| 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 | 47.6 | Very low | 76 | Confident | 236 Ų | 236 | 152 Ų | 152 | 100% | 1.163 | 78% | 0.777 | S | S | * | * | 0 | 103.6 | 0 | -66.3 | -59.5 | 146.5 | 0 | 0 | 107.9 | |||||
| 2 | S | 69 | Low | 76.9 | Confident | 115 Ų | 115 | 148.4 Ų | 148.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -77 | 126.7 | 178.9 | 51.9 | 0 | 0 | 0 | 0 | 109.5 | K4 | S2-K4 PolarHBondContact O-N 2.78Š| ||
| 3 | K | 76.1 | Confident | 77.6 | Confident | 207 Ų | 207 | 148 Ų | 148 | 90% | 0.9 | 77% | 0.765 | S | S | * | * | trans | -68.6 | 111.9 | 172.1 | -65.9 | -173.3 | 179 | 179.5 | 0 | 106.9 | ||||
| 4 | K | 76.1 | Confident | 78.3 | Confident | 177 Ų | 177 | 144.7 Ų | 144.7 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -78.1 | 125.7 | 179.1 | -136.3 | 153.7 | -174 | 172 | 0 | 107.9 | S2 | S2-K4 PolarHBondContact O-N 2.78Š| ||
| 5 | D | 77.7 | Confident | 78.9 | Confident | 125 Ų | 125 | 141.7 Ų | 141.7 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | trans | -61 | 126.5 | -178.2 | -100.1 | -36.8 | 0 | 0 | 0 | 110.2 | N7 F8 | D5-N7 PolarHBondContact O-N 2.87Å; D5-F8 WeakPolarHBondContact O-CB 3.33Å; D5-F8 PolarHBondContact O-N 3.29Å; D5-F8 VanDerWaalsContact O-N 3.11Å | ||
| 6 | P | 79.5 | Confident | 79.3 | Confident | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -14.9 | -178.5 | 23.5 | -31.5 | 0 | 0 | 0 | 112.9 | ||
| 7 | N | 77.8 | Confident | 79.7 | Confident | 106 Ų | 106 | 145.1 Ų | 145.1 | 57% | 0.567 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 2.2 | 179.6 | -66.1 | -44.4 | 0 | 0 | 0 | 114.2 | D5 L9 K10 | D5-N7 PolarHBondContact O-N 2.87Å; N7-L9 PolarHBondContact O-N 2.84Å; N7-K10 PolarHBondContact O-N 3.35Å; N7-K10 VanDerWaalsContact O-N 3.11Å |
| 8 | F | 78.7 | Confident | 80.3 | Confident | 167 Ų | 167 | 139.9 Ų | 139.9 | 73% | 0.732 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -24 | -174 | 173.4 | -98 | 0 | 0 | 0 | 114.3 | D5 | D5-F8 WeakPolarHBondContact O-CB 3.33Å; D5-F8 PolarHBondContact O-N 3.29Å; D5-F8 VanDerWaalsContact O-N 3.11Å |
| 9 | L | 80.9 | Confident | 81.1 | Confident | 147 Ų | 147 | 137.6 Ų | 137.6 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 15 | -180 | -159.4 | 64.3 | 0 | 0 | 0 | 113.6 | N7 V11 | N7-L9 PolarHBondContact O-N 2.84Å; L9-V11 PolarHBondContact O-N 2.95Å |
| 10 | K | 86.3 | Confident | 81.7 | Confident | 148 Ų | 148 | 137.6 Ų | 137.6 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | trans | -78.4 | 90.8 | -177 | -169.4 | 176.5 | 178.7 | -179.7 | 0 | 110.6 | N7 T12 | N7-K10 PolarHBondContact O-N 3.35Å; N7-K10 VanDerWaalsContact O-N 3.11Å; K10-T12 PolarHBondContact O-N 3.14Å | ||
| 11 | V | 86.1 | Confident | 82.1 | Confident | 126 Ų | 126 | 137.2 Ų | 137.2 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 116.3 | 167.1 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | L9 | L9-V11 PolarHBondContact O-N 2.95Š|
| 12 | T | 87.3 | Confident | 84.2 | Confident | 109 Ų | 109 | 131.9 Ų | 131.9 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 117.4 | 174.2 | -53 | 0 | 0 | 0 | 0 | 108.3 | K10 | K10-T12 PolarHBondContact O-N 3.14Š|
| 13 | I | 86 | Confident | 85.5 | Confident | 143 Ų | 143 | 128.6 Ų | 128.6 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 129 | 174.2 | -58.7 | 173.7 | 0 | 0 | 0 | 107.5 | ||
| 14 | P | 86.9 | Confident | 86.3 | Confident | 102 Ų | 102 | 123.2 Ų | 123.2 | 66% | 0.662 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 148.2 | 177.6 | 25.9 | -33.5 | 0 | 0 | 0 | 110.6 | F16 | P14-F16 PolarHBondContact O-N 2.92Š|
| 15 | P | 87.3 | Confident | 87.1 | Confident | 99 Ų | 99 | 121.6 Ų | 121.6 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.1 | 174.7 | -23.8 | 33.8 | 0 | 0 | 0 | 111.3 | H17 | P15-H17 PolarHBondContact O-CD2 2.77Å; P15-H17 PolarHBondContact O-N 2.97Å |
