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -128.2 | 130.7 | 147.4 | -74 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 75 | Q | 39.3 | Very low | 37.9 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | -74.5 | 174.6 | 169.2 | -64.3 | -77.3 | -93 | 0 | 0 | 107.9 | V73 | V73-Q75 HydrophobicContact CG1-CG 4.27Š| ||
| 76 | L | 35.2 | Very low | 38.1 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | cis | -138 | 164.5 | 30.7 | -75.9 | 77.5 | 0 | 0 | 0 | 113.5 | ||||
| 77 | S | 38.2 | Very low | 38.2 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 57% | 0.566 | 79% | 0.794 | S | S | * | * | trans | -68.5 | 169.2 | 175.7 | -40.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 78 | H | 37.1 | Very low | 37.6 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | -154.8 | 166.8 | 63.6 | -86.2 | -84.6 | 0 | 0 | 0 | 116.4 | |||||
| 79 | T | 35.5 | Very low | 37.5 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | trans | -59.3 | 156.9 | -171.1 | -47.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 80 | A | 39.7 | Very low | 37.3 | Very low | 86 Ų | 86 | 123.7 Ų | 123.7 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -64.8 | 155.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 81 | M | 36.7 | Very low | 37.4 | Very low | 197 Ų | 197 | 126 Ų | 126 | 97% | 0.97 | 78% | 0.781 | S | S | * | * | -151.8 | 163.4 | 127.1 | -103.4 | -60.4 | 174.8 | 0 | 0 | 108.9 | |||||
| 82 | G | 35.3 | Very low | 37.4 | Very low | 60 Ų | 60 | 129 Ų | 129 | 62% | 0.619 | 78% | 0.779 | S | S | * | * | trans | -114.7 | 173 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y84 | G82-Y84 WeakPolarHBondContact O-CE2 3.44Š| ||
| 83 | G | 43.7 | Very low | 37.4 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | 100.4 | 169.3 | 165 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 84 | Y | 38.4 | Very low | 37.5 | Very low | 223 Ų | 223 | 131.8 Ų | 131.8 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | trans | 62 | 76.4 | 157.8 | -28.2 | -71.3 | 0 | 0 | 0 | 117.6 | G82 | G82-Y84 WeakPolarHBondContact O-CE2 3.44Š| ||
| 85 | C | 36.9 | Very low | 37.7 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | trans | -84.9 | 106.5 | 154 | 42.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 86 | N | 38.8 | Very low | 38.2 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -158.7 | 128.7 | 177.9 | -175.8 | 14.1 | 0 | 0 | 0 | 107.2 | ||||
| 87 | G | 36.8 | Very low | 38.3 | Very low | 58 Ų | 58 | 130.1 Ų | 130.1 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | cis | -162.8 | -137.7 | -0.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 88 | N | 33.3 | Very low | 38.2 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | 66.9 | 143.9 | -179.9 | -90.2 | 8.8 | 0 | 0 | 0 | 115.7 | ||||
| 89 | L | 36.8 | Very low | 38.3 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | cis | -158.1 | 140.1 | -6.6 | -172.3 | 69.9 | 0 | 0 | 0 | 109.2 | ||||
| 90 | G | 34.8 | Very low | 38.7 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 122 | 82.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 91 | N | 40.5 | Very low | 38.7 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | 54 | 142 | 129.7 | -151.4 | 15 | 0 | 0 | 0 | 123.4 | |||||
| 92 | M | 37 | Very low | 38.8 | Very low | 172 Ų | 172 | 135 Ų | 135 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | 62.7 | 126.4 | 171.1 | -60.8 | -64.9 | 179.4 | 0 | 0 | 118 | ||||
| 93 | G | 39.1 | Very low | 39.1 | Very low | 68 Ų | 68 | 144.4 Ų | 144.4 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | cis | -179.8 | 155.8 | -5.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 94 | E | 39.8 | Very low | 38.6 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | 50.1 | 101.4 | 158.3 | -161.5 | 167.7 | -132.4 | 0 | 0 | 120.9 | ||||
| 95 | L | 38.6 | Very low | 38.6 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -135.6 | 138 | 141.4 | -80.8 | 176.7 | 0 | 0 | 0 | 108.6 | ||||
| 96 | P | 50.3 | Low | 38.6 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -76.2 | 146.7 | -175.8 | 30.3 | -35.1 | 0 | 0 | 0 | 112.8 | ||||
| 97 | A | 37.7 | Very low | 38.6 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -72.9 | 140.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q99 | A97-Q99 PolarHBondContact O-N 3.47Š| ||
| 98 | Y | 34.7 | Very low | 39.2 | Very low | 230 Ų | 230 | 138.9 Ų | 138.9 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -79.1 | 112.9 | 172.5 | -165.8 | -86 | 0 | 0 | 0 | 109.5 | ||||
| 99 | Q | 40.1 | Very low | 39.9 | Very low | 179 Ų | 179 | 138.3 Ų | 138.3 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -88.9 | 116 | -175.6 | -170.1 | 171.8 | 12 | 0 | 0 | 111.1 | A97 | A97-Q99 PolarHBondContact O-N 3.47Š| ||
| 100 | D | 43.9 | Very low | 40.2 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | trans | -74 | 146.9 | 167.7 | -153.8 | -35.4 | 0 | 0 | 0 | 110.2 | ||||
| 101 | G | 40.2 | Very low | 40.7 | Very low | 61 Ų | 61 | 142.3 Ų | 142.3 | 63% | 0.629 | 82% | 0.82 | S | S | * | * | trans | -163.3 | 38.7 | -148 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 102 | M | 37.3 | Very low | 40.9 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 80% | 0.803 | 82% | 0.816 | S | S | * | * | trans | 55.6 | 93.1 | 151.2 | -76.1 | 59.1 | 174 | 0 | 0 | 119.1 | G104 | M102-G104 PolarHBondContact O-N 3.39Š| ||
| 103 | R | 43.3 | Very low | 41 | Very low | 257 Ų | 257 | 138.6 Ų | 138.6 | 97% | 0.97 | 81% | 0.807 | S | S | * | * | 27.8 | 83.9 | 127.9 | -163.6 | -173.6 | -155.7 | -89 | 3.4 | 117.7 | |||||
| 104 | G | 32.1 | Very low | 41.4 | Very low | 77 Ų | 77 | 140.1 Ų | 140.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -124.2 | 134.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M102 | M102-G104 PolarHBondContact O-N 3.39Š| ||
| 105 | S | 39.1 | Very low | 41.5 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -100.4 | 115.5 | -175.6 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 106 | A | 36.2 | Very low | 41.9 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | trans | -151 | 117.5 | 165 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 107 | T | 39.5 | Very low | 41.6 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 29.1 | 121.3 | 150.1 | 54.8 | 0 | 0 | 0 | 0 | 120.3 | T109 | T107-T109 PolarHBondContact O-N 3.39Š| ||
| 108 | A | 49.8 | Very low | 42.4 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -64.8 | 119.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 109 | T | 47.7 | Very low | 43 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -156.2 | 99.2 | 153.9 | -70.4 | 0 | 0 | 0 | 0 | 108.1 | T107 | T107-T109 PolarHBondContact O-N 3.39Š| ||
| 110 | G | 42.4 | Very low | 43 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | -128.6 | -3.9 | -163.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | Y112 | G110-Y112 PolarHBondContact O-N 2.8Š| ||
| 111 | W | 45.3 | Very low | 43.2 | Very low | 247 Ų | 247 | 131.9 Ų | 131.9 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -4.8 | -177.5 | -77.3 | 106 | 0 | 0 | 0 | 114.9 | ||
| 112 | Y | 45 | Very low | 43.8 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | 68.6 | 170.4 | -68.5 | -58.9 | 0 | 0 | 0 | 111.2 | G110 A114 R125 | G110-Y112 PolarHBondContact O-N 2.8Å; Y112-A114 PolarHBondContact O-N 3.35Å; Y112-R125 VanDerWaalsContact CE1-CZ 3.5Å; Y112-R125 VanDerWaalsContact CE1-NH1 3.26Å; Y112-R125 VanDerWaalsContact CZ-NH1 3.3Å; Y112-R125 PolarHBondContact OH-NH1 3.01Å |
| 113 | G | 38.8 | Very low | 44.4 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | trans | -66.4 | 113 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N115 | G113-N115 VanDerWaalsContact C-N 3.35Å; G113-N115 PolarHBondContact O-N 3.11Å | ||
| 114 | A | 47.3 | Very low | 44.7 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -82.5 | 73.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y112 | Y112-A114 PolarHBondContact O-N 3.35Š| ||
| 115 | N | 42.6 | Very low | 45.6 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | -100.7 | 116.8 | 169.7 | -81.3 | -39.7 | 0 | 0 | 0 | 110.4 | G113 D117 | G113-N115 VanDerWaalsContact C-N 3.35Å; G113-N115 PolarHBondContact O-N 3.11Å; N115-D117 VanDerWaalsContact C-N 3.31Å; N115-D117 PolarHBondContact O-N 3.26Å | ||
| 116 | P | 46.8 | Very low | 46 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -81.4 | 73.1 | 177.4 | 33.8 | -34.7 | 0 | 0 | 0 | 111.4 | P118 | P116-P118 WeakPolarHBondContact O-CD 3.4Š| ||
| 117 | D | 43.3 | Very low | 46.5 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 48% | 0.481 | 76% | 0.759 | S | S | . | * | trans | -68.1 | 119.2 | 166.1 | -176.3 | -35.7 | 0 | 0 | 0 | 109.1 | N115 R119 | N115-D117 VanDerWaalsContact C-N 3.31Å; N115-D117 PolarHBondContact O-N 3.26Å; D117-R119 PolarHBondContact O-N 3.09Å; D117-R119 VanDerWaalsContact OD1-CB 3.25Å; D117-R119 WeakPolarHBondContact OD1-CB 3.34Å; D117-R119 VanDerWaalsContact OD1-CG 3.26Å; D117-R119 WeakPolarHBondContact OD1-CG 3.16Å; D117-R119 PolarHBondContact OD1-N 2.88Å | ||
| 118 | P | 55 | Low | 46.5 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -7.1 | -174.9 | 28.7 | -36.2 | 0 | 0 | 0 | 114.1 | P116 | P116-P118 WeakPolarHBondContact O-CD 3.4Š|
| 119 | R | 47.4 | Very low | 46 | Very low | 211 Ų | 211 | 135 Ų | 135 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -10.5 | -175.7 | -54.9 | -170.3 | 79.2 | 150.8 | 7.5 | 114.2 | D117 | D117-R119 PolarHBondContact O-N 3.09Å; D117-R119 VanDerWaalsContact OD1-CB 3.25Å; D117-R119 WeakPolarHBondContact OD1-CB 3.34Å; D117-R119 VanDerWaalsContact OD1-CG 3.26Å; D117-R119 WeakPolarHBondContact OD1-CG 3.16Å; D117-R119 PolarHBondContact OD1-N 2.88Å |
| 120 | F | 40.8 | Very low | 46 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -133.7 | 101.8 | 178.5 | -64.1 | -78.7 | 0 | 0 | 0 | 112.2 | T122 | F120-T122 PolarHBondContact O-N 2.95Š|
| 121 | S | 47.1 | Very low | 46 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | -57.2 | 123.2 | 175.4 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | I123 | S121-I123 PolarHBondContact O-N 3.44Š| ||
| 122 | T | 52.4 | Low | 45.7 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -57.4 | 112.4 | 178.5 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | F120 S124 | F120-T122 PolarHBondContact O-N 2.95Å; T122-S124 VanDerWaalsContact C-N 3.34Å; T122-S124 PolarHBondContact O-N 3.24Å | ||
| 123 | I | 49.9 | Very low | 45.9 | Very low | 130 Ų | 130 | 128.2 Ų | 128.2 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | trans | -72.4 | 95.4 | 167.4 | -67.8 | 177.1 | 0 | 0 | 0 | 107.1 | S121 R125 | S121-I123 PolarHBondContact O-N 3.44Å; I123-R125 PolarHBondContact O-N 3.24Å; I123-R125 VanDerWaalsContact O-N 3.12Å | ||
| 124 | S | 50.3 | Low | 46.5 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -57.2 | 114 | 173.1 | -66.8 | 0 | 0 | 0 | 0 | 110 | T122 F126 | T122-S124 VanDerWaalsContact C-N 3.34Å; T122-S124 PolarHBondContact O-N 3.24Å; S124-F126 PolarHBondContact O-N 3.2Å | ||
| 125 | R | 50.1 | Low | 46.5 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | -78.6 | 73.1 | -177.5 | -59.5 | 172.9 | -125.4 | 134 | 2.6 | 108.9 | Y112 I123 M127 | Y112-R125 VanDerWaalsContact CE1-CZ 3.5Å; Y112-R125 VanDerWaalsContact CE1-NH1 3.26Å; Y112-R125 VanDerWaalsContact CZ-NH1 3.3Å; Y112-R125 PolarHBondContact OH-NH1 3.01Å; I123-R125 PolarHBondContact O-N 3.24Å; I123-R125 VanDerWaalsContact O-N 3.12Å; R125-M127 PolarHBondContact O-N 2.9Å | ||