| 16 | F | 85.4 | Confident | 87.9 | Confident | 189 Ų | 189 | 119.5 Ų | 119.5 | 83% | 0.829 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 116.5 | 174.6 | -178.1 | -106.8 | 0 | 0 | 0 | 110 | P14 D18 | P14-F16 PolarHBondContact O-N 2.92Å; F16-D18 HydrophobicContact CD1-CB 4.45Å; F16-D18 HydrophobicContact CE1-CB 4.02Å |
| 17 | H | 85.4 | Confident | 88.7 | Confident | 153 Ų | 153 | 119.8 Ų | 119.8 | 71% | 0.708 | 61% | 0.609 | S | S | * | * | trans | -95.2 | 99.3 | 176.1 | -64.4 | -66.8 | 0 | 0 | 0 | 110 | P15 P19 | P15-H17 PolarHBondContact O-CD2 2.77Å; P15-H17 PolarHBondContact O-N 2.97Å; H17-P19 VanDerWaalsContact O-CD 3.3Å; H17-P19 WeakPolarHBondContact O-CD 3.31Å | ||
| 18 | D | 91.8 | Very high | 89.5 | Confident | 52 Ų | 52 | 115.2 Ų | 115.2 | 28% | 0.278 | 59% | 0.585 | S | S | . | * | trans | -69.1 | 117.8 | 172.9 | 179.2 | -9.4 | 0 | 0 | 0 | 110.1 | F16 L20 K21 K22 | F16-D18 HydrophobicContact CD1-CB 4.45Å; F16-D18 HydrophobicContact CE1-CB 4.02Å; D18-L20 PolarHBondContact O-N 3.36Å; D18-L20 WeakPolarHBondContact OD1-CB 3.21Å; D18-L20 PolarHBondContact OD1-N 3.27Å; D18-K21 HydrophobicContact CB-CB 4.01Å; D18-K21 HydrophobicContact CB-CG 3.75Å; D18-K21 PolarHBondContact O-N 2.94Å; D18-K21 VanDerWaalsContact O-N 3.12Å; D18-K21 WeakPolarHBondContact OD2-CG 3.41Å; D18-K22 PolarHBondContact O-N 3.33Å | ||
| 19 | P | 94.6 | Very high | 90.2 | Very high | 96 Ų | 96 | 110.5 Ų | 110.5 | 62% | 0.623 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -57.2 | -33.7 | 178.6 | -24.5 | 34.9 | 0 | 0 | 0 | 113.6 | H17 K22 A23 | H17-P19 VanDerWaalsContact O-CD 3.3Å; H17-P19 WeakPolarHBondContact O-CD 3.31Å; P19-K22 PolarHBondContact O-N 3.5Å; P19-A23 WeakPolarHBondContact O-CB 3.18Å; P19-A23 PolarHBondContact O-N 3.34Å |
| 20 | L | 92.8 | Very high | 91 | Very high | 136 Ų | 136 | 109.5 Ų | 109.5 | 71% | 0.712 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.3 | -39.3 | 178.8 | -64.6 | 177.4 | 0 | 0 | 0 | 111.3 | D18 A23 Q24 | D18-L20 PolarHBondContact O-N 3.36Å; D18-L20 WeakPolarHBondContact OD1-CB 3.21Å; D18-L20 PolarHBondContact OD1-N 3.27Å; L20-A23 PolarHBondContact O-N 2.97Å; L20-Q24 PolarHBondContact O-N 3.38Å; L20-Q24 VanDerWaalsContact O-N 3.14Å |
| 21 | K | 90.8 | Very high | 91.4 | Very high | 131 Ų | 131 | 106.9 Ų | 106.9 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.9 | -43.5 | 174.1 | -62.4 | -64.2 | 174.9 | -175.4 | 0 | 110.6 | D18 A23 Q24 Y25 | D18-K21 HydrophobicContact CB-CB 4.01Å; D18-K21 HydrophobicContact CB-CG 3.75Å; D18-K21 PolarHBondContact O-N 2.94Å; D18-K21 VanDerWaalsContact O-N 3.12Å; D18-K21 WeakPolarHBondContact OD2-CG 3.41Å; K21-A23 PolarHBondContact O-N 3.39Å; K21-Q24 PolarHBondContact O-N 2.95Å; K21-Y25 HydrophobicContact CB-CD2 4.42Å; K21-Y25 HydrophobicContact CB-CE2 4.33Å; K21-Y25 WeakPolarHBondContact O-CD2 3.4Å; K21-Y25 PolarHBondContact O-N 3.24Å |
| 22 | K | 92.7 | Very high | 91.9 | Very high | 124 Ų | 124 | 103.5 Ų | 103.5 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.2 | -49.4 | 175.8 | -175.6 | -179.1 | -179.9 | -64.3 | 0 | 111.5 | D18 P19 Q24 Y25 D26 | D18-K22 PolarHBondContact O-N 3.33Å; P19-K22 PolarHBondContact O-N 3.5Å; K22-Q24 PolarHBondContact O-N 3.36Å; K22-Y25 PolarHBondContact O-N 2.89Å; K22-Y25 VanDerWaalsContact O-N 3.14Å; K22-D26 IonicContact NZ-OD1 3.06Å; K22-D26 IonicContact NZ-OD2 2.65Å; K22-D26 PolarHBondContact NZ-OD2 2.96Å; K22-D26 VanDerWaalsContact O-CG 3.23Å; K22-D26 PolarHBondContact O-N 3.4Å |
| 23 | A | 95.1 | Very high | 92.3 | Very high | 46 Ų | 46 | 101.4 Ų | 101.4 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | P19 L20 K21 K27 | P19-A23 WeakPolarHBondContact O-CB 3.18Å; P19-A23 PolarHBondContact O-N 3.34Å; L20-A23 PolarHBondContact O-N 2.97Å; K21-A23 PolarHBondContact O-N 3.39Å; A23-K27 VanDerWaalsContact O-CG 3.32Å; A23-K27 WeakPolarHBondContact O-CG 3.33Å; A23-K27 PolarHBondContact O-N 2.89Å |
| 24 | Q | 93.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 99.8 Ų | 99.8 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70 | -45.3 | 175.1 | -174 | 59 | 48.5 | 0 | 0 | 111.9 | L20 K21 K22 D26 K27 D28 | L20-Q24 PolarHBondContact O-N 3.38Å; L20-Q24 VanDerWaalsContact O-N 3.14Å; K21-Q24 PolarHBondContact O-N 2.95Å; K22-Q24 PolarHBondContact O-N 3.36Å; Q24-D26 VanDerWaalsContact C-N 3.34Å; Q24-D26 PolarHBondContact O-N 2.83Å; Q24-K27 PolarHBondContact O-N 3.26Å; Q24-D28 PolarHBondContact NE2-OD1 3.4Å; Q24-D28 PolarHBondContact NE2-OD2 3.12Å; Q24-D28 WeakPolarHBondContact O-CB 3.41Å; Q24-D28 VanDerWaalsContact O-CG 3.24Å; Q24-D28 PolarHBondContact O-N 3.35Å |
| 25 | Y | 92.7 | Very high | 93.2 | Very high | 144 Ų | 144 | 96.5 Ų | 96.5 | 57% | 0.565 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 176.7 | -79.8 | -64.7 | 0 | 0 | 0 | 112.2 | K21 K22 K27 D28 N29 | K21-Y25 HydrophobicContact CB-CD2 4.42Å; K21-Y25 HydrophobicContact CB-CE2 4.33Å; K21-Y25 WeakPolarHBondContact O-CD2 3.4Å; K21-Y25 PolarHBondContact O-N 3.24Å; K22-Y25 PolarHBondContact O-N 2.89Å; K22-Y25 VanDerWaalsContact O-N 3.14Å; Y25-K27 VanDerWaalsContact C-N 3.34Å; Y25-K27 PolarHBondContact O-N 3.18Å; Y25-D28 PolarHBondContact O-N 2.9Å; Y25-N29 WeakPolarHBondContact O-CB 3.21Å; Y25-N29 PolarHBondContact O-N 3.42Å |
| 26 | D | 94.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 94.6 Ų | 94.6 | 43% | 0.433 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 179 | -68.3 | -17.9 | 0 | 0 | 0 | 110.6 | K22 Q24 N29 E30 | K22-D26 IonicContact NZ-OD1 3.06Å; K22-D26 IonicContact NZ-OD2 2.65Å; K22-D26 PolarHBondContact NZ-OD2 2.96Å; K22-D26 VanDerWaalsContact O-CG 3.23Å; K22-D26 PolarHBondContact O-N 3.4Å; Q24-D26 VanDerWaalsContact C-N 3.34Å; Q24-D26 PolarHBondContact O-N 2.83Å; D26-N29 WeakPolarHBondContact O-CB 3.46Å; D26-N29 PolarHBondContact O-N 3.08Å; D26-E30 PolarHBondContact O-N 3.28Å |
| 27 | K | 94.9 | Very high | 94.1 | Very high | 124 Ų | 124 | 90.5 Ų | 90.5 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.8 | -72.4 | 176 | 179.8 | -178.1 | 0 | 113 | A23 Q24 Y25 N29 E30 K31 | A23-K27 VanDerWaalsContact O-CG 3.32Å; A23-K27 WeakPolarHBondContact O-CG 3.33Å; A23-K27 PolarHBondContact O-N 2.89Å; Q24-K27 PolarHBondContact O-N 3.26Å; Y25-K27 VanDerWaalsContact C-N 3.34Å; Y25-K27 PolarHBondContact O-N 3.18Å; K27-N29 VanDerWaalsContact C-N 3.27Å; K27-N29 PolarHBondContact O-N 3.05Å; K27-E30 PolarHBondContact O-N 2.8Å; K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 2.96Å; K27-K31 VanDerWaalsContact O-N 3.12Å |
| 28 | D | 95 | Very high | 94.6 | Very high | 10 Ų | 10 | 91.1 Ų | 91.1 | 5% | 0.053 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 178.2 | -69.3 | -25.1 | 0 | 0 | 0 | 110.8 | Q24 Y25 R32 F48 K49 | Q24-D28 PolarHBondContact NE2-OD1 3.4Å; Q24-D28 PolarHBondContact NE2-OD2 3.12Å; Q24-D28 WeakPolarHBondContact O-CB 3.41Å; Q24-D28 VanDerWaalsContact O-CG 3.24Å; Q24-D28 PolarHBondContact O-N 3.35Å; Y25-D28 PolarHBondContact O-N 2.9Å; D28-R32 WeakPolarHBondContact O-CB 3.46Å; D28-R32 PolarHBondContact O-N 3.48Å; D28-F48 HydrophobicContact CB-CE1 4.21Å; D28-K49 IonicContact OD1-NZ 2.92Å; D28-K49 PolarHBondContact OD1-NZ 2.92Å; D28-K49 WeakPolarHBondContact OD2-CE 3.03Å; D28-K49 IonicContact OD2-NZ 3.44Å; D28-K49 PolarHBondContact OD2-NZ 3.37Å |