| 126 | F | 48.4 | Very low | 46.5 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | trans | -75.5 | 73.3 | -173.7 | -153.7 | -84.6 | 0 | 0 | 0 | 112.2 | S124 | S124-F126 PolarHBondContact O-N 3.2Š| ||
| 127 | M | 47.3 | Very low | 46.2 | Very low | 186 Ų | 186 | 133 Ų | 133 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -114.5 | 70.6 | 152.8 | -69.4 | -159.5 | 73.3 | 0 | 0 | 107.8 | R125 | R125-M127 PolarHBondContact O-N 2.9Š| ||
| 128 | G | 39.9 | Very low | 46.3 | Very low | 56 Ų | 56 | 137.7 Ų | 137.7 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | trans | -66 | 151.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 129 | S | 37.8 | Very low | 45.7 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -62.4 | 145.8 | -176.3 | -164.7 | 0 | 0 | 0 | 0 | 112.3 | S131 | S129-S131 PolarHBondContact O-N 3.01Š| ||
| 130 | S | 48.9 | Very low | 45.4 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -72.8 | 106.4 | -178.8 | 52.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 131 | S | 42.5 | Very low | 45.9 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -159.3 | 140.8 | 169.7 | -74.8 | 0 | 0 | 0 | 0 | 110.6 | S129 | S129-S131 PolarHBondContact O-N 3.01Š| ||
| 132 | G | 39.2 | Very low | 45.7 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | trans | 103.7 | 122.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 133 | M | 48.5 | Very low | 45.4 | Very low | 184 Ų | 184 | 130.9 Ų | 130.9 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | trans | -68.9 | 149.6 | 178.7 | -37.6 | 76 | 177.6 | 0 | 0 | 112.7 | ||||
| 134 | N | 50.7 | Low | 45.5 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | -177.2 | 138.6 | 107.9 | -165.5 | -74.1 | 0 | 0 | 0 | 111.2 | G136 | N134-G136 PolarHBondContact OD1-N 3.23Š| |||
| 135 | M | 47 | Very low | 45.2 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 96% | 0.961 | 81% | 0.809 | S | S | * | * | trans | -122.8 | 113.8 | 164.2 | -96.5 | -92.6 | -163.1 | 0 | 0 | 107.1 | ||||
| 136 | G | 43.3 | Very low | 44.9 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | 165.4 | 83.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116.8 | N134 | N134-G136 PolarHBondContact OD1-N 3.23Š| ||
| 137 | S | 39.7 | Very low | 44.9 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -163.9 | 134.5 | 132.3 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 138 | M | 45.8 | Very low | 44.9 | Very low | 188 Ų | 188 | 122.3 Ų | 122.3 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -122.6 | 127.7 | 174.1 | 166.1 | -179.9 | 155.6 | 0 | 0 | 108.9 | ||||
| 139 | G | 42.8 | Very low | 45.2 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 90.2 | 126.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 140 | S | 41.9 | Very low | 45.7 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | -151.5 | 131.6 | 129.6 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 141 | L | 50 | Low | 45.6 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -98.3 | 114 | 163.7 | -72.5 | 168.7 | 0 | 0 | 0 | 106.6 | ||||
| 142 | S | 42.8 | Very low | 45.8 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -147 | 129.8 | 167.1 | -75.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 143 | S | 47.7 | Very low | 46.1 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -104.1 | 178.6 | 171.2 | -168.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 144 | L | 50 | Low | 46.3 | Very low | 172 Ų | 172 | 130.7 Ų | 130.7 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | 76.9 | 151.5 | 173 | -150 | 71.4 | 0 | 0 | 0 | 115.5 | ||||
| 145 | A | 44 | Very low | 46.5 | Very low | 88 Ų | 88 | 128.9 Ų | 128.9 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | 124.5 | 53.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 146 | D | 44.2 | Very low | 46.9 | Very low | 154 Ų | 154 | 124.6 Ų | 124.6 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 63.4 | -164.1 | 139.8 | -144.2 | -101.3 | 0 | 0 | 0 | 120.3 | ||||
| 147 | V | 49.4 | Very low | 47.7 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -126 | 148.3 | -137.6 | 93.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 148 | G | 47.4 | Very low | 48.8 | Very low | 60 Ų | 60 | 126 Ų | 126 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | trans | 122 | 117.7 | 145.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 149 | K | 46.2 | Very low | 50 | Low | 219 Ų | 219 | 128.4 Ų | 128.4 | 95% | 0.952 | 79% | 0.794 | S | S | * | * | trans | 63.8 | 133.1 | 149.3 | -59.3 | 169.5 | -178.9 | 170.9 | 0 | 118.4 | ||||
| 150 | G | 48.5 | Very low | 51.5 | Low | 81 Ų | 81 | 133.3 Ų | 133.3 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 110.6 | -6.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | G152 | G150-G152 PolarHBondContact O-N 2.71Š| ||
| 151 | M | 46.9 | Very low | 53 | Low | 193 Ų | 193 | 137.8 Ų | 137.8 | 95% | 0.951 | 80% | 0.797 | S | S | * | * | trans | -78 | 95.2 | 171.4 | -159.9 | 165 | -72.9 | 0 | 0 | 110 | S153 | M151-S153 PolarHBondContact O-N 3.44Š| ||
| 152 | G | 45.5 | Very low | 54.5 | Low | 59 Ų | 59 | 140.6 Ų | 140.6 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -56.7 | 136.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G150 L154 | G150-G152 PolarHBondContact O-N 2.71Å; G152-L154 PolarHBondContact O-N 2.7Å | ||
| 153 | S | 46.5 | Very low | 56.7 | Low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -54.1 | 111.9 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 110 | M151 S155 | M151-S153 PolarHBondContact O-N 3.44Å; S153-S155 VanDerWaalsContact C-N 3.28Å; S153-S155 PolarHBondContact O-N 3.33Å | ||
| 154 | L | 52.8 | Low | 58.6 | Low | 171 Ų | 171 | 143.7 Ų | 143.7 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -62.1 | 92.1 | 171.1 | -68.6 | 174.7 | 0 | 0 | 0 | 108.4 | G152 S156 | G152-L154 PolarHBondContact O-N 2.7Å; L154-S156 PolarHBondContact O-N 3.39Å | ||
| 155 | S | 52.9 | Low | 60.7 | Low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 125.3 | -168.5 | 55.8 | 0 | 0 | 0 | 0 | 110 | S153 T157 | S153-S155 VanDerWaalsContact C-N 3.28Å; S153-S155 PolarHBondContact O-N 3.33Å; S155-T157 PolarHBondContact O-N 3.43Å; S155-T157 VanDerWaalsContact O-N 3.15Å |
| 156 | S | 56.8 | Low | 63.3 | Low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 119.6 | -163.2 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | L154 | L154-S156 PolarHBondContact O-N 3.39Š|
| 157 | T | 60.3 | Low | 65.8 | Low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 127.9 | 158.5 | 46.9 | 0 | 0 | 0 | 0 | 107.5 | S155 R159 | S155-T157 PolarHBondContact O-N 3.43Å; S155-T157 VanDerWaalsContact O-N 3.15Å; T157-R159 PolarHBondContact O-N 3.17Å |
| 158 | P | 61.7 | Low | 68.2 | Low | 102 Ų | 102 | 138 Ų | 138 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | trans | -65.6 | 99.2 | -168.5 | 22 | -32.3 | 0 | 0 | 0 | 110.2 | R160 | P158-R160 PolarHBondContact O-N 3.47Š| ||
| 159 | R | 71 | Confident | 70.6 | Confident | 237 Ų | 237 | 138.5 Ų | 138.5 | 89% | 0.894 | 73% | 0.734 | S | S | * | * | trans | -60.9 | 103.7 | -168.9 | -132.1 | -179.1 | -170.8 | -164.5 | 2.3 | 109.4 | T157 K161 | T157-R159 PolarHBondContact O-N 3.17Å; R159-K161 PolarHBondContact O-N 3.25Å | ||
| 160 | R | 75.2 | Confident | 73.1 | Confident | 174 Ų | 174 | 129.8 Ų | 129.8 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | trans | -48 | 111.9 | -174 | -172 | 179.2 | -70.8 | -162.6 | -2.3 | 109.4 | P158 R162 W354 | P158-R160 PolarHBondContact O-N 3.47Å; R160-R162 PolarHBondContact O-N 3.4Å; R160-W354 PolarHBondContact NH1-O 3.12Å; R160-W354 PolarHBondContact NH1-OXT 3.44Å | ||
| 161 | K | 72.3 | Confident | 75.4 | Confident | 200 Ų | 200 | 127.5 Ų | 127.5 | 87% | 0.87 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 122.9 | -168 | -91 | 174.1 | 173.3 | 170.6 | 0 | 110.8 | R159 R163 | R159-K161 PolarHBondContact O-N 3.25Å; K161-R163 PolarHBondContact O-N 3.27Å |
| 162 | R | 82.9 | Confident | 77.9 | Confident | 234 Ų | 234 | 125.1 Ų | 125.1 | 88% | 0.883 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125.3 | -175.8 | -172.8 | 174.2 | 76.3 | 165.8 | 1.5 | 109.5 | R160 V164 | R160-R162 PolarHBondContact O-N 3.4Å; R162-V164 PolarHBondContact O-N 3.4Å |
| 163 | R | 88.3 | Confident | 80.4 | Confident | 170 Ų | 170 | 124.2 Ų | 124.2 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 122.9 | 175.4 | -74.1 | 177.7 | 167.4 | 158.5 | -3.9 | 109.3 | K161 | K161-R163 PolarHBondContact O-N 3.27Š|
| 164 | V | 88.3 | Confident | 82.9 | Confident | 125 Ų | 125 | 118.7 Ų | 118.7 | 76% | 0.758 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -84 | 131 | 169.9 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | R162 | R162-V164 PolarHBondContact O-N 3.4Š|
| 165 | L | 94.3 | Very high | 85.1 | Confident | 151 Ų | 151 | 113.8 Ų | 113.8 | 79% | 0.791 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 149.7 | 171.9 | -59.3 | 178.8 | 0 | 0 | 0 | 109.1 | ||
| 166 | F | 97.4 | Very high | 87.2 | Confident | 60 Ų | 60 | 114.6 Ų | 114.6 | 26% | 0.263 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 148.3 | 171.1 | -55.9 | -37.7 | 0 | 0 | 0 | 110.2 | Q170 V171 L174 L198 Q202 W206 | F166-Q170 HydrophobicContact CB-CB 4.14Å; F166-V171 HydrophobicContact CB-CG2 4.04Å; F166-L174 HydrophobicContact CD2-CD1 4.23Å; F166-L198 HydrophobicContact CD1-CD1 3.93Å; F166-L198 HydrophobicContact CD1-CD2 3.67Å; F166-L198 HydrophobicContact CD1-CG 4.5Å; F166-L198 HydrophobicContact CD2-CD1 4.39Å; F166-L198 HydrophobicContact CE1-CD1 3.92Å; F166-L198 HydrophobicContact CE1-CD2 3.63Å; F166-L198 HydrophobicContact CE1-CG 4.46Å; F166-L198 HydrophobicContact CE2-CD1 4.37Å; F166-L198 HydrophobicContact CG-CD1 4.19Å; F166-L198 HydrophobicContact CZ-CD1 4.16Å; F166-Q202 HydrophobicContact CE1-CB 4.34Å; F166-Q202 HydrophobicContact CE1-CG 4.27Å; F166-Q202 HydrophobicContact CZ-CB 3.95Å; F166-Q202 HydrophobicContact CZ-CG 4.15Å; F166-W206 AromaticContact CD2-CD1 3.87Å; F166-W206 HydrophobicContact CE2-CB 4.28Å; F166-W206 AromaticContact CE2-CD1 3.77Å; F166-W206 HydrophobicContact CE2-CG 4.36Å |
| 167 | S | 98.1 | Very high | 89.2 | Confident | 58 Ų | 58 | 113 Ų | 113 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 159 | 175.1 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | A169 Q170 V171 | S167-A169 PolarHBondContact O-N 3.48Å; S167-Q170 WeakPolarHBondContact O-CB 3.35Å; S167-Q170 PolarHBondContact O-N 2.98Å; S167-Q170 VanDerWaalsContact O-N 3.11Å; S167-Q170 VanDerWaalsContact OG-CG 3.32Å; S167-Q170 WeakPolarHBondContact OG-CG 3.29Å; S167-Q170 PolarHBondContact OG-N 3.12Å; S167-Q170 PolarHBondContact OG-OE1 3.45Å; S167-Q170 VanDerWaalsContact OG-OE1 3.09Å; S167-V171 WeakPolarHBondContact O-CG2 3.33Å; S167-V171 PolarHBondContact O-N 3.18Å |
| 168 | Q | 98 | Very high | 91 | Very high | 155 Ų | 155 | 107.6 Ų | 107.6 | 72% | 0.724 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.5 | -33.8 | 179.9 | -171.5 | 62.1 | 11.9 | 0 | 0 | 112.6 | V171 Y172 | Q168-V171 PolarHBondContact O-N 3.23Å; Q168-Y172 WeakPolarHBondContact O-CB 3.42Å; Q168-Y172 PolarHBondContact O-N 3.4Å |
| 169 | A | 97.9 | Very high | 92.7 | Very high | 71 Ų | 71 | 110.1 Ų | 110.1 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.4 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S167 Y172 E173 | S167-A169 PolarHBondContact O-N 3.48Å; A169-Y172 PolarHBondContact O-N 3.42Å; A169-E173 PolarHBondContact O-N 2.85Å; A169-E173 VanDerWaalsContact O-N 3.08Å |