| 29 | N | 94.8 | Very high | 94.7 | Very high | 67 Ų | 67 | 91.5 Ų | 91.5 | 36% | 0.358 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.6 | -44.3 | 176.8 | -175.8 | 58.9 | 0 | 0 | 0 | 112.5 | Y25 D26 K27 R32 T33 | Y25-N29 WeakPolarHBondContact O-CB 3.21Å; Y25-N29 PolarHBondContact O-N 3.42Å; D26-N29 WeakPolarHBondContact O-CB 3.46Å; D26-N29 PolarHBondContact O-N 3.08Å; K27-N29 VanDerWaalsContact C-N 3.27Å; K27-N29 PolarHBondContact O-N 3.05Å; N29-R32 PolarHBondContact O-N 2.93Å; N29-R32 PolarHBondContact OD1-NH2 2.85Å; N29-T33 WeakPolarHBondContact O-CB 3.41Å; N29-T33 PolarHBondContact O-N 3.4Å; N29-T33 PolarHBondContact O-OG1 3.32Å |
| 30 | E | 95.9 | Very high | 94.8 | Very high | 126 Ų | 126 | 90.2 Ų | 90.2 | 59% | 0.589 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.2 | -52.6 | 174.9 | -175.9 | -174.9 | 174.3 | 0 | 0 | 110.8 | D26 K27 R32 T33 L34 | D26-E30 PolarHBondContact O-N 3.28Å; K27-E30 PolarHBondContact O-N 2.8Å; E30-R32 VanDerWaalsContact C-N 3.32Å; E30-R32 PolarHBondContact O-N 3.46Å; E30-T33 WeakPolarHBondContact O-CB 3.37Å; E30-T33 PolarHBondContact O-N 3.16Å; E30-T33 VanDerWaalsContact O-N 3.14Å; E30-L34 WeakPolarHBondContact O-CG 3.41Å; E30-L34 PolarHBondContact O-N 2.95Å |
| 31 | K | 95.6 | Very high | 94.9 | Very high | 93 Ų | 93 | 90.1 Ų | 90.1 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 177.8 | -69.2 | 175.3 | 175.1 | 178.2 | 0 | 112.8 | K27 T33 L34 L35 F48 E52 | K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 2.96Å; K27-K31 VanDerWaalsContact O-N 3.12Å; K31-T33 VanDerWaalsContact C-N 3.32Å; K31-T33 PolarHBondContact O-N 3.41Å; K31-L34 PolarHBondContact O-N 3.08Å; K31-L35 PolarHBondContact O-N 3.14Å; K31-F48 HydrophobicContact CB-CE1 4.27Å; K31-F48 HydrophobicContact CB-CE2 3.85Å; K31-F48 HydrophobicContact CB-CZ 3.36Å; K31-F48 HydrophobicContact CD-CZ 3.94Å; K31-F48 HydrophobicContact CG-CZ 4.36Å; K31-E52 IonicContact NZ-OE1 3.92Å; K31-E52 PolarHBondContact NZ-OE1 3.35Å |
| 32 | R | 96.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 90.5 Ų | 90.5 | 21% | 0.208 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 176.8 | 179.7 | -179.3 | 67.4 | 116.9 | -4 | 111.6 | D28 N29 E30 L35 Q36 Y43 F48 | D28-R32 WeakPolarHBondContact O-CB 3.46Å; D28-R32 PolarHBondContact O-N 3.48Å; N29-R32 PolarHBondContact O-N 2.93Å; N29-R32 PolarHBondContact OD1-NH2 2.85Å; E30-R32 VanDerWaalsContact C-N 3.32Å; E30-R32 PolarHBondContact O-N 3.46Å; R32-L35 PolarHBondContact O-N 3.47Å; R32-Q36 WeakPolarHBondContact O-CB 3.49Å; R32-Q36 PolarHBondContact O-N 3.14Å; R32-Y43 WeakPolarHBondContact CD-O 3.49Å; R32-Y43 PolarHBondContact NH1-O 2.74Å; R32-Y43 VanDerWaalsContact NH1-O 3.14Å; R32-F48 HydrophobicContact CB-CB 4.41Å; R32-F48 HydrophobicContact CB-CD1 4.36Å; R32-F48 HydrophobicContact CB-CD2 3.8Å; R32-F48 HydrophobicContact CB-CE2 4.21Å; R32-F48 HydrophobicContact CB-CG 3.9Å; R32-F48 HydrophobicContact CG-CB 4.18Å; R32-F48 HydrophobicContact CG-CD2 4.22Å; R32-F48 HydrophobicContact CG-CG 4.19Å |
| 33 | T | 96.1 | Very high | 95.1 | Very high | 65 Ų | 65 | 86.5 Ų | 86.5 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 177.4 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | N29 E30 K31 Q36 C37 | N29-T33 WeakPolarHBondContact O-CB 3.41Å; N29-T33 PolarHBondContact O-N 3.4Å; N29-T33 PolarHBondContact O-OG1 3.32Å; E30-T33 WeakPolarHBondContact O-CB 3.37Å; E30-T33 PolarHBondContact O-N 3.16Å; E30-T33 VanDerWaalsContact O-N 3.14Å; K31-T33 VanDerWaalsContact C-N 3.32Å; K31-T33 PolarHBondContact O-N 3.41Å; T33-Q36 PolarHBondContact O-N 2.91Å; T33-C37 PolarHBondContact O-N 3.36Å; T33-C37 PolarHBondContact O-SG 2.89Å; T33-C37 VanDerWaalsContact O-SG 3.33Å |
| 34 | L | 96.4 | Very high | 95.1 | Very high | 110 Ų | 110 | 87.2 Ų | 87.2 | 58% | 0.576 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.7 | -47.8 | 174.8 | -68.1 | 172.1 | 0 | 0 | 0 | 111.9 | E30 K31 Q36 C37 E38 | E30-L34 WeakPolarHBondContact O-CG 3.41Å; E30-L34 PolarHBondContact O-N 2.95Å; K31-L34 PolarHBondContact O-N 3.08Å; L34-Q36 VanDerWaalsContact C-N 3.27Å; L34-Q36 PolarHBondContact O-N 2.91Å; L34-C37 WeakPolarHBondContact O-CB 3.4Å; L34-C37 PolarHBondContact O-N 3.39Å; L34-C37 VanDerWaalsContact O-N 3.14Å; L34-E38 PolarHBondContact O-N 2.65Å |
| 35 | L | 94.8 | Very high | 95 | Very high | 32 Ų | 32 | 86.3 Ų | 86.3 | 17% | 0.168 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60 | -39.1 | 177.4 | -179.2 | 66.7 | 0 | 0 | 0 | 112 | K31 R32 E38 T39 Y43 F48 V51 | K31-L35 PolarHBondContact O-N 3.14Å; R32-L35 PolarHBondContact O-N 3.47Å; L35-E38 PolarHBondContact O-N 2.75Å; L35-T39 VanDerWaalsContact O-CB 3.31Å; L35-T39 WeakPolarHBondContact O-CB 3.47Å; L35-T39 PolarHBondContact O-N 3.12Å; L35-T39 PolarHBondContact O-OG1 3Å; L35-Y43 HydrophobicContact CD2-CD2 3.95Å; L35-Y43 HydrophobicContact CD2-CE2 3.87Å; L35-Y43 HydrophobicContact CD2-CG 4.34Å; L35-Y43 HydrophobicContact CG-CD2 4.13Å; L35-Y43 HydrophobicContact CG-CE2 3.82Å; L35-F48 HydrophobicContact CD2-CD2 3.91Å; L35-F48 HydrophobicContact CD2-CE2 4.32Å; L35-V51 HydrophobicContact CD2-CG1 4.03Å |
| 36 | Q | 96.4 | Very high | 95.1 | Very high | 60 Ų | 60 | 87.5 Ų | 87.5 | 28% | 0.28 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -39.4 | 176.1 | 169.9 | 170 | -6 | 0 | 0 | 112 | R32 T33 L34 E38 G40 K41 I42 | R32-Q36 WeakPolarHBondContact O-CB 3.49Å; R32-Q36 PolarHBondContact O-N 3.14Å; T33-Q36 PolarHBondContact O-N 2.91Å; L34-Q36 VanDerWaalsContact C-N 3.27Å; L34-Q36 PolarHBondContact O-N 2.91Å; Q36-E38 VanDerWaalsContact C-N 3.34Å; Q36-G40 WeakPolarHBondContact O-CA 3.45Å; Q36-G40 PolarHBondContact O-N 3.29Å; Q36-K41 WeakPolarHBondContact CA-O 3.36Å; Q36-K41 WeakPolarHBondContact CB-O 3.22Å; Q36-K41 WeakPolarHBondContact CG-O 3.42Å; Q36-I42 VanDerWaalsContact NE2-CG1 3.27Å |
| 37 | C | 96.3 | Very high | 95.1 | Very high | 102 Ų | 102 | 88.1 Ų | 88.1 | 69% | 0.689 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.5 | -40 | 173.4 | -68.2 | 0 | 0 | 0 | 0 | 111.8 | T33 L34 | T33-C37 PolarHBondContact O-N 3.36Å; T33-C37 PolarHBondContact O-SG 2.89Å; T33-C37 VanDerWaalsContact O-SG 3.33Å; L34-C37 WeakPolarHBondContact O-CB 3.4Å; L34-C37 PolarHBondContact O-N 3.39Å; L34-C37 VanDerWaalsContact O-N 3.14Å |
| 38 | E | 94.6 | Very high | 95 | Very high | 166 Ų | 166 | 82.8 Ų | 82.8 | 78% | 0.776 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.8 | -42.9 | 178.2 | -174.8 | 176.5 | -174.7 | 0 | 0 | 112.1 | L34 L35 Q36 | L34-E38 PolarHBondContact O-N 2.65Å; L35-E38 PolarHBondContact O-N 2.75Å; Q36-E38 VanDerWaalsContact C-N 3.34Å |
| 39 | T | 94.6 | Very high | 95 | Very high | 60 Ų | 60 | 85.4 Ų | 85.4 | 37% | 0.368 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -95.1 | -17.2 | -172 | -43.1 | 0 | 0 | 0 | 0 | 113.3 | L35 K41 Y43 | L35-T39 VanDerWaalsContact O-CB 3.31Å; L35-T39 WeakPolarHBondContact O-CB 3.47Å; L35-T39 PolarHBondContact O-N 3.12Å; L35-T39 PolarHBondContact O-OG1 3Å; T39-K41 HydrophobicContact CG2-CB 4.34Å; T39-K41 HydrophobicContact CG2-CD 4.16Å; T39-K41 HydrophobicContact CG2-CG 4.19Å; T39-K41 PolarHBondContact O-N 3.44Å; T39-Y43 HydrophobicContact CG2-CE2 4.42Å; T39-Y43 WeakPolarHBondContact CG2-OH 3.42Å |
| 40 | G | 95.9 | Very high | 94.9 | Very high | 70 Ų | 70 | 88.2 Ų | 88.2 | 72% | 0.722 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 69.8 | 8.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q36 | Q36-G40 WeakPolarHBondContact O-CA 3.45Å; Q36-G40 PolarHBondContact O-N 3.29Å |