| 170 | Q | 98.4 | Very high | 94 | Very high | 36 Ų | 36 | 104.6 Ų | 104.6 | 17% | 0.168 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 173.7 | -74.3 | 167.9 | -35.1 | 0 | 0 | 111.4 | F166 S167 L174 I196 | F166-Q170 HydrophobicContact CB-CB 4.14Å; S167-Q170 WeakPolarHBondContact O-CB 3.35Å; S167-Q170 PolarHBondContact O-N 2.98Å; S167-Q170 VanDerWaalsContact O-N 3.11Å; S167-Q170 VanDerWaalsContact OG-CG 3.32Å; S167-Q170 WeakPolarHBondContact OG-CG 3.29Å; S167-Q170 PolarHBondContact OG-N 3.12Å; S167-Q170 PolarHBondContact OG-OE1 3.45Å; S167-Q170 VanDerWaalsContact OG-OE1 3.09Å; Q170-L174 WeakPolarHBondContact O-CB 3.48Å; Q170-L174 WeakPolarHBondContact O-CD1 3.44Å; Q170-L174 WeakPolarHBondContact O-CG 3Å; Q170-L174 PolarHBondContact O-N 3.08Å; Q170-I196 HydrophobicContact CG-CB 4.25Å; Q170-I196 WeakPolarHBondContact CG-O 3.21Å; Q170-I196 PolarHBondContact NE2-O 2.73Å |
| 171 | V | 98.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 98.9 Ų | 98.9 | 20% | 0.2 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | F166 S167 Q168 L174 E175 | F166-V171 HydrophobicContact CB-CG2 4.04Å; S167-V171 WeakPolarHBondContact O-CG2 3.33Å; S167-V171 PolarHBondContact O-N 3.18Å; Q168-V171 PolarHBondContact O-N 3.23Å; V171-L174 PolarHBondContact O-N 3.31Å; V171-E175 HydrophobicContact CG1-CG 4.43Å; V171-E175 WeakPolarHBondContact O-CG 3.44Å; V171-E175 PolarHBondContact O-N 2.9Å |
| 172 | Y | 98.4 | Very high | 96.3 | Very high | 143 Ų | 143 | 93.5 Ų | 93.5 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59 | -50.7 | 177.3 | 174 | -90.6 | 0 | 0 | 0 | 112.2 | Q168 A169 E175 R176 | Q168-Y172 WeakPolarHBondContact O-CB 3.42Å; Q168-Y172 PolarHBondContact O-N 3.4Å; A169-Y172 PolarHBondContact O-N 3.42Å; Y172-E175 PolarHBondContact O-N 2.74Å; Y172-R176 WeakPolarHBondContact O-CB 3.36Å; Y172-R176 PolarHBondContact O-N 2.9Å |
| 173 | E | 98.5 | Very high | 97 | Very high | 41 Ų | 41 | 89.9 Ų | 89.9 | 19% | 0.192 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.8 | -36.5 | 179.7 | -79.1 | -58.5 | 134.4 | 0 | 0 | 112.6 | A169 E175 R176 R177 I196 | A169-E173 PolarHBondContact O-N 2.85Å; A169-E173 VanDerWaalsContact O-N 3.08Å; E173-E175 PolarHBondContact O-N 3.36Å; E173-R176 VanDerWaalsContact CD-NH1 3.32Å; E173-R176 PolarHBondContact O-N 3.43Å; E173-R176 VanDerWaalsContact OE1-CD 3.22Å; E173-R176 WeakPolarHBondContact OE1-CD 3.37Å; E173-R176 IonicContact OE1-CZ 3.1Å; E173-R176 IonicContact OE1-NE 3.49Å; E173-R176 IonicContact OE1-NH1 3.43Å; E173-R176 PolarHBondContact OE1-NH1 3.42Å; E173-R176 WeakPolarHBondContact OE2-CD 3.42Å; E173-R176 IonicContact OE2-CZ 2.67Å; E173-R176 IonicContact OE2-NH1 2.74Å; E173-R176 PolarHBondContact OE2-NH1 2.99Å; E173-R176 VanDerWaalsContact OE2-NH1 3.17Å; E173-R177 PolarHBondContact O-N 3.05Å; E173-I196 HydrophobicContact CB-CG2 3.8Å; E173-I196 HydrophobicContact CG-CG2 4.34Å |
| 174 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 171.1 | -73.3 | 166.4 | 0 | 0 | 0 | 111.6 | F166 Q170 V171 F178 L192 I196 L198 V203 W206 F207 | F166-L174 HydrophobicContact CD2-CD1 4.23Å; Q170-L174 WeakPolarHBondContact O-CB 3.48Å; Q170-L174 WeakPolarHBondContact O-CD1 3.44Å; Q170-L174 WeakPolarHBondContact O-CG 3Å; Q170-L174 PolarHBondContact O-N 3.08Å; V171-L174 PolarHBondContact O-N 3.31Å; L174-F178 WeakPolarHBondContact O-CB 3.34Å; L174-F178 PolarHBondContact O-N 3.1Å; L174-L192 HydrophobicContact CD2-CD2 4.13Å; L174-I196 HydrophobicContact CD1-CD1 4.23Å; L174-I196 HydrophobicContact CD2-CD1 3.69Å; L174-I196 HydrophobicContact CG-CD1 3.7Å; L174-L198 HydrophobicContact CD1-CD1 4.15Å; L174-V203 HydrophobicContact CD2-CG1 4.07Å; L174-V203 HydrophobicContact CD2-CG2 4.35Å; L174-W206 VanDerWaalsContact C-CH2 3.45Å; L174-W206 HydrophobicContact CB-CD2 3.93Å; L174-W206 HydrophobicContact CB-CE3 3.9Å; L174-W206 HydrophobicContact CB-CH2 3.63Å; L174-W206 HydrophobicContact CB-CZ2 3.67Å; L174-W206 HydrophobicContact CB-CZ3 3.77Å; L174-W206 HydrophobicContact CD1-CB 4.5Å; L174-W206 HydrophobicContact CD1-CD2 3.92Å; L174-W206 HydrophobicContact CD1-CG 3.88Å; L174-W206 HydrophobicContact CD2-CD2 4.28Å; L174-W206 HydrophobicContact CD2-CE3 4.12Å; L174-W206 HydrophobicContact CG-CD2 4.27Å; L174-W206 HydrophobicContact CG-CE3 4.41Å; L174-W206 WeakPolarHBondContact O-CH2 3.11Å; L174-W206 WeakPolarHBondContact O-CZ3 3.47Å; L174-F207 HydrophobicContact CD2-CD2 4.34Å; L174-F207 HydrophobicContact CD2-CE2 3.88Å |
| 175 | E | 98.3 | Very high | 98 | Very high | 67 Ų | 67 | 79.1 Ų | 79.1 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.8 | -34.8 | 176.1 | -70.4 | -161.6 | 160.8 | 0 | 0 | 113.1 | V171 Y172 E173 F178 K179 W206 H210 K213 | V171-E175 HydrophobicContact CG1-CG 4.43Å; V171-E175 WeakPolarHBondContact O-CG 3.44Å; V171-E175 PolarHBondContact O-N 2.9Å; Y172-E175 PolarHBondContact O-N 2.74Å; E173-E175 PolarHBondContact O-N 3.36Å; E175-F178 PolarHBondContact O-N 2.79Å; E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.32Å; E175-K179 PolarHBondContact O-N 3.34Å; E175-W206 HydrophobicContact CB-CH2 4.41Å; E175-W206 HydrophobicContact CG-CH2 3.64Å; E175-W206 HydrophobicContact CG-CZ2 3.64Å; E175-H210 IonicContact OE1-CE1 2.78Å; E175-H210 PolarHBondContact OE1-CE1 3.23Å; E175-K213 IonicContact OE1-NZ 3.32Å |
| 176 | R | 98.5 | Very high | 98.2 | Very high | 122 Ų | 122 | 74.2 Ų | 74.2 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -51.3 | 174.1 | -176.3 | -175.7 | 175.4 | -155.9 | -0.4 | 111 | Y172 E173 K179 Q180 | Y172-R176 WeakPolarHBondContact O-CB 3.36Å; Y172-R176 PolarHBondContact O-N 2.9Å; E173-R176 VanDerWaalsContact CD-NH1 3.32Å; E173-R176 PolarHBondContact O-N 3.43Å; E173-R176 VanDerWaalsContact OE1-CD 3.22Å; E173-R176 WeakPolarHBondContact OE1-CD 3.37Å; E173-R176 IonicContact OE1-CZ 3.1Å; E173-R176 IonicContact OE1-NE 3.49Å; E173-R176 IonicContact OE1-NH1 3.43Å; E173-R176 PolarHBondContact OE1-NH1 3.42Å; E173-R176 WeakPolarHBondContact OE2-CD 3.42Å; E173-R176 IonicContact OE2-CZ 2.67Å; E173-R176 IonicContact OE2-NH1 2.74Å; E173-R176 PolarHBondContact OE2-NH1 2.99Å; E173-R176 VanDerWaalsContact OE2-NH1 3.17Å; R176-K179 WeakPolarHBondContact O-CB 3.5Å; R176-K179 PolarHBondContact O-N 3.36Å; R176-Q180 PolarHBondContact O-N 3Å |
| 177 | R | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 75.5 Ų | 75.5 | 28% | 0.275 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68 | -36 | 176.2 | -172 | 57.9 | 175.6 | -170.3 | -0.4 | 111.8 | E173 K179 Q180 Q181 L184 E188 L192 F207 | E173-R177 PolarHBondContact O-N 3.05Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-K179 PolarHBondContact O-N 3.28Å; R177-Q180 WeakPolarHBondContact O-CB 3.5Å; R177-Q180 PolarHBondContact O-N 2.92Å; R177-Q181 PolarHBondContact O-N 3.29Å; R177-L184 HydrophobicContact CG-CD1 4.38Å; R177-L184 HydrophobicContact CG-CD2 4.01Å; R177-E188 IonicContact CZ-OE1 3.68Å; R177-E188 IonicContact NH2-OE1 2.65Å; R177-E188 PolarHBondContact NH2-OE1 2.78Å; R177-L192 HydrophobicContact CB-CD1 4.46Å; R177-L192 HydrophobicContact CB-CD2 4.1Å; R177-L192 HydrophobicContact CG-CD2 4.06Å; R177-F207 HydrophobicContact CB-CZ 4.39Å; R177-F207 HydrophobicContact CG-CZ 4.31Å |
| 178 | F | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 75 Ų | 75 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.8 | -30 | 174.7 | -174 | -99.4 | 0 | 0 | 0 | 113.5 | L174 E175 K182 W206 F207 H210 R211 M214 | L174-F178 WeakPolarHBondContact O-CB 3.34Å; L174-F178 PolarHBondContact O-N 3.1Å; E175-F178 PolarHBondContact O-N 2.79Å; F178-K182 HydrophobicContact CD1-CD 4.24Å; F178-K182 HydrophobicContact CD2-CD 4.37Å; F178-K182 HydrophobicContact CE1-CD 3.73Å; F178-K182 HydrophobicContact CE2-CB 4.05Å; F178-K182 HydrophobicContact CE2-CD 3.89Å; F178-K182 HydrophobicContact CZ-CB 4.35Å; F178-K182 HydrophobicContact CZ-CD 3.55Å; F178-K182 HydrophobicContact CZ-CG 4.48Å; F178-K182 WeakPolarHBondContact O-CD 3.49Å; F178-K182 WeakPolarHBondContact O-CE 3.27Å; F178-K182 PolarHBondContact O-NZ 3.11Å; F178-W206 HydrophobicContact CB-CH2 4.21Å; F178-W206 HydrophobicContact CB-CZ3 3.93Å; F178-W206 HydrophobicContact CG-CZ3 4.28Å; F178-F207 HydrophobicContact CB-CE1 4.09Å; F178-F207 HydrophobicContact CB-CZ 4.11Å; F178-F207 AromaticContact CD2-CD1 3.74Å; F178-F207 HydrophobicContact CD2-CD1 3.74Å; F178-F207 AromaticContact CD2-CE1 3.72Å; F178-F207 HydrophobicContact CD2-CE1 3.72Å; F178-F207 HydrophobicContact CD2-CZ 4.47Å; F178-F207 HydrophobicContact CE2-CD1 4.42Å; F178-F207 HydrophobicContact CG-CE1 4.42Å; F178-H210 AromaticContact CD1-CD2 3.56Å; F178-H210 AromaticContact CD1-NE2 3.65Å; F178-H210 AromaticContact CE1-CD2 3.18Å; F178-H210 WeakPolarHBondContact CE1-CD2 3.4Å; F178-H210 AromaticContact CE1-CG 3.95Å; F178-H210 AromaticContact CE1-NE2 3.57Å; F178-H210 HydrophobicContact CE2-CB 4.4Å; F178-H210 HydrophobicContact CZ-CB 4.42Å; F178-H210 AromaticContact CZ-CD2 3.63Å; F178-R211 HydrophobicContact CE2-CG 3.82Å; F178-R211 HydrophobicContact CZ-CG 4.05Å; F178-M214 HydrophobicContact CE1-SD 3.76Å; F178-M214 HydrophobicContact CZ-SD 4.31Å |
| 179 | K | 97.9 | Very high | 98.2 | Very high | 155 Ų | 155 | 70.3 Ų | 70.3 | 67% | 0.674 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61 | -48 | 171.4 | -78.9 | 166.8 | -174.6 | 175.9 | 0 | 110.6 | E175 R176 R177 K182 | E175-K179 VanDerWaalsContact O-CG 3.27Å; E175-K179 WeakPolarHBondContact O-CG 3.32Å; E175-K179 PolarHBondContact O-N 3.34Å; R176-K179 WeakPolarHBondContact O-CB 3.5Å; R176-K179 PolarHBondContact O-N 3.36Å; R177-K179 VanDerWaalsContact C-N 3.33Å; R177-K179 PolarHBondContact O-N 3.28Å; K179-K182 PolarHBondContact O-NZ 3.11Å; K179-K182 VanDerWaalsContact O-NZ 3.15Å |
| 180 | Q | 97.9 | Very high | 98.3 | Very high | 122 Ų | 122 | 71.9 Ų | 71.9 | 57% | 0.57 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.4 | -47.2 | 175.6 | -61.5 | 169.7 | -6 | 0 | 0 | 112.3 | R176 R177 | R176-Q180 PolarHBondContact O-N 3Å; R177-Q180 WeakPolarHBondContact O-CB 3.5Å; R177-Q180 PolarHBondContact O-N 2.92Å |
| 181 | Q | 97.8 | Very high | 98.3 | Very high | 53 Ų | 53 | 76.1 Ų | 76.1 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | trans | -149.6 | 120.6 | -165.4 | -174.2 | 179.1 | -14.4 | 0 | 0 | 111.7 | R177 Y183 L184 E188 | R177-Q181 PolarHBondContact O-N 3.29Å; Q181-Y183 VanDerWaalsContact C-N 3.34Å; Q181-Y183 WeakPolarHBondContact CG-O 3.4Å; Q181-Y183 PolarHBondContact NE2-O 3.19Å; Q181-Y183 PolarHBondContact O-N 3.22Å; Q181-L184 HydrophobicContact CB-CD2 4.47Å; Q181-L184 HydrophobicContact CG-CD2 4.23Å; Q181-E188 VanDerWaalsContact CD-OE1 3.24Å; Q181-E188 VanDerWaalsContact NE2-CD 3.31Å; Q181-E188 PolarHBondContact NE2-OE1 3.35Å; Q181-E188 PolarHBondContact NE2-OE2 3.08Å; Q181-E188 PolarHBondContact OE1-OE1 3.46Å | ||
| 182 | K | 97.7 | Very high | 98.3 | Very high | 87 Ų | 87 | 75 Ų | 75 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -78.4 | -16.7 | -174.3 | -48.5 | -59.6 | 165 | -157 | 0 | 114.1 | F178 K179 R211 | F178-K182 HydrophobicContact CD1-CD 4.24Å; F178-K182 HydrophobicContact CD2-CD 4.37Å; F178-K182 HydrophobicContact CE1-CD 3.73Å; F178-K182 HydrophobicContact CE2-CB 4.05Å; F178-K182 HydrophobicContact CE2-CD 3.89Å; F178-K182 HydrophobicContact CZ-CB 4.35Å; F178-K182 HydrophobicContact CZ-CD 3.55Å; F178-K182 HydrophobicContact CZ-CG 4.48Å; F178-K182 WeakPolarHBondContact O-CD 3.49Å; F178-K182 WeakPolarHBondContact O-CE 3.27Å; F178-K182 PolarHBondContact O-NZ 3.11Å; K179-K182 PolarHBondContact O-NZ 3.11Å; K179-K182 VanDerWaalsContact O-NZ 3.15Å; K182-R211 WeakPolarHBondContact O-CD 3.27Å |