| 41 | K | 95.1 | Very high | 94.7 | Very high | 134 Ų | 134 | 84.7 Ų | 84.7 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | trans | -111.9 | 136.7 | -177.1 | -66.7 | -176.5 | -177.5 | -179.6 | 0 | 111.2 | Q36 T39 Y43 | Q36-K41 WeakPolarHBondContact CA-O 3.36Å; Q36-K41 WeakPolarHBondContact CB-O 3.22Å; Q36-K41 WeakPolarHBondContact CG-O 3.42Å; T39-K41 HydrophobicContact CG2-CB 4.34Å; T39-K41 HydrophobicContact CG2-CD 4.16Å; T39-K41 HydrophobicContact CG2-CG 4.19Å; T39-K41 PolarHBondContact O-N 3.44Å; K41-Y43 HydrophobicContact CB-CE2 3.97Å; K41-Y43 WeakPolarHBondContact O-CD2 3.44Å; K41-Y43 WeakPolarHBondContact O-CE2 3.19Å | ||
| 42 | I | 94.6 | Very high | 94.4 | Very high | 139 Ų | 139 | 82 Ų | 82 | 71% | 0.713 | 43% | 0.43 | S | S | * | . | trans | -74.8 | 126.7 | 172.4 | -60.6 | 160.5 | 0 | 0 | 0 | 108 | Q36 | Q36-I42 VanDerWaalsContact NE2-CG1 3.27Š| ||
| 43 | Y | 93.5 | Very high | 94.1 | Very high | 39 Ų | 39 | 85.6 Ų | 85.6 | 15% | 0.153 | 45% | 0.447 | C | S | . | . | trans | -108.6 | 136.4 | 176.5 | -70.2 | -83.4 | 0 | 0 | 0 | 111.3 | R32 L35 T39 K41 E47 V51 | R32-Y43 WeakPolarHBondContact CD-O 3.49Å; R32-Y43 PolarHBondContact NH1-O 2.74Å; R32-Y43 VanDerWaalsContact NH1-O 3.14Å; L35-Y43 HydrophobicContact CD2-CD2 3.95Å; L35-Y43 HydrophobicContact CD2-CE2 3.87Å; L35-Y43 HydrophobicContact CD2-CG 4.34Å; L35-Y43 HydrophobicContact CG-CD2 4.13Å; L35-Y43 HydrophobicContact CG-CE2 3.82Å; T39-Y43 HydrophobicContact CG2-CE2 4.42Å; T39-Y43 WeakPolarHBondContact CG2-OH 3.42Å; K41-Y43 HydrophobicContact CB-CE2 3.97Å; K41-Y43 WeakPolarHBondContact O-CD2 3.44Å; K41-Y43 WeakPolarHBondContact O-CE2 3.19Å; Y43-E47 HydrophobicContact CD1-CB 4.12Å; Y43-V51 HydrophobicContact CE1-CG2 4.4Å | ||
| 44 | S | 95.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 86.9 Ų | 86.9 | 43% | 0.427 | 46% | 0.455 | S | S | . | . | trans | -70.7 | 157.3 | 163.9 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | K46 E47 F48 | S44-K46 PolarHBondContact O-N 2.74Å; S44-E47 WeakPolarHBondContact CB-OE2 3.44Å; S44-E47 PolarHBondContact N-OE2 3.02Å; S44-E47 PolarHBondContact O-N 3.24Å; S44-F48 WeakPolarHBondContact O-CB 3.38Å; S44-F48 PolarHBondContact O-N 3.13Å | ||
| 45 | I | 91.8 | Very high | 93.2 | Very high | 75 Ų | 75 | 87.9 Ų | 87.9 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.2 | -37.2 | 175.6 | -115.7 | 82.3 | 0 | 0 | 0 | 111.2 | K49 | I45-K49 VanDerWaalsContact O-CG 3.31Å; I45-K49 WeakPolarHBondContact O-CG 3.23Å; I45-K49 PolarHBondContact O-N 2.75Å; I45-K49 VanDerWaalsContact O-N 3.13Å |
| 46 | K | 93.8 | Very high | 92.5 | Very high | 169 Ų | 169 | 90.9 Ų | 90.9 | 74% | 0.735 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.2 | -46.7 | -177.6 | -66.4 | -177.7 | -179.1 | 176.8 | 0 | 111.2 | S44 K49 E50 | S44-K46 PolarHBondContact O-N 2.74Å; K46-K49 PolarHBondContact O-N 3.31Å; K46-E50 PolarHBondContact O-N 3.49Å; K46-E50 VanDerWaalsContact O-N 3.08Å |
| 47 | E | 94.8 | Very high | 91.4 | Very high | 94 Ų | 94 | 92.8 Ų | 92.8 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 178.5 | -62.1 | 169.9 | 152.9 | 0 | 0 | 110.8 | Y43 S44 K49 E50 V51 | Y43-E47 HydrophobicContact CD1-CB 4.12Å; S44-E47 WeakPolarHBondContact CB-OE2 3.44Å; S44-E47 PolarHBondContact N-OE2 3.02Å; S44-E47 PolarHBondContact O-N 3.24Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 3.2Å; E47-E50 WeakPolarHBondContact O-CB 3.31Å; E47-E50 PolarHBondContact O-N 2.89Å; E47-V51 WeakPolarHBondContact O-CG2 3.2Å; E47-V51 PolarHBondContact O-N 2.96Å |
| 48 | F | 94.4 | Very high | 90.5 | Very high | 12 Ų | 12 | 92.7 Ų | 92.7 | 5% | 0.053 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -57.5 | -42 | 175.4 | 174.8 | -100.2 | 0 | 0 | 0 | 111.7 | D28 K31 R32 L35 S44 E50 V51 E52 | D28-F48 HydrophobicContact CB-CE1 4.21Å; K31-F48 HydrophobicContact CB-CE1 4.27Å; K31-F48 HydrophobicContact CB-CE2 3.85Å; K31-F48 HydrophobicContact CB-CZ 3.36Å; K31-F48 HydrophobicContact CD-CZ 3.94Å; K31-F48 HydrophobicContact CG-CZ 4.36Å; R32-F48 HydrophobicContact CB-CB 4.41Å; R32-F48 HydrophobicContact CB-CD1 4.36Å; R32-F48 HydrophobicContact CB-CD2 3.8Å; R32-F48 HydrophobicContact CB-CE2 4.21Å; R32-F48 HydrophobicContact CB-CG 3.9Å; R32-F48 HydrophobicContact CG-CB 4.18Å; R32-F48 HydrophobicContact CG-CD2 4.22Å; R32-F48 HydrophobicContact CG-CG 4.19Å; L35-F48 HydrophobicContact CD2-CD2 3.91Å; L35-F48 HydrophobicContact CD2-CE2 4.32Å; S44-F48 WeakPolarHBondContact O-CB 3.38Å; S44-F48 PolarHBondContact O-N 3.13Å; F48-E50 VanDerWaalsContact C-N 3.29Å; F48-E50 PolarHBondContact O-N 2.76Å; F48-V51 PolarHBondContact O-N 2.82Å; F48-E52 WeakPolarHBondContact O-CB 3.48Å; F48-E52 PolarHBondContact O-N 3.47Å |
| 49 | K | 93.8 | Very high | 89.6 | Confident | 65 Ų | 65 | 93.9 Ų | 93.9 | 28% | 0.283 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.6 | -30.3 | 176.7 | -74.3 | -72.8 | 163.2 | -158.7 | 0 | 113.1 | D28 I45 K46 E47 E52 K53 | D28-K49 IonicContact OD1-NZ 2.92Å; D28-K49 PolarHBondContact OD1-NZ 2.92Å; D28-K49 WeakPolarHBondContact OD2-CE 3.03Å; D28-K49 IonicContact OD2-NZ 3.44Å; D28-K49 PolarHBondContact OD2-NZ 3.37Å; I45-K49 VanDerWaalsContact O-CG 3.31Å; I45-K49 WeakPolarHBondContact O-CG 3.23Å; I45-K49 PolarHBondContact O-N 2.75Å; I45-K49 VanDerWaalsContact O-N 3.13Å; K46-K49 PolarHBondContact O-N 3.31Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 3.2Å; K49-E52 IonicContact NZ-OE2 2.76Å; K49-E52 PolarHBondContact NZ-OE2 3.26Å; K49-K53 VanDerWaalsContact O-CG 3.23Å; K49-K53 WeakPolarHBondContact O-CG 3.32Å; K49-K53 PolarHBondContact O-N 3.31Å; K49-K53 VanDerWaalsContact O-N 3.16Å |
| 50 | E | 93.6 | Very high | 88.2 | Confident | 126 Ų | 126 | 96.5 Ų | 96.5 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.7 | -45.9 | 173.5 | -172.9 | 174.3 | 178 | 0 | 0 | 111.5 | K46 E47 F48 E52 K53 V54 | K46-E50 PolarHBondContact O-N 3.49Å; K46-E50 VanDerWaalsContact O-N 3.08Å; E47-E50 WeakPolarHBondContact O-CB 3.31Å; E47-E50 PolarHBondContact O-N 2.89Å; F48-E50 VanDerWaalsContact C-N 3.29Å; F48-E50 PolarHBondContact O-N 2.76Å; E50-E52 VanDerWaalsContact C-N 3.32Å; E50-E52 PolarHBondContact O-N 2.86Å; E50-K53 WeakPolarHBondContact O-CB 3.49Å; E50-K53 PolarHBondContact O-N 2.79Å; E50-K53 VanDerWaalsContact O-N 3.12Å; E50-V54 WeakPolarHBondContact O-CG2 3.01Å; E50-V54 PolarHBondContact O-N 3.4Å |
| 51 | V | 91.4 | Very high | 86.9 | Confident | 52 Ų | 52 | 98.5 Ų | 98.5 | 32% | 0.315 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.4 | -45 | 174.8 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | L35 Y43 E47 F48 K53 V54 Q55 | L35-V51 HydrophobicContact CD2-CG1 4.03Å; Y43-V51 HydrophobicContact CE1-CG2 4.4Å; E47-V51 WeakPolarHBondContact O-CG2 3.2Å; E47-V51 PolarHBondContact O-N 2.96Å; F48-V51 PolarHBondContact O-N 2.82Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 PolarHBondContact O-N 2.95Å; V51-V54 PolarHBondContact O-N 3.43Å; V51-Q55 WeakPolarHBondContact O-CB 3.4Å; V51-Q55 PolarHBondContact O-N 3.38Å |
| 52 | E | 89.8 | Confident | 85.3 | Confident | 37 Ų | 37 | 99 Ų | 99 | 17% | 0.173 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 177 | -168.6 | 174.1 | -146.8 | 0 | 0 | 111.2 | K31 F48 K49 E50 Q55 L56 | K31-E52 IonicContact NZ-OE1 3.92Å; K31-E52 PolarHBondContact NZ-OE1 3.35Å; F48-E52 WeakPolarHBondContact O-CB 3.48Å; F48-E52 PolarHBondContact O-N 3.47Å; K49-E52 IonicContact NZ-OE2 2.76Å; K49-E52 PolarHBondContact NZ-OE2 3.26Å; E50-E52 VanDerWaalsContact C-N 3.32Å; E50-E52 PolarHBondContact O-N 2.86Å; E52-Q55 PolarHBondContact O-N 3.32Å; E52-L56 WeakPolarHBondContact O-CB 3.38Å; E52-L56 VanDerWaalsContact O-CG 3.22Å; E52-L56 WeakPolarHBondContact O-CG 3.32Å; E52-L56 PolarHBondContact O-N 2.86Å |