| 183 | Y | 98.2 | Very high | 98.3 | Very high | 158 Ų | 158 | 68.3 Ų | 68.3 | 62% | 0.62 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -138.6 | 115.6 | -174.7 | -64 | -99.3 | 0 | 0 | 0 | 109.7 | Q181 | Q181-Y183 VanDerWaalsContact C-N 3.34Å; Q181-Y183 WeakPolarHBondContact CG-O 3.4Å; Q181-Y183 PolarHBondContact NE2-O 3.19Å; Q181-Y183 PolarHBondContact O-N 3.22Å |
| 184 | L | 98.2 | Very high | 98.3 | Very high | 18 Ų | 18 | 70.3 Ų | 70.3 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | trans | -95.1 | 135.5 | 175.1 | -60.4 | -179.2 | 0 | 0 | 0 | 111.2 | R177 Q181 E188 R189 L192 V203 F207 | R177-L184 HydrophobicContact CG-CD1 4.38Å; R177-L184 HydrophobicContact CG-CD2 4.01Å; Q181-L184 HydrophobicContact CB-CD2 4.47Å; Q181-L184 HydrophobicContact CG-CD2 4.23Å; L184-E188 HydrophobicContact CB-CB 4.35Å; L184-E188 HydrophobicContact CD2-CB 4.24Å; L184-R189 HydrophobicContact CB-CB 4.35Å; L184-R189 PolarHBondContact O-NH2 3.13Å; L184-L192 HydrophobicContact CD1-CD2 3.77Å; L184-V203 HydrophobicContact CD1-CG1 4.27Å; L184-F207 HydrophobicContact CD1-CD1 4.37Å; L184-F207 HydrophobicContact CD1-CD2 4.33Å; L184-F207 HydrophobicContact CD1-CE1 3.83Å; L184-F207 HydrophobicContact CD1-CE2 3.8Å; L184-F207 HydrophobicContact CD1-CZ 3.53Å; L184-F207 HydrophobicContact CD2-CE1 4.3Å; L184-F207 HydrophobicContact CG-CD1 4.11Å; L184-F207 HydrophobicContact CG-CE1 3.64Å; L184-F207 HydrophobicContact CG-CZ 3.89Å | ||
| 185 | S | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | trans | -62.9 | -175.5 | 166.3 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | E188 R189 | S185-E188 VanDerWaalsContact CB-OE2 3.27Å; S185-E188 WeakPolarHBondContact CB-OE2 3.16Å; S185-E188 PolarHBondContact N-OE2 3.07Å; S185-E188 VanDerWaalsContact OG-CG 3.27Å; S185-E188 WeakPolarHBondContact OG-CG 3.48Å; S185-E188 PolarHBondContact OG-OE2 3.22Å; S185-R189 WeakPolarHBondContact O-CB 3.5Å; S185-R189 PolarHBondContact O-NH2 3.27Å | ||
| 186 | A | 98.2 | Very high | 98.2 | Very high | 48 Ų | 48 | 72.7 Ų | 72.7 | 40% | 0.397 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.8 | -59.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E188 R189 E190 | A186-E188 PolarHBondContact O-N 3.32Å; A186-R189 VanDerWaalsContact O-CB 3.32Å; A186-R189 WeakPolarHBondContact O-CB 3.38Å; A186-R189 PolarHBondContact O-N 3.24Å; A186-E190 PolarHBondContact O-N 3.3Å; A186-E190 VanDerWaalsContact O-N 3.12Å |
| 187 | P | 98.3 | Very high | 98.2 | Very high | 86 Ų | 86 | 74.8 Ų | 74.8 | 56% | 0.558 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.5 | -37.3 | -173.3 | 24.3 | -35.3 | 0 | 0 | 0 | 113.4 | R189 E190 H191 | P187-R189 PolarHBondContact O-N 3.05Å; P187-E190 PolarHBondContact O-N 3.48Å; P187-H191 WeakPolarHBondContact O-CB 3.47Å; P187-H191 PolarHBondContact O-N 3.48Å |
| 188 | E | 98.3 | Very high | 98.2 | Very high | 49 Ų | 49 | 72.4 Ų | 72.4 | 23% | 0.229 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -32.2 | 175.5 | -63.9 | 174.5 | 94.4 | 0 | 0 | 112.8 | R177 Q181 L184 S185 A186 L192 | R177-E188 IonicContact CZ-OE1 3.68Å; R177-E188 IonicContact NH2-OE1 2.65Å; R177-E188 PolarHBondContact NH2-OE1 2.78Å; Q181-E188 VanDerWaalsContact CD-OE1 3.24Å; Q181-E188 VanDerWaalsContact NE2-CD 3.31Å; Q181-E188 PolarHBondContact NE2-OE1 3.35Å; Q181-E188 PolarHBondContact NE2-OE2 3.08Å; Q181-E188 PolarHBondContact OE1-OE1 3.46Å; L184-E188 HydrophobicContact CB-CB 4.35Å; L184-E188 HydrophobicContact CD2-CB 4.24Å; S185-E188 VanDerWaalsContact CB-OE2 3.27Å; S185-E188 WeakPolarHBondContact CB-OE2 3.16Å; S185-E188 PolarHBondContact N-OE2 3.07Å; S185-E188 VanDerWaalsContact OG-CG 3.27Å; S185-E188 WeakPolarHBondContact OG-CG 3.48Å; S185-E188 PolarHBondContact OG-OE2 3.22Å; A186-E188 PolarHBondContact O-N 3.32Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.17Å |
| 189 | R | 98.5 | Very high | 98.2 | Very high | 55 Ų | 55 | 75.3 Ų | 75.3 | 21% | 0.208 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -76.6 | -34.6 | 179.5 | -163.2 | -172 | -47.3 | 121.2 | 9 | 111.2 | L184 S185 A186 P187 A193 P200 V203 | L184-R189 HydrophobicContact CB-CB 4.35Å; L184-R189 PolarHBondContact O-NH2 3.13Å; S185-R189 WeakPolarHBondContact O-CB 3.5Å; S185-R189 PolarHBondContact O-NH2 3.27Å; A186-R189 VanDerWaalsContact O-CB 3.32Å; A186-R189 WeakPolarHBondContact O-CB 3.38Å; A186-R189 PolarHBondContact O-N 3.24Å; P187-R189 PolarHBondContact O-N 3.05Å; R189-A193 WeakPolarHBondContact O-CB 3.44Å; R189-A193 PolarHBondContact O-N 3.11Å; R189-P200 WeakPolarHBondContact CD-O 3.31Å; R189-V203 HydrophobicContact CG-CB 3.79Å; R189-V203 HydrophobicContact CG-CG1 3.62Å |
| 190 | E | 98.5 | Very high | 98.2 | Very high | 104 Ų | 104 | 70.2 Ų | 70.2 | 49% | 0.486 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | 174.5 | -71.4 | 159.6 | 172.2 | 0 | 0 | 111.2 | A186 P187 A193 S194 P200 | A186-E190 PolarHBondContact O-N 3.3Å; A186-E190 VanDerWaalsContact O-N 3.12Å; P187-E190 PolarHBondContact O-N 3.48Å; E190-A193 PolarHBondContact O-N 3.37Å; E190-S194 WeakPolarHBondContact O-CB 3.18Å; E190-S194 PolarHBondContact O-N 3.42Å; E190-S194 PolarHBondContact O-OG 3.4Å; E190-P200 HydrophobicContact CG-CB 4.22Å; E190-P200 HydrophobicContact CG-CG 3.86Å |
| 191 | H | 98.5 | Very high | 98.2 | Very high | 126 Ų | 126 | 68.6 Ų | 68.6 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60 | -53.6 | 171.7 | -177 | 67.6 | 0 | 0 | 0 | 111.8 | P187 A193 S194 M195 | P187-H191 WeakPolarHBondContact O-CB 3.47Å; P187-H191 PolarHBondContact O-N 3.48Å; H191-A193 PolarHBondContact O-N 3.47Å; H191-S194 WeakPolarHBondContact O-CB 3.39Å; H191-S194 PolarHBondContact O-N 3.48Å; H191-M195 PolarHBondContact NE2-SD 3.26Å; H191-M195 WeakPolarHBondContact O-CG 3.28Å; H191-M195 PolarHBondContact O-N 2.86Å |
| 192 | L | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 69.3 Ų | 69.3 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 178.6 | -179.1 | 65.1 | 0 | 0 | 0 | 112.3 | L174 R177 L184 E188 S194 M195 I196 V203 F207 | L174-L192 HydrophobicContact CD2-CD2 4.13Å; R177-L192 HydrophobicContact CB-CD1 4.46Å; R177-L192 HydrophobicContact CB-CD2 4.1Å; R177-L192 HydrophobicContact CG-CD2 4.06Å; L184-L192 HydrophobicContact CD1-CD2 3.77Å; E188-L192 WeakPolarHBondContact O-CB 3.48Å; E188-L192 PolarHBondContact O-N 3.17Å; L192-S194 VanDerWaalsContact C-N 3.3Å; L192-S194 PolarHBondContact O-N 2.98Å; L192-M195 PolarHBondContact O-N 3.43Å; L192-I196 HydrophobicContact CD1-CD1 4.45Å; L192-I196 HydrophobicContact CD1-CG2 4.18Å; L192-I196 HydrophobicContact CG-CD1 4.2Å; L192-I196 WeakPolarHBondContact O-CG1 3.47Å; L192-I196 PolarHBondContact O-N 3.15Å; L192-V203 HydrophobicContact CD2-CG1 3.95Å; L192-F207 HydrophobicContact CD2-CE2 3.96Å; L192-F207 HydrophobicContact CD2-CZ 4.26Å |
| 193 | A | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R189 E190 H191 I196 H197 L198 P200 V203 | R189-A193 WeakPolarHBondContact O-CB 3.44Å; R189-A193 PolarHBondContact O-N 3.11Å; E190-A193 PolarHBondContact O-N 3.37Å; H191-A193 PolarHBondContact O-N 3.47Å; A193-I196 PolarHBondContact O-N 3.18Å; A193-H197 PolarHBondContact O-N 3.01Å; A193-H197 VanDerWaalsContact O-N 3.11Å; A193-L198 CarbonylContact C-O 3.41Å; A193-L198 VanDerWaalsContact CB-O 3.31Å; A193-L198 WeakPolarHBondContact CB-O 3.4Å; A193-L198 PolarHBondContact O-N 2.93Å; A193-L198 VanDerWaalsContact O-O 3.06Å; A193-P200 HydrophobicContact CB-CB 4.44Å; A193-P200 HydrophobicContact CB-CG 3.97Å; A193-V203 HydrophobicContact CB-CG2 3.93Å |
| 194 | S | 98.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 59% | 0.587 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63 | -45.9 | 177.3 | -55.6 | 0 | 0 | 0 | 0 | 112 | E190 H191 L192 I196 H197 | E190-S194 WeakPolarHBondContact O-CB 3.18Å; E190-S194 PolarHBondContact O-N 3.42Å; E190-S194 PolarHBondContact O-OG 3.4Å; H191-S194 WeakPolarHBondContact O-CB 3.39Å; H191-S194 PolarHBondContact O-N 3.48Å; L192-S194 VanDerWaalsContact C-N 3.3Å; L192-S194 PolarHBondContact O-N 2.98Å; S194-I196 VanDerWaalsContact C-N 3.33Å; S194-I196 PolarHBondContact O-N 2.91Å; S194-H197 PolarHBondContact O-N 3.3Å; S194-H197 PolarHBondContact O-ND1 3.11Å |
| 195 | M | 98.1 | Very high | 98.3 | Very high | 103 Ų | 103 | 66.2 Ų | 66.2 | 51% | 0.507 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.3 | -37 | 179.2 | -69.6 | 172.6 | 66.4 | 0 | 0 | 113.8 | H191 L192 | H191-M195 PolarHBondContact NE2-SD 3.26Å; H191-M195 WeakPolarHBondContact O-CG 3.28Å; H191-M195 PolarHBondContact O-N 2.86Å; L192-M195 PolarHBondContact O-N 3.43Å |
| 196 | I | 98 | Very high | 98.3 | Very high | 14 Ų | 14 | 65.4 Ų | 65.4 | 7% | 0.072 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 10.3 | -173.2 | 75 | -173.3 | 0 | 0 | 0 | 113.2 | Q170 E173 L174 L192 A193 S194 L198 V203 | Q170-I196 HydrophobicContact CG-CB 4.25Å; Q170-I196 WeakPolarHBondContact CG-O 3.21Å; Q170-I196 PolarHBondContact NE2-O 2.73Å; E173-I196 HydrophobicContact CB-CG2 3.8Å; E173-I196 HydrophobicContact CG-CG2 4.34Å; L174-I196 HydrophobicContact CD1-CD1 4.23Å; L174-I196 HydrophobicContact CD2-CD1 3.69Å; L174-I196 HydrophobicContact CG-CD1 3.7Å; L192-I196 HydrophobicContact CD1-CD1 4.45Å; L192-I196 HydrophobicContact CD1-CG2 4.18Å; L192-I196 HydrophobicContact CG-CD1 4.2Å; L192-I196 WeakPolarHBondContact O-CG1 3.47Å; L192-I196 PolarHBondContact O-N 3.15Å; A193-I196 PolarHBondContact O-N 3.18Å; S194-I196 VanDerWaalsContact C-N 3.33Å; S194-I196 PolarHBondContact O-N 2.91Å; I196-L198 VanDerWaalsContact C-N 3.33Å; I196-L198 HydrophobicContact CD1-CB 4.49Å; I196-L198 HydrophobicContact CD1-CD1 3.83Å; I196-L198 HydrophobicContact CD1-CG 4.32Å; I196-L198 HydrophobicContact CG1-CB 4.07Å; I196-L198 HydrophobicContact CG1-CD1 4.05Å; I196-L198 HydrophobicContact CG1-CG 3.98Å; I196-L198 PolarHBondContact O-N 3.11Å; I196-V203 HydrophobicContact CD1-CG2 4.35Å |
| 197 | H | 98.3 | Very high | 98.3 | Very high | 166 Ų | 166 | 63.5 Ų | 63.5 | 77% | 0.769 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 48.4 | -177.6 | -51.7 | -48.5 | 0 | 0 | 0 | 113.5 | A193 S194 | A193-H197 PolarHBondContact O-N 3.01Å; A193-H197 VanDerWaalsContact O-N 3.11Å; S194-H197 PolarHBondContact O-N 3.3Å; S194-H197 PolarHBondContact O-ND1 3.11Å |
| 198 | L | 97.9 | Very high | 98.3 | Very high | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | trans | -119.8 | 166.4 | 169.9 | -69.1 | -177.8 | 0 | 0 | 0 | 110 | F166 L174 A193 I196 Q202 V203 | F166-L198 HydrophobicContact CD1-CD1 3.93Å; F166-L198 HydrophobicContact CD1-CD2 3.67Å; F166-L198 HydrophobicContact CD1-CG 4.5Å; F166-L198 HydrophobicContact CD2-CD1 4.39Å; F166-L198 HydrophobicContact CE1-CD1 3.92Å; F166-L198 HydrophobicContact CE1-CD2 3.63Å; F166-L198 HydrophobicContact CE1-CG 4.46Å; F166-L198 HydrophobicContact CE2-CD1 4.37Å; F166-L198 HydrophobicContact CG-CD1 4.19Å; F166-L198 HydrophobicContact CZ-CD1 4.16Å; L174-L198 HydrophobicContact CD1-CD1 4.15Å; A193-L198 CarbonylContact C-O 3.41Å; A193-L198 VanDerWaalsContact CB-O 3.31Å; A193-L198 WeakPolarHBondContact CB-O 3.4Å; A193-L198 PolarHBondContact O-N 2.93Å; A193-L198 VanDerWaalsContact O-O 3.06Å; I196-L198 VanDerWaalsContact C-N 3.33Å; I196-L198 HydrophobicContact CD1-CB 4.49Å; I196-L198 HydrophobicContact CD1-CD1 3.83Å; I196-L198 HydrophobicContact CD1-CG 4.32Å; I196-L198 HydrophobicContact CG1-CB 4.07Å; I196-L198 HydrophobicContact CG1-CD1 4.05Å; I196-L198 HydrophobicContact CG1-CG 3.98Å; I196-L198 PolarHBondContact O-N 3.11Å; L198-Q202 HydrophobicContact CB-CB 4.36Å; L198-V203 HydrophobicContact CB-CG2 4.32Å | ||
| 199 | T | 98.4 | Very high | 98.3 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | trans | -79.7 | 150.7 | 170.1 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | T201 Q202 V203 | T199-T201 PolarHBondContact O-N 2.76Å; T199-T201 VanDerWaalsContact O-N 3.11Å; T199-Q202 WeakPolarHBondContact O-CB 3.26Å; T199-Q202 PolarHBondContact O-N 3.13Å; T199-Q202 WeakPolarHBondContact OG1-CB 3.44Å; T199-Q202 VanDerWaalsContact OG1-CG 3.31Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.46Å; T199-Q202 PolarHBondContact OG1-N 2.9Å; T199-Q202 VanDerWaalsContact OG1-N 3.13Å; T199-Q202 PolarHBondContact OG1-OE1 2.92Å; T199-V203 PolarHBondContact O-N 3.3Å; T199-V203 VanDerWaalsContact O-N 3.11Å | ||
| 200 | P | 98.3 | Very high | 98.3 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.3 | -30.7 | 172.5 | -26.2 | 34.6 | 0 | 0 | 0 | 112.9 | R189 E190 A193 V203 K204 | R189-P200 WeakPolarHBondContact CD-O 3.31Å; E190-P200 HydrophobicContact CG-CB 4.22Å; E190-P200 HydrophobicContact CG-CG 3.86Å; A193-P200 HydrophobicContact CB-CB 4.44Å; A193-P200 HydrophobicContact CB-CG 3.97Å; P200-V203 PolarHBondContact O-N 3.49Å; P200-K204 WeakPolarHBondContact O-CB 3.31Å; P200-K204 PolarHBondContact O-N 3.34Å |
| 201 | T | 98.3 | Very high | 98.3 | Very high | 88 Ų | 88 | 62.6 Ų | 62.6 | 54% | 0.54 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 174.9 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | T199 K204 I205 | T199-T201 PolarHBondContact O-N 2.76Å; T199-T201 VanDerWaalsContact O-N 3.11Å; T201-K204 WeakPolarHBondContact O-CB 3Å; T201-K204 PolarHBondContact O-N 3.25Å; T201-I205 HydrophobicContact CG2-CD1 3.94Å; T201-I205 VanDerWaalsContact O-CG1 3.3Å; T201-I205 WeakPolarHBondContact O-CG1 3.25Å; T201-I205 PolarHBondContact O-N 2.82Å |
| 202 | Q | 98.1 | Very high | 98.2 | Very high | 67 Ų | 67 | 63 Ų | 63 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 173.4 | -79.1 | 160.2 | -50.2 | 0 | 0 | 111.5 | F166 L198 T199 I205 W206 | F166-Q202 HydrophobicContact CE1-CB 4.34Å; F166-Q202 HydrophobicContact CE1-CG 4.27Å; F166-Q202 HydrophobicContact CZ-CB 3.95Å; F166-Q202 HydrophobicContact CZ-CG 4.15Å; L198-Q202 HydrophobicContact CB-CB 4.36Å; T199-Q202 WeakPolarHBondContact O-CB 3.26Å; T199-Q202 PolarHBondContact O-N 3.13Å; T199-Q202 WeakPolarHBondContact OG1-CB 3.44Å; T199-Q202 VanDerWaalsContact OG1-CG 3.31Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.46Å; T199-Q202 PolarHBondContact OG1-N 2.9Å; T199-Q202 VanDerWaalsContact OG1-N 3.13Å; T199-Q202 PolarHBondContact OG1-OE1 2.92Å; Q202-I205 PolarHBondContact O-N 3.44Å; Q202-W206 WeakPolarHBondContact O-CB 3.41Å; Q202-W206 PolarHBondContact O-N 3.48Å |
| 203 | V | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -44 | 174.8 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | L174 L184 R189 L192 A193 I196 L198 T199 P200 I205 W206 F207 | L174-V203 HydrophobicContact CD2-CG1 4.07Å; L174-V203 HydrophobicContact CD2-CG2 4.35Å; L184-V203 HydrophobicContact CD1-CG1 4.27Å; R189-V203 HydrophobicContact CG-CB 3.79Å; R189-V203 HydrophobicContact CG-CG1 3.62Å; L192-V203 HydrophobicContact CD2-CG1 3.95Å; A193-V203 HydrophobicContact CB-CG2 3.93Å; I196-V203 HydrophobicContact CD1-CG2 4.35Å; L198-V203 HydrophobicContact CB-CG2 4.32Å; T199-V203 PolarHBondContact O-N 3.3Å; T199-V203 VanDerWaalsContact O-N 3.11Å; P200-V203 PolarHBondContact O-N 3.49Å; V203-I205 PolarHBondContact O-N 3.38Å; V203-W206 PolarHBondContact O-N 2.86Å; V203-F207 HydrophobicContact CG1-CD2 3.77Å; V203-F207 HydrophobicContact CG1-CE2 3.9Å; V203-F207 WeakPolarHBondContact O-CB 3.48Å; V203-F207 WeakPolarHBondContact O-CD2 3.38Å; V203-F207 PolarHBondContact O-N 3.5Å |
| 204 | K | 98.3 | Very high | 97.9 | Very high | 117 Ų | 117 | 71.4 Ų | 71.4 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 175.5 | -178.2 | -177 | 176.6 | -177.6 | 0 | 111.5 | P200 T201 F207 Q208 | P200-K204 WeakPolarHBondContact O-CB 3.31Å; P200-K204 PolarHBondContact O-N 3.34Å; T201-K204 WeakPolarHBondContact O-CB 3Å; T201-K204 PolarHBondContact O-N 3.25Å; K204-F207 PolarHBondContact O-N 3.39Å; K204-Q208 WeakPolarHBondContact O-CB 3.37Å; K204-Q208 PolarHBondContact O-N 3.35Å |
| 205 | I | 98.3 | Very high | 97.7 | Very high | 82 Ų | 82 | 74.4 Ų | 74.4 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 179.9 | -69.3 | 166.6 | 0 | 0 | 0 | 110.8 | T201 Q202 V203 Q208 N209 | T201-I205 HydrophobicContact CG2-CD1 3.94Å; T201-I205 VanDerWaalsContact O-CG1 3.3Å; T201-I205 WeakPolarHBondContact O-CG1 3.25Å; T201-I205 PolarHBondContact O-N 2.82Å; Q202-I205 PolarHBondContact O-N 3.44Å; V203-I205 PolarHBondContact O-N 3.38Å; I205-Q208 PolarHBondContact O-N 3.03Å; I205-N209 WeakPolarHBondContact O-CB 3.36Å; I205-N209 VanDerWaalsContact O-CG 3.23Å; I205-N209 PolarHBondContact O-N 3.26Å; I205-N209 PolarHBondContact O-ND2 3Å |
| 206 | W | 98.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 77.3 Ų | 77.3 | 13% | 0.129 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 178.1 | -171.6 | 100.7 | 0 | 0 | 0 | 111.8 | F166 L174 E175 F178 Q202 V203 Q208 N209 H210 | F166-W206 AromaticContact CD2-CD1 3.87Å; F166-W206 HydrophobicContact CE2-CB 4.28Å; F166-W206 AromaticContact CE2-CD1 3.77Å; F166-W206 HydrophobicContact CE2-CG 4.36Å; L174-W206 VanDerWaalsContact C-CH2 3.45Å; L174-W206 HydrophobicContact CB-CD2 3.93Å; L174-W206 HydrophobicContact CB-CE3 3.9Å; L174-W206 HydrophobicContact CB-CH2 3.63Å; L174-W206 HydrophobicContact CB-CZ2 3.67Å; L174-W206 HydrophobicContact CB-CZ3 3.77Å; L174-W206 HydrophobicContact CD1-CB 4.5Å; L174-W206 HydrophobicContact CD1-CD2 3.92Å; L174-W206 HydrophobicContact CD1-CG 3.88Å; L174-W206 HydrophobicContact CD2-CD2 4.28Å; L174-W206 HydrophobicContact CD2-CE3 4.12Å; L174-W206 HydrophobicContact CG-CD2 4.27Å; L174-W206 HydrophobicContact CG-CE3 4.41Å; L174-W206 WeakPolarHBondContact O-CH2 3.11Å; L174-W206 WeakPolarHBondContact O-CZ3 3.47Å; E175-W206 HydrophobicContact CB-CH2 4.41Å; E175-W206 HydrophobicContact CG-CH2 3.64Å; E175-W206 HydrophobicContact CG-CZ2 3.64Å; F178-W206 HydrophobicContact CB-CH2 4.21Å; F178-W206 HydrophobicContact CB-CZ3 3.93Å; F178-W206 HydrophobicContact CG-CZ3 4.28Å; Q202-W206 WeakPolarHBondContact O-CB 3.41Å; Q202-W206 PolarHBondContact O-N 3.48Å; V203-W206 PolarHBondContact O-N 2.86Å; W206-Q208 VanDerWaalsContact C-N 3.27Å; W206-Q208 PolarHBondContact O-N 3.27Å; W206-N209 PolarHBondContact O-N 2.86Å; W206-H210 HydrophobicContact CE3-CB 4.17Å; W206-H210 HydrophobicContact CH2-CB 4.24Å; W206-H210 AromaticContact CH2-CE1 3.76Å; W206-H210 AromaticContact CH2-CG 3.86Å; W206-H210 AromaticContact CH2-ND1 3Å; W206-H210 WeakPolarHBondContact CH2-ND1 3.32Å; W206-H210 AromaticContact CZ2-ND1 3.29Å; W206-H210 VanDerWaalsContact CZ2-ND1 3.29Å; W206-H210 WeakPolarHBondContact CZ2-ND1 3.32Å; W206-H210 HydrophobicContact CZ3-CB 3.96Å; W206-H210 AromaticContact CZ3-ND1 3.61Å; W206-H210 WeakPolarHBondContact O-CB 3.45Å; W206-H210 PolarHBondContact O-N 2.9Å |
| 207 | F | 98.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 81.5 Ų | 81.5 | 4% | 0.039 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.4 | -29.8 | 176.2 | -91.3 | -107.4 | 0 | 0 | 0 | 112.8 | L174 R177 F178 L184 L192 V203 K204 R211 | L174-F207 HydrophobicContact CD2-CD2 4.34Å; L174-F207 HydrophobicContact CD2-CE2 3.88Å; R177-F207 HydrophobicContact CB-CZ 4.39Å; R177-F207 HydrophobicContact CG-CZ 4.31Å; F178-F207 HydrophobicContact CB-CE1 4.09Å; F178-F207 HydrophobicContact CB-CZ 4.11Å; F178-F207 AromaticContact CD2-CD1 3.74Å; F178-F207 HydrophobicContact CD2-CD1 3.74Å; F178-F207 AromaticContact CD2-CE1 3.72Å; F178-F207 HydrophobicContact CD2-CE1 3.72Å; F178-F207 HydrophobicContact CD2-CZ 4.47Å; F178-F207 HydrophobicContact CE2-CD1 4.42Å; F178-F207 HydrophobicContact CG-CE1 4.42Å; L184-F207 HydrophobicContact CD1-CD1 4.37Å; L184-F207 HydrophobicContact CD1-CD2 4.33Å; L184-F207 HydrophobicContact CD1-CE1 3.83Å; L184-F207 HydrophobicContact CD1-CE2 3.8Å; L184-F207 HydrophobicContact CD1-CZ 3.53Å; L184-F207 HydrophobicContact CD2-CE1 4.3Å; L184-F207 HydrophobicContact CG-CD1 4.11Å; L184-F207 HydrophobicContact CG-CE1 3.64Å; L184-F207 HydrophobicContact CG-CZ 3.89Å; L192-F207 HydrophobicContact CD2-CE2 3.96Å; L192-F207 HydrophobicContact CD2-CZ 4.26Å; V203-F207 HydrophobicContact CG1-CD2 3.77Å; V203-F207 HydrophobicContact CG1-CE2 3.9Å; V203-F207 WeakPolarHBondContact O-CB 3.48Å; V203-F207 WeakPolarHBondContact O-CD2 3.38Å; V203-F207 PolarHBondContact O-N 3.5Å; K204-F207 PolarHBondContact O-N 3.39Å; F207-R211 WeakPolarHBondContact O-CG 3.38Å; F207-R211 PolarHBondContact O-N 3.49Å; F207-R211 PolarHBondContact O-NE 3.36Å |
| 208 | Q | 98.4 | Very high | 96.6 | Very high | 74 Ų | 74 | 76.5 Ų | 76.5 | 35% | 0.346 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.4 | -51 | 171.8 | -175.9 | 165.8 | 8.8 | 0 | 0 | 111.1 | K204 I205 W206 H210 R211 Y212 | K204-Q208 WeakPolarHBondContact O-CB 3.37Å; K204-Q208 PolarHBondContact O-N 3.35Å; I205-Q208 PolarHBondContact O-N 3.03Å; W206-Q208 VanDerWaalsContact C-N 3.27Å; W206-Q208 PolarHBondContact O-N 3.27Å; Q208-H210 VanDerWaalsContact C-N 3.33Å; Q208-H210 PolarHBondContact O-N 3.39Å; Q208-R211 PolarHBondContact O-N 3.32Å; Q208-Y212 HydrophobicContact CG-CD2 3.89Å; Q208-Y212 HydrophobicContact CG-CE2 3.56Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.3Å; Q208-Y212 PolarHBondContact O-N 3.47Å |
| 209 | N | 97.9 | Very high | 96 | Very high | 97 Ų | 97 | 82.6 Ų | 82.6 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 178.2 | -70.6 | -14.2 | 0 | 0 | 0 | 112.5 | I205 W206 Y212 K213 | I205-N209 WeakPolarHBondContact O-CB 3.36Å; I205-N209 VanDerWaalsContact O-CG 3.23Å; I205-N209 PolarHBondContact O-N 3.26Å; I205-N209 PolarHBondContact O-ND2 3Å; W206-N209 PolarHBondContact O-N 2.86Å; N209-Y212 PolarHBondContact O-N 3.28Å; N209-K213 WeakPolarHBondContact O-CB 3.36Å; N209-K213 PolarHBondContact O-N 3.06Å |
| 210 | H | 97.9 | Very high | 95.3 | Very high | 22 Ų | 22 | 82.4 Ų | 82.4 | 10% | 0.102 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 178 | -155.9 | 121 | 0 | 0 | 0 | 111.6 | E175 F178 W206 Q208 K213 M214 | E175-H210 IonicContact OE1-CE1 2.78Å; E175-H210 PolarHBondContact OE1-CE1 3.23Å; F178-H210 AromaticContact CD1-CD2 3.56Å; F178-H210 AromaticContact CD1-NE2 3.65Å; F178-H210 AromaticContact CE1-CD2 3.18Å; F178-H210 WeakPolarHBondContact CE1-CD2 3.4Å; F178-H210 AromaticContact CE1-CG 3.95Å; F178-H210 AromaticContact CE1-NE2 3.57Å; F178-H210 HydrophobicContact CE2-CB 4.4Å; F178-H210 HydrophobicContact CZ-CB 4.42Å; F178-H210 AromaticContact CZ-CD2 3.63Å; W206-H210 HydrophobicContact CE3-CB 4.17Å; W206-H210 HydrophobicContact CH2-CB 4.24Å; W206-H210 AromaticContact CH2-CE1 3.76Å; W206-H210 AromaticContact CH2-CG 3.86Å; W206-H210 AromaticContact CH2-ND1 3Å; W206-H210 WeakPolarHBondContact CH2-ND1 3.32Å; W206-H210 AromaticContact CZ2-ND1 3.29Å; W206-H210 VanDerWaalsContact CZ2-ND1 3.29Å; W206-H210 WeakPolarHBondContact CZ2-ND1 3.32Å; W206-H210 HydrophobicContact CZ3-CB 3.96Å; W206-H210 AromaticContact CZ3-ND1 3.61Å; W206-H210 WeakPolarHBondContact O-CB 3.45Å; W206-H210 PolarHBondContact O-N 2.9Å; Q208-H210 VanDerWaalsContact C-N 3.33Å; Q208-H210 PolarHBondContact O-N 3.39Å; H210-K213 WeakPolarHBondContact O-CB 3.47Å; H210-K213 PolarHBondContact O-N 3.27Å; H210-M214 PolarHBondContact O-N 2.98Å |
| 211 | R | 98 | Very high | 94.5 | Very high | 82 Ų | 82 | 87.3 Ų | 87.3 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.2 | -74.7 | -179.8 | -69.1 | 134.1 | -4.3 | 112.4 | F178 K182 F207 Q208 M214 K215 | F178-R211 HydrophobicContact CE2-CG 3.82Å; F178-R211 HydrophobicContact CZ-CG 4.05Å; K182-R211 WeakPolarHBondContact O-CD 3.27Å; F207-R211 WeakPolarHBondContact O-CG 3.38Å; F207-R211 PolarHBondContact O-N 3.49Å; F207-R211 PolarHBondContact O-NE 3.36Å; Q208-R211 PolarHBondContact O-N 3.32Å; R211-M214 PolarHBondContact O-N 2.99Å; R211-K215 WeakPolarHBondContact O-CB 3.39Å; R211-K215 PolarHBondContact O-N 3.41Å |
| 212 | Y | 97.8 | Very high | 93.6 | Very high | 133 Ų | 133 | 87.4 Ų | 87.4 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 173.5 | -78.3 | -68.9 | 0 | 0 | 0 | 112.1 | Q208 N209 M214 K215 R216 | Q208-Y212 HydrophobicContact CG-CD2 3.89Å; Q208-Y212 HydrophobicContact CG-CE2 3.56Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.3Å; Q208-Y212 PolarHBondContact O-N 3.47Å; N209-Y212 PolarHBondContact O-N 3.28Å; Y212-M214 PolarHBondContact O-N 2.85Å; Y212-K215 PolarHBondContact O-N 3.06Å; Y212-R216 VanDerWaalsContact O-CB 3.28Å; Y212-R216 WeakPolarHBondContact O-CB 3.27Å; Y212-R216 PolarHBondContact O-N 3.02Å |
| 213 | K | 95.9 | Very high | 92.6 | Very high | 94 Ų | 94 | 86.8 Ų | 86.8 | 41% | 0.409 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -56 | -50.8 | 175.7 | -172.8 | -178.4 | 71.3 | 174.1 | 0 | 111.2 | E175 N209 H210 R216 Q217 | E175-K213 IonicContact OE1-NZ 3.32Å; N209-K213 WeakPolarHBondContact O-CB 3.36Å; N209-K213 PolarHBondContact O-N 3.06Å; H210-K213 WeakPolarHBondContact O-CB 3.47Å; H210-K213 PolarHBondContact O-N 3.27Å; K213-R216 PolarHBondContact O-N 3.25Å; K213-Q217 WeakPolarHBondContact O-CG 3.36Å; K213-Q217 PolarHBondContact O-N 2.73Å |
| 214 | M | 94.2 | Very high | 91.5 | Very high | 95 Ų | 95 | 93.1 Ų | 93.1 | 47% | 0.468 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 178.5 | -69.7 | -153.6 | 79.6 | 0 | 0 | 112.8 | F178 H210 R211 Y212 R216 Q217 A218 | F178-M214 HydrophobicContact CE1-SD 3.76Å; F178-M214 HydrophobicContact CZ-SD 4.31Å; H210-M214 PolarHBondContact O-N 2.98Å; R211-M214 PolarHBondContact O-N 2.99Å; Y212-M214 PolarHBondContact O-N 2.85Å; M214-R216 PolarHBondContact O-N 3.21Å; M214-Q217 PolarHBondContact O-N 3.5Å; M214-A218 PolarHBondContact O-N 3.21Å |
| 215 | K | 94.9 | Very high | 90.2 | Very high | 147 Ų | 147 | 94.1 Ų | 94.1 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.2 | -37.3 | 177.5 | -172.2 | 173.3 | 72.5 | 166.9 | 0 | 111.7 | R211 Y212 K219 | R211-K215 WeakPolarHBondContact O-CB 3.39Å; R211-K215 PolarHBondContact O-N 3.41Å; Y212-K215 PolarHBondContact O-N 3.06Å; K215-K219 PolarHBondContact O-N 2.91Å |
| 216 | R | 94 | Very high | 88.7 | Confident | 164 Ų | 164 | 96.2 Ų | 96.2 | 62% | 0.619 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.6 | -48.3 | 178.9 | -174.7 | 57.9 | -167.5 | -117.7 | 8.8 | 111.6 | Y212 K213 M214 A218 K219 D220 | Y212-R216 VanDerWaalsContact O-CB 3.28Å; Y212-R216 WeakPolarHBondContact O-CB 3.27Å; Y212-R216 PolarHBondContact O-N 3.02Å; K213-R216 PolarHBondContact O-N 3.25Å; M214-R216 PolarHBondContact O-N 3.21Å; R216-A218 VanDerWaalsContact C-N 3.25Å; R216-A218 PolarHBondContact O-N 3.12Å; R216-K219 PolarHBondContact O-N 3.02Å; R216-K219 VanDerWaalsContact O-N 3.11Å; R216-D220 WeakPolarHBondContact CG-OD2 3.45Å; R216-D220 IonicContact CZ-OD1 4Å; R216-D220 VanDerWaalsContact NE-CG 3.34Å; R216-D220 IonicContact NE-OD1 2.83Å; R216-D220 PolarHBondContact NE-OD1 2.96Å; R216-D220 IonicContact NE-OD2 3.17Å; R216-D220 PolarHBondContact NE-OD2 2.89Å; R216-D220 VanDerWaalsContact NE-OD2 3.1Å; R216-D220 IonicContact NH2-OD1 3.94Å; R216-D220 PolarHBondContact NH2-OD1 3.31Å; R216-D220 VanDerWaalsContact O-CG 3.26Å; R216-D220 PolarHBondContact O-N 2.91Å |
| 217 | Q | 90.4 | Very high | 87 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 48% | 0.477 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.7 | -35.5 | 174.6 | -73.1 | 176.4 | -9.7 | 0 | 0 | 113.1 | K213 M214 K221 | K213-Q217 WeakPolarHBondContact O-CG 3.36Å; K213-Q217 PolarHBondContact O-N 2.73Å; M214-Q217 PolarHBondContact O-N 3.5Å; Q217-K221 WeakPolarHBondContact O-CB 3.45Å; Q217-K221 WeakPolarHBondContact O-CG 3.37Å; Q217-K221 PolarHBondContact O-N 2.99Å |
| 218 | A | 87.2 | Confident | 85.2 | Confident | 61 Ų | 61 | 107.1 Ų | 107.1 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M214 R216 | M214-A218 PolarHBondContact O-N 3.21Å; R216-A218 VanDerWaalsContact C-N 3.25Å; R216-A218 PolarHBondContact O-N 3.12Å |
| 219 | K | 85.3 | Confident | 83.2 | Confident | 149 Ų | 149 | 110.8 Ų | 110.8 | 65% | 0.648 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.8 | -46.5 | 177.4 | -172.9 | 176 | -178.5 | 179.6 | 0 | 112.1 | K215 R216 K221 V222 S223 | K215-K219 PolarHBondContact O-N 2.91Å; R216-K219 PolarHBondContact O-N 3.02Å; R216-K219 VanDerWaalsContact O-N 3.11Å; K219-K221 PolarHBondContact O-N 3.29Å; K219-V222 PolarHBondContact O-N 2.92Å; K219-V222 VanDerWaalsContact O-N 3.13Å; K219-S223 PolarHBondContact O-N 3.43Å |
| 220 | D | 83.4 | Confident | 81 | Confident | 64 Ų | 64 | 113.2 Ų | 113.2 | 34% | 0.342 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.2 | -33.5 | -176 | -62.8 | -26.1 | 0 | 0 | 0 | 111.5 | R216 Q224 | R216-D220 WeakPolarHBondContact CG-OD2 3.45Å; R216-D220 IonicContact CZ-OD1 4Å; R216-D220 VanDerWaalsContact NE-CG 3.34Å; R216-D220 IonicContact NE-OD1 2.83Å; R216-D220 PolarHBondContact NE-OD1 2.96Å; R216-D220 IonicContact NE-OD2 3.17Å; R216-D220 PolarHBondContact NE-OD2 2.89Å; R216-D220 VanDerWaalsContact NE-OD2 3.1Å; R216-D220 IonicContact NH2-OD1 3.94Å; R216-D220 PolarHBondContact NH2-OD1 3.31Å; R216-D220 VanDerWaalsContact O-CG 3.26Å; R216-D220 PolarHBondContact O-N 2.91Å; D220-Q224 WeakPolarHBondContact O-CB 3.48Å; D220-Q224 PolarHBondContact O-N 3.46Å; D220-Q224 VanDerWaalsContact O-N 3.11Å |
| 221 | K | 81.6 | Confident | 78.9 | Confident | 153 Ų | 153 | 115.9 Ų | 115.9 | 67% | 0.665 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.5 | -45 | 172.7 | -80.1 | -178.4 | 174.7 | -164.5 | 0 | 113.3 | Q217 K219 Q224 Q225 | Q217-K221 WeakPolarHBondContact O-CB 3.45Å; Q217-K221 WeakPolarHBondContact O-CG 3.37Å; Q217-K221 PolarHBondContact O-N 2.99Å; K219-K221 PolarHBondContact O-N 3.29Å; K221-Q224 PolarHBondContact O-N 3.03Å; K221-Q225 PolarHBondContact O-N 2.63Å |
| 222 | V | 79.6 | Confident | 76.6 | Confident | 89 Ų | 89 | 114.1 Ų | 114.1 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.9 | -47.2 | 179.7 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | K219 Q224 Q225 Q226 | K219-V222 PolarHBondContact O-N 2.92Å; K219-V222 VanDerWaalsContact O-N 3.13Å; V222-Q224 VanDerWaalsContact C-N 3.29Å; V222-Q224 PolarHBondContact O-N 3.27Å; V222-Q225 PolarHBondContact O-N 2.9Å; V222-Q226 PolarHBondContact O-N 3.36Å; V222-Q226 VanDerWaalsContact O-N 3.08Å |
| 223 | S | 77.1 | Confident | 74.3 | Confident | 55 Ų | 55 | 111.4 Ų | 111.4 | 39% | 0.385 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.3 | -33.1 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | K219 Q226 M227 | K219-S223 PolarHBondContact O-N 3.43Å; S223-Q226 PolarHBondContact O-N 3.32Å; S223-M227 PolarHBondContact O-N 2.81Å |
| 224 | Q | 74.4 | Confident | 71.9 | Confident | 133 Ų | 133 | 110.9 Ų | 110.9 | 62% | 0.621 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.6 | -38.6 | 175.9 | -161.9 | 168.6 | 105 | 0 | 0 | 112 | D220 K221 V222 Q226 Q228 | D220-Q224 WeakPolarHBondContact O-CB 3.48Å; D220-Q224 PolarHBondContact O-N 3.46Å; D220-Q224 VanDerWaalsContact O-N 3.11Å; K221-Q224 PolarHBondContact O-N 3.03Å; V222-Q224 VanDerWaalsContact C-N 3.29Å; V222-Q224 PolarHBondContact O-N 3.27Å; Q224-Q226 VanDerWaalsContact C-N 3.28Å; Q224-Q226 PolarHBondContact O-N 3.03Å; Q224-Q228 PolarHBondContact O-N 3.34Å |
| 225 | Q | 72.1 | Confident | 69.9 | Low | 138 Ų | 138 | 113.8 Ų | 113.8 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.8 | -32.7 | 174.2 | -128.2 | 172.2 | -4.7 | 0 | 0 | 112.5 | K221 V222 Q228 Q229 | K221-Q225 PolarHBondContact O-N 2.63Å; V222-Q225 PolarHBondContact O-N 2.9Å; Q225-Q228 WeakPolarHBondContact O-CB 3.41Å; Q225-Q228 PolarHBondContact O-N 3.23Å; Q225-Q229 PolarHBondContact O-N 3.06Å |
| 226 | Q | 65.6 | Low | 67.7 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 58% | 0.584 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69 | -45.7 | -179.1 | -149 | 164.3 | 6.6 | 0 | 0 | 112.1 | V222 S223 Q224 Q228 Q229 E230 | V222-Q226 PolarHBondContact O-N 3.36Å; V222-Q226 VanDerWaalsContact O-N 3.08Å; S223-Q226 PolarHBondContact O-N 3.32Å; Q224-Q226 VanDerWaalsContact C-N 3.28Å; Q224-Q226 PolarHBondContact O-N 3.03Å; Q226-Q228 VanDerWaalsContact C-N 3.27Å; Q226-Q228 PolarHBondContact O-N 3.01Å; Q226-Q229 PolarHBondContact O-N 2.83Å; Q226-E230 PolarHBondContact O-N 2.87Å |
| 227 | M | 63.6 | Low | 65.6 | Low | 122 Ų | 122 | 114.3 Ų | 114.3 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.5 | -32.2 | 174.3 | -67.5 | -174.7 | -63.5 | 0 | 0 | 113.2 | S223 Q229 E230 S231 | S223-M227 PolarHBondContact O-N 2.81Å; M227-Q229 VanDerWaalsContact C-N 3.26Å; M227-Q229 PolarHBondContact O-N 2.92Å; M227-E230 PolarHBondContact O-N 3.02Å; M227-S231 PolarHBondContact O-N 2.9Å; M227-S231 PolarHBondContact O-OG 3.37Å |
| 228 | Q | 60.1 | Low | 63.7 | Low | 151 Ų | 151 | 117.4 Ų | 117.4 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.4 | -31.1 | 177.7 | -163.3 | 85.8 | 72 | 0 | 0 | 112 | Q224 Q225 Q226 | Q224-Q228 PolarHBondContact O-N 3.34Å; Q225-Q228 WeakPolarHBondContact O-CB 3.41Å; Q225-Q228 PolarHBondContact O-N 3.23Å; Q226-Q228 VanDerWaalsContact C-N 3.27Å; Q226-Q228 PolarHBondContact O-N 3.01Å |
| 229 | Q | 56.3 | Low | 61.9 | Low | 151 Ų | 151 | 122.5 Ų | 122.5 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -80.9 | -40.7 | 177.7 | -69.1 | -178.3 | -14.6 | 0 | 0 | 112.1 | Q225 Q226 M227 S231 G232 | Q225-Q229 PolarHBondContact O-N 3.06Å; Q226-Q229 PolarHBondContact O-N 2.83Å; M227-Q229 VanDerWaalsContact C-N 3.26Å; M227-Q229 PolarHBondContact O-N 2.92Å; Q229-S231 VanDerWaalsContact C-N 3.33Å; Q229-S231 PolarHBondContact O-N 2.99Å; Q229-G232 PolarHBondContact O-N 2.97Å |
| 230 | E | 52.3 | Low | 60.3 | Low | 147 Ų | 147 | 123.6 Ų | 123.6 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.2 | -36.2 | -179.1 | -161.3 | 175.1 | 128.4 | 0 | 0 | 112.6 | Q226 M227 G232 S233 | Q226-E230 PolarHBondContact O-N 2.87Å; M227-E230 PolarHBondContact O-N 3.02Å; E230-G232 PolarHBondContact O-N 3.2Å; E230-S233 PolarHBondContact O-OG 2.78Å |
| 231 | S | 52.8 | Low | 58.6 | Low | 78 Ų | 78 | 128.8 Ų | 128.8 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -69.8 | -12.8 | 174.1 | -56.3 | 0 | 0 | 0 | 0 | 113.9 | M227 Q229 | M227-S231 PolarHBondContact O-N 2.9Å; M227-S231 PolarHBondContact O-OG 3.37Å; Q229-S231 VanDerWaalsContact C-N 3.33Å; Q229-S231 PolarHBondContact O-N 2.99Å |
| 232 | G | 50.3 | Low | 57.1 | Low | 46 Ų | 46 | 130.1 Ų | 130.1 | 47% | 0.474 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -86.7 | -32.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q229 E230 | Q229-G232 PolarHBondContact O-N 2.97Å; E230-G232 PolarHBondContact O-N 3.2Å |
| 233 | S | 48.5 | Very low | 55.5 | Low | 76 Ų | 76 | 134.8 Ų | 134.8 | 53% | 0.531 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -77.7 | -35.3 | -176.4 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | E230 Q235 Q236 Q237 | E230-S233 PolarHBondContact O-OG 2.78Å; S233-Q235 VanDerWaalsContact C-N 3.35Å; S233-Q235 PolarHBondContact O-N 3.1Å; S233-Q236 PolarHBondContact O-N 3.41Å; S233-Q237 PolarHBondContact O-N 3.32Å |
| 234 | C | 46.9 | Very low | 54 | Low | 82 Ų | 82 | 141.1 Ų | 141.1 | 55% | 0.554 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -70.3 | -24.9 | -174.1 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 235 | Q | 51.5 | Low | 52.5 | Low | 157 Ų | 157 | 143.3 Ų | 143.3 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -74.8 | -37.1 | 173.6 | -74.2 | -167.7 | -23.3 | 0 | 0 | 112.8 | S233 Q238 | S233-Q235 VanDerWaalsContact C-N 3.35Å; S233-Q235 PolarHBondContact O-N 3.1Å; Q235-Q238 PolarHBondContact O-N 3.18Å |
| 236 | Q | 49.5 | Very low | 51.1 | Low | 162 Ų | 162 | 146.1 Ų | 146.1 | 76% | 0.757 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -73.7 | -29.8 | -174.5 | -167.9 | 164.1 | 83.3 | 0 | 0 | 112.8 | S233 Q238 | S233-Q236 PolarHBondContact O-N 3.41Å; Q236-Q238 VanDerWaalsContact C-N 3.29Å; Q236-Q238 PolarHBondContact O-N 3.14Å |
| 237 | Q | 49.4 | Very low | 50.5 | Low | 160 Ų | 160 | 149.2 Ų | 149.2 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -18.5 | 179.5 | -156.8 | 167.6 | 33.1 | 0 | 0 | 113.5 | S233 | S233-Q237 PolarHBondContact O-N 3.32Š|
| 238 | Q | 49.3 | Very low | 49.1 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -16.9 | -177.6 | -159.5 | 167.2 | 50.8 | 0 | 0 | 114 | Q235 Q236 | Q235-Q238 PolarHBondContact O-N 3.18Å; Q236-Q238 VanDerWaalsContact C-N 3.29Å; Q236-Q238 PolarHBondContact O-N 3.14Å |
| 239 | Q | 51 | Low | 48.8 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -22.8 | 178.1 | -80.7 | -170.7 | -9.8 | 0 | 0 | 114.9 | Q241 | Q239-Q241 VanDerWaalsContact C-N 3.33Å; Q239-Q241 PolarHBondContact O-N 3.07Å |
| 240 | Q | 50.4 | Low | 48.4 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -79 | -11.8 | -177.9 | -73.7 | -170 | -7.8 | 0 | 0 | 114.4 | Q242 | Q240-Q242 PolarHBondContact O-N 3.15Š|
| 241 | Q | 48.7 | Very low | 48.2 | Very low | 174 Ų | 174 | 156.4 Ų | 156.4 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -86.4 | 2.8 | -176.1 | -151.8 | 165.4 | 82.4 | 0 | 0 | 114.6 | Q239 | Q239-Q241 VanDerWaalsContact C-N 3.33Å; Q239-Q241 PolarHBondContact O-N 3.07Å |
| 242 | Q | 48.8 | Very low | 47.9 | Very low | 181 Ų | 181 | 158.9 Ų | 158.9 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -94.5 | -10.7 | 177.8 | -77.7 | -168.5 | -1.1 | 0 | 0 | 115.8 | Q240 | Q240-Q242 PolarHBondContact O-N 3.15Š|
| 243 | Q | 47 | Very low | 47.7 | Very low | 187 Ų | 187 | 161 Ų | 161 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -92.1 | 3.6 | -177 | -74.6 | -166.8 | -3.5 | 0 | 0 | 115.7 | ||
| 244 | Q | 45.2 | Very low | 47.2 | Very low | 188 Ų | 188 | 163.5 Ų | 163.5 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -123.6 | 31.1 | -172.5 | -146.9 | 169.1 | 82.1 | 0 | 0 | 115.3 | ||
| 245 | Q | 43.1 | Very low | 47.4 | Very low | 179 Ų | 179 | 164.4 Ų | 164.4 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -118.3 | 22.2 | 169.2 | -76.6 | -165.9 | -0.2 | 0 | 0 | 114.3 | Q247 | Q245-Q247 PolarHBondContact O-N 3.26Š| ||
| 246 | Q | 43 | Very low | 47.5 | Very low | 196 Ų | 196 | 163.9 Ų | 163.9 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -79.4 | 24.1 | 178.7 | -118.7 | -172.4 | 50.1 | 0 | 0 | 115.1 | ||||
| 247 | Q | 52.9 | Low | 47.5 | Very low | 191 Ų | 191 | 162.4 Ų | 162.4 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -137.1 | 102.8 | 168.3 | -66 | -166.8 | 18 | 0 | 0 | 111.2 | Q245 | Q245-Q247 PolarHBondContact O-N 3.26Š| ||
| 248 | S | 33.8 | Very low | 47.9 | Very low | 114 Ų | 114 | 160.4 Ų | 160.4 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -149 | 147.3 | 163.3 | -145.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 249 | P | 53.1 | Low | 47.6 | Very low | 117 Ų | 117 | 160.3 Ų | 160.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77 | 160.5 | -161.8 | -17.9 | 33.7 | 0 | 0 | 0 | 115.3 | R251 | P249-R251 PolarHBondContact O-N 3.35Š|
| 250 | R | 47.8 | Very low | 47.3 | Very low | 245 Ų | 245 | 159 Ų | 159 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 120.9 | 178.8 | -57.4 | 176.1 | -167.7 | -112.9 | 0.7 | 111.4 | ||
| 251 | R | 49.8 | Very low | 46.7 | Very low | 245 Ų | 245 | 154.5 Ų | 154.5 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 124.1 | 159.9 | -75.8 | -71.7 | -169.5 | 161.8 | 2.7 | 109 | P249 | P249-R251 PolarHBondContact O-N 3.35Š|
| 252 | V | 46.1 | Very low | 46.6 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 135.7 | 173.4 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 253 | A | 44.9 | Very low | 46.8 | Very low | 92 Ų | 92 | 153.1 Ų | 153.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 129.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 254 | V | 38.7 | Very low | 46.2 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 116.1 | 173.5 | 179 | 0 | 0 | 0 | 0 | 108.4 | V256 | V254-V256 PolarHBondContact O-N 3.28Š|
| 255 | P | 52 | Low | 46.2 | Very low | 101 Ų | 101 | 151.2 Ų | 151.2 | 66% | 0.656 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 121.5 | 178.1 | 30.9 | -32.8 | 0 | 0 | 0 | 110.8 | L257 | P255-L257 HydrophobicContact CB-CD1 4.06Å; P255-L257 HydrophobicContact CG-CD1 4.25Å |
| 256 | V | 52.7 | Low | 45.8 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -81.6 | 115 | 167.3 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | V254 | V254-V256 PolarHBondContact O-N 3.28Š| ||
| 257 | L | 49.4 | Very low | 45.6 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | -95.4 | 124.2 | 178.6 | -93.2 | 85.4 | 0 | 0 | 0 | 112.1 | P255 | P255-L257 HydrophobicContact CB-CD1 4.06Å; P255-L257 HydrophobicContact CG-CD1 4.25Å | ||
| 258 | V | 58.7 | Low | 44.9 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | trans | 75.2 | 147.4 | 143.4 | -175.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 259 | K | 41.7 | Very low | 45.2 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | cis | -158.9 | 140.8 | 46.2 | -166.3 | 150.3 | -178.5 | 172.6 | 0 | 116.2 | ||||
| 260 | D | 44.8 | Very low | 44.5 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 52.5 | 155.3 | 157.5 | -55.5 | -15.7 | 0 | 0 | 0 | 120.9 | ||||
| 261 | G | 38.7 | Very low | 44.5 | Very low | 76 Ų | 76 | 133.8 Ų | 133.8 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 178.7 | -64 | 176.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 262 | K | 46.8 | Very low | 43.9 | Very low | 213 Ų | 213 | 128.1 Ų | 128.1 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | trans | 67.6 | 163.1 | -170.5 | -92.9 | -174.5 | 175.2 | -178 | 0 | 116.9 | ||||
| 263 | P | 51.8 | Low | 43.3 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -114.9 | 176.7 | -166.9 | 42.9 | -34.2 | 0 | 0 | 0 | 115.6 | ||||
| 264 | C | 36.2 | Very low | 42.8 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 91% | 0.912 | 77% | 0.771 | S | S | * | * | trans | -134.9 | 159.6 | 167.5 | -73.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 265 | Q | 44 | Very low | 42.7 | Very low | 199 Ų | 199 | 125.3 Ų | 125.3 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -124.3 | 166 | -165.7 | -67.6 | -177.6 | -17.2 | 0 | 0 | 115.1 | ||||
| 266 | G | 35.3 | Very low | 41.9 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | trans | 152.5 | 101.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 267 | S | 39.5 | Very low | 41 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | 53.8 | 127.8 | 64.8 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 268 | G | 38.2 | Very low | 40.4 | Very low | 67 Ų | 67 | 128.4 Ų | 128.4 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | cis | 179.9 | -179.2 | -0 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 269 | H | 39.6 | Very low | 39.3 | Very low | 187 Ų | 187 | 130.6 Ų | 130.6 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | cis | -148.4 | 170.4 | 12 | -90.4 | -110.2 | 0 | 0 | 0 | 110.1 | ||||
| 270 | T | 37.6 | Very low | 39 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -95.7 | 178.9 | 165.8 | 60 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 271 | P | 47.8 | Very low | 38.6 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | -155.3 | 150.4 | 85.2 | 41.4 | -22.2 | 0 | 0 | 0 | 118.8 | |||||
| 272 | T | 38.3 | Very low | 38.3 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 152.1 | 132.9 | -142.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 273 | S | 33.6 | Very low | 37.7 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | cis | -147.3 | 157.7 | 13.8 | -55.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 274 | S | 34.2 | Very low | 36.9 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 49.6 | 119.6 | 140.8 | 58.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 275 | A | 36.3 | Very low | 37.1 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | 88.3 | 152.5 | 66.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 276 | Q | 35.3 | Very low | 36.9 | Very low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | cis | -148.7 | -158.1 | 9.7 | -148.9 | 163.9 | -19.3 | 0 | 0 | 113 | ||||
| 277 | T | 33.7 | Very low | 37.1 | Very low | 113 Ų | 113 | 130.1 Ų | 130.1 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | trans | -118 | -174.5 | -152.5 | 27.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 278 | H | 36.8 | Very low | 37.1 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 68% | 0.676 | 77% | 0.772 | S | S | * | * | trans | 95.2 | 151.5 | 171.9 | -63.6 | -105.7 | 0 | 0 | 0 | 115 | ||||
| 279 | H | 34.9 | Very low | 37 | Very low | 162 Ų | 162 | 135 Ų | 135 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | cis | -167 | 176.7 | -1 | -121.6 | -5.9 | 0 | 0 | 0 | 111.2 | ||||
| 280 | Q | 35.6 | Very low | 37 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 60% | 0.603 | 78% | 0.783 | S | S | * | * | cis | -152.1 | -58.5 | -9.7 | -159.9 | -177.6 | 86.4 | 0 | 0 | 115.8 | ||||
| 281 | Q | 37.5 | Very low | 36.9 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -149.4 | 171.3 | -163.6 | -81 | 168.3 | 17.3 | 0 | 0 | 110.5 | ||||
| 282 | G | 31.7 | Very low | 36.4 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | cis | 145.6 | 134.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 283 | G | 33.6 | Very low | 36.4 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | 161.1 | 120.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 284 | N | 35.9 | Very low | 36.5 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -99.9 | 144.7 | 168.1 | -75.5 | -23.1 | 0 | 0 | 0 | 110.1 | ||||
| 285 | V | 39.8 | Very low | 36.7 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -137.5 | 117.7 | 164.4 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 286 | M | 39.1 | Very low | 36.6 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -113 | 123.9 | 155.6 | -74.3 | -163 | -58.5 | 0 | 0 | 108 | ||||
| 287 | I | 40.1 | Very low | 36.6 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | trans | -135.2 | 98.5 | 158.2 | -68.1 | -168.8 | 0 | 0 | 0 | 109 | ||||
| 288 | M | 40.5 | Very low | 36.7 | Very low | 171 Ų | 171 | 138.1 Ų | 138.1 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | 50.1 | 125.1 | 125.5 | -61.2 | -175.9 | 166.2 | 0 | 0 | 121.5 | |||||
| 289 | S | 35.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -73.1 | 133.6 | 157.7 | -45.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 290 | N | 38.6 | Very low | 36.5 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -94.6 | 141.6 | 166.5 | -96.5 | -11.6 | 0 | 0 | 0 | 111 | ||||
| 291 | N | 36.1 | Very low | 36.5 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -122.4 | 136.2 | 175.1 | -173.2 | 30 | 0 | 0 | 0 | 108.6 | ||||
| 292 | A | 36.6 | Very low | 36.5 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -143.7 | 137.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 293 | S | 38.9 | Very low | 36.6 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -110.4 | 147.8 | -167.4 | -54.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 294 | G | 35.1 | Very low | 36.6 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 169.5 | 102.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 295 | L | 38.5 | Very low | 36.5 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | cis | 91.7 | 105.8 | 34.6 | -154.7 | 169.8 | 0 | 0 | 0 | 112.1 | ||||
| 296 | G | 35.8 | Very low | 36.3 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | 128.8 | 144.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 297 | Q | 35.5 | Very low | 36.1 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | 176.3 | 159.5 | -23.1 | -110.2 | -78.4 | 26 | 0 | 0 | 105.4 | ||||
| 298 | H | 35.3 | Very low | 35.9 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -29.5 | 147.3 | 179 | -87.9 | -151.9 | 0 | 0 | 0 | 119.9 | ||||
| 299 | Q | 34 | Very low | 35.8 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | -169.6 | -163.8 | 84.2 | -156.1 | 147.7 | 27.6 | 0 | 0 | 112.2 | |||||
| 300 | S | 33.5 | Very low | 36.7 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 59% | 0.587 | 78% | 0.783 | S | S | * | * | trans | -154.8 | 165.6 | -151.2 | 60.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 301 | Q | 35 | Very low | 36.4 | Very low | 161 Ų | 161 | 128.5 Ų | 128.5 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 71.2 | 161 | 165.8 | -61.3 | -176.8 | 18.5 | 0 | 0 | 115.5 | ||||
| 302 | Q | 38.1 | Very low | 36.8 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | cis | -151.2 | -160.5 | 4 | -138.7 | 177 | 65.8 | 0 | 0 | 112.7 | ||||
| 303 | V | 33.1 | Very low | 37 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -49.4 | 166.8 | 176.5 | -67.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 304 | G | 33.9 | Very low | 37.2 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | 151.4 | 171.4 | -7.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 305 | S | 33.1 | Very low | 37.6 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 74 | 137 | 155.6 | -149.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 306 | T | 36 | Very low | 37.7 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 49.6 | 94.6 | 146.2 | 46 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 307 | G | 34.2 | Very low | 37.8 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | 32 | 154 | 121.1 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 308 | H | 37.4 | Very low | 38.2 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -164.2 | 153.3 | 135.7 | -105.8 | 85.3 | 0 | 0 | 0 | 113.4 | ||||
| 309 | S | 36.9 | Very low | 39.4 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -156 | 162.6 | 164.3 | -75.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 310 | P | 54.5 | Low | 40.2 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | cis | -127.8 | -167 | 18.4 | 43.3 | -27.5 | 0 | 0 | 0 | 113.3 | ||||
| 311 | D | 33.4 | Very low | 40.5 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | -162.9 | -171.4 | 109.3 | -159.4 | -116.1 | 0 | 0 | 0 | 111.5 | |||||
| 312 | L | 44.5 | Very low | 40.7 | Very low | 147 Ų | 147 | 130.1 Ų | 130.1 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -132.4 | 123 | -158.1 | 176.4 | 71.4 | 0 | 0 | 0 | 112.3 | ||||
| 313 | A | 39.8 | Very low | 40.6 | Very low | 98 Ų | 98 | 131 Ų | 131 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -140.4 | 126 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 314 | Q | 43 | Very low | 40.8 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -78.3 | 150.9 | 160.5 | -63 | 170.2 | -18.6 | 0 | 0 | 108.8 | ||||
| 315 | H | 44.4 | Very low | 40.9 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | -175.8 | 150.3 | 129 | -97.1 | -64.2 | 0 | 0 | 0 | 110.1 | |||||
| 316 | S | 39.7 | Very low | 41.4 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -105.6 | 143.2 | -172.6 | 44.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 317 | S | 37.8 | Very low | 41.4 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -162.6 | 138.1 | 163.1 | -80.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 318 | S | 44.7 | Very low | 41.5 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 140.3 | 176.1 | -55 | 0 | 0 | 0 | 0 | 111 | ||
| 319 | P | 60.3 | Low | 41.6 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 147 | 168 | 33.6 | -32.6 | 0 | 0 | 0 | 111.7 | ||
| 320 | P | 50 | Low | 41.8 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 165.8 | 179.5 | 35.4 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 321 | S | 40.7 | Very low | 41.1 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93 | 129.4 | 176 | -52.7 | 0 | 0 | 0 | 0 | 113 | ||
| 322 | L | 39.5 | Very low | 41.4 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -132.9 | 121.1 | 157.6 | -68.6 | 171.7 | 0 | 0 | 0 | 106 | ||||
| 323 | Q | 36.7 | Very low | 41 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | cis | 81.7 | 108.4 | 49.7 | -168.7 | 65.1 | 12.4 | 0 | 0 | 112.9 | ||||
| 324 | S | 36.2 | Very low | 40.8 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | trans | 67.7 | 115.1 | 167.2 | -165.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 325 | Q | 36.8 | Very low | 41.6 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | -152.4 | 149.3 | 122.4 | -110 | 173.6 | 38.6 | 0 | 0 | 110 | |||||
| 326 | V | 42.6 | Very low | 41.2 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -133.9 | 106.7 | -173.3 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 327 | A | 37 | Very low | 41.1 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -166.4 | 143.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 328 | G | 35.1 | Very low | 41.4 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | cis | 130.5 | 98.4 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 329 | L | 39.1 | Very low | 41.1 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 95% | 0.948 | 81% | 0.805 | S | S | * | * | trans | -162.8 | 149.1 | 164.8 | -107.7 | 167.5 | 0 | 0 | 0 | 109.2 | ||||
| 330 | S | 42.4 | Very low | 40 | Very low | 98 Ų | 98 | 134 Ų | 134 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -147.3 | 179.7 | -175.4 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 331 | H | 39.8 | Very low | 39.3 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | trans | 69.8 | 145.6 | 178.7 | -92.5 | -116.3 | 0 | 0 | 0 | 114.1 | ||||
| 332 | L | 40 | Very low | 39.6 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | cis | -141.2 | 136.5 | 7.7 | -92.5 | 157.8 | 0 | 0 | 0 | 108.2 | ||||
| 333 | N | 34.5 | Very low | 40.1 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | 101.4 | 158.8 | 88.7 | -160.3 | 16.3 | 0 | 0 | 0 | 114.3 | |||||
| 334 | S | 36.4 | Very low | 40.3 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -109 | -159.5 | -171.5 | -41.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 335 | P | 59.2 | Low | 40.3 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | cis | -134.8 | -172.1 | -20.6 | 38.9 | -20.8 | 0 | 0 | 0 | 114 | ||||
| 336 | G | 36.5 | Very low | 40.4 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 136.6 | 146.1 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 337 | A | 38 | Very low | 40.5 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | 57.7 | 126.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 338 | E | 44.6 | Very low | 40.9 | Very low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | cis | 92.3 | 154.5 | 30.3 | -65.1 | -147.3 | 87.3 | 0 | 0 | 116.6 | ||||
| 339 | Y | 37.2 | Very low | 41.8 | Very low | 233 Ų | 233 | 134 Ų | 134 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | trans | 65.3 | 129.4 | -159 | -68.3 | -94.2 | 0 | 0 | 0 | 115 | ||||
| 340 | G | 38.2 | Very low | 41.9 | Very low | 73 Ų | 73 | 135.8 Ų | 135.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | 117.3 | 88.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 341 | S | 35.3 | Very low | 42 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -151.7 | 128 | 162.6 | -171.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 342 | A | 47 | Very low | 42.2 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -96.9 | 128.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 343 | L | 48.9 | Very low | 42.5 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -118.3 | 89.2 | 159.5 | -76.2 | 179.8 | 0 | 0 | 0 | 109.6 | C345 | L343-C345 PolarHBondContact O-N 2.93Š| ||
| 344 | Q | 41.1 | Very low | 42.9 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -64.8 | 98 | 170.1 | -173.7 | 159.1 | -68.7 | 0 | 0 | 108.7 | S346 | Q344-S346 PolarHBondContact O-N 3.21Š| ||
| 345 | C | 37.3 | Very low | 43.2 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -68 | 82.5 | 176.8 | -73.5 | 0 | 0 | 0 | 0 | 110.9 | L343 A347 | L343-C345 PolarHBondContact O-N 2.93Å; C345-A347 PolarHBondContact O-N 3.43Å | ||
| 346 | S | 38.8 | Very low | 42.4 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | trans | -50.4 | 106.1 | 177 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | Q344 L348 | Q344-S346 PolarHBondContact O-N 3.21Å; S346-L348 PolarHBondContact O-N 3.26Å | ||
| 347 | A | 43.2 | Very low | 42.7 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -72.7 | 75.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | C345 L349 | C345-A347 PolarHBondContact O-N 3.43Å; A347-L349 PolarHBondContact O-N 3.49Å | ||
| 348 | L | 47.2 | Very low | 43 | Very low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -63.1 | 102.3 | 176 | -74 | 176.5 | 0 | 0 | 0 | 109.8 | S346 Y350 | S346-L348 PolarHBondContact O-N 3.26Å; L348-Y350 PolarHBondContact O-N 3.3Å | ||
| 349 | L | 52.3 | Low | 42.9 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | trans | -68.6 | 62.5 | 176.4 | -77.1 | 160.7 | 0 | 0 | 0 | 111.6 | A347 | A347-L349 PolarHBondContact O-N 3.49Š| ||
| 350 | Y | 42.7 | Very low | 43.2 | Very low | 218 Ų | 218 | 141 Ų | 141 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -78.7 | 127.7 | 170 | -117.2 | -93 | 0 | 0 | 0 | 111.1 | L348 R352 | L348-Y350 PolarHBondContact O-N 3.3Å; Y350-R352 PolarHBondContact O-N 2.67Å | ||
| 351 | G | 42.9 | Very low | 43.6 | Very low | 67 Ų | 67 | 145.9 Ų | 145.9 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -58.6 | 127 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 352 | R | 45.6 | Very low | 44.2 | Very low | 214 Ų | 214 | 147.7 Ų | 147.7 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | -115 | 72.6 | 165.1 | -81.8 | -177.8 | 166.3 | 155.4 | 0.4 | 110.2 | Y350 W354 | Y350-R352 PolarHBondContact O-N 2.67Å; R352-W354 PolarHBondContact O-N 2.65Å | ||
| 353 | T | 45.2 | Very low | 44 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -58.6 | 128.8 | 161.5 | 42.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 354 | W | 43.1 | Very low | 43.6 | Very low | 220 Ų | 220 | 151.5 Ų | 151.5 | 83% | 0.833 | 80% | 0.799 | S | S | * | * | trans | -148.8 | 0 | 171.3 | -68.7 | 89.7 | 0 | 0 | 0 | 105.4 | R160 R352 | R160-W354 PolarHBondContact NH1-O 3.12Å; R160-W354 PolarHBondContact NH1-OXT 3.44Å; R352-W354 PolarHBondContact O-N 2.65Å |
Retrieved 354 of 354 residues in 96.5 ms
(Link to these results)