| 53 | K | 88.8 | Confident | 83.8 | Confident | 129 Ų | 129 | 98.2 Ų | 98.2 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.4 | -48.1 | 173.9 | -74.4 | 169.7 | -176.2 | -179.7 | 0 | 111.8 | K49 E50 V51 Q55 L56 H57 | K49-K53 VanDerWaalsContact O-CG 3.23Å; K49-K53 WeakPolarHBondContact O-CG 3.32Å; K49-K53 PolarHBondContact O-N 3.31Å; K49-K53 VanDerWaalsContact O-N 3.16Å; E50-K53 WeakPolarHBondContact O-CB 3.49Å; E50-K53 PolarHBondContact O-N 2.79Å; E50-K53 VanDerWaalsContact O-N 3.12Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 PolarHBondContact O-N 2.95Å; K53-Q55 VanDerWaalsContact C-N 3.28Å; K53-Q55 PolarHBondContact O-N 3.45Å; K53-L56 PolarHBondContact O-N 3.3Å; K53-H57 WeakPolarHBondContact O-CB 3.09Å; K53-H57 PolarHBondContact O-CD2 3.45Å; K53-H57 PolarHBondContact O-N 2.69Å |
| 54 | V | 89.1 | Confident | 82 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.6 | -41.5 | 179.2 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | E50 V51 H57 S58 | E50-V54 WeakPolarHBondContact O-CG2 3.01Å; E50-V54 PolarHBondContact O-N 3.4Å; V51-V54 PolarHBondContact O-N 3.43Å; V54-H57 CarbonylContact O-C 3.57Å; V54-H57 PolarHBondContact O-N 3.06Å; V54-S58 PolarHBondContact O-N 3.14Å |
| 55 | Q | 85.8 | Confident | 80.1 | Confident | 131 Ų | 131 | 102 Ų | 102 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -36.1 | 176.6 | -166.8 | 179.2 | 26.6 | 0 | 0 | 112.7 | V51 E52 K53 S58 R59 | V51-Q55 WeakPolarHBondContact O-CB 3.4Å; V51-Q55 PolarHBondContact O-N 3.38Å; E52-Q55 PolarHBondContact O-N 3.32Å; K53-Q55 VanDerWaalsContact C-N 3.28Å; K53-Q55 PolarHBondContact O-N 3.45Å; Q55-S58 PolarHBondContact O-N 3.49Å; Q55-S58 PolarHBondContact O-OG 3.35Å; Q55-R59 WeakPolarHBondContact O-CB 3.45Å; Q55-R59 PolarHBondContact O-N 3.1Å; Q55-R59 VanDerWaalsContact O-N 3.08Å |
| 56 | L | 80.5 | Confident | 78.5 | Confident | 95 Ų | 95 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 172.6 | -73.5 | 172.5 | 0 | 0 | 0 | 111.6 | E52 K53 S58 R59 F60 | E52-L56 WeakPolarHBondContact O-CB 3.38Å; E52-L56 VanDerWaalsContact O-CG 3.22Å; E52-L56 WeakPolarHBondContact O-CG 3.32Å; E52-L56 PolarHBondContact O-N 2.86Å; K53-L56 PolarHBondContact O-N 3.3Å; L56-S58 VanDerWaalsContact C-N 3.34Å; L56-R59 PolarHBondContact O-N 3.49Å; L56-F60 PolarHBondContact O-N 3.06Å |
| 57 | H | 72.6 | Confident | 77 | Confident | 100 Ų | 100 | 98.6 Ų | 98.6 | 46% | 0.463 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.1 | -24.8 | 177.1 | -69.2 | -53.6 | 0 | 0 | 0 | 113.5 | K53 V54 F60 | K53-H57 WeakPolarHBondContact O-CB 3.09Å; K53-H57 PolarHBondContact O-CD2 3.45Å; K53-H57 PolarHBondContact O-N 2.69Å; V54-H57 CarbonylContact O-C 3.57Å; V54-H57 PolarHBondContact O-N 3.06Å; H57-F60 CarbonylContact C-O 3.49Å |
| 58 | S | 76.6 | Confident | 75.5 | Confident | 99 Ų | 99 | 102 Ų | 102 | 69% | 0.692 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.8 | -37.2 | 171.7 | 72.5 | 0 | 0 | 0 | 0 | 111.7 | V54 Q55 L56 | V54-S58 PolarHBondContact O-N 3.14Å; Q55-S58 PolarHBondContact O-N 3.49Å; Q55-S58 PolarHBondContact O-OG 3.35Å; L56-S58 VanDerWaalsContact C-N 3.34Å |
| 59 | R | 75.8 | Confident | 73.9 | Confident | 191 Ų | 191 | 110.4 Ų | 110.4 | 72% | 0.721 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75.5 | -35.8 | -179.8 | -173.4 | 174.4 | -179.2 | 178 | 2.5 | 113 | Q55 L56 | Q55-R59 WeakPolarHBondContact O-CB 3.45Å; Q55-R59 PolarHBondContact O-N 3.1Å; Q55-R59 VanDerWaalsContact O-N 3.08Å; L56-R59 PolarHBondContact O-N 3.49Å |
| 60 | F | 66.3 | Low | 73 | Confident | 116 Ų | 116 | 109.6 Ų | 109.6 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -125.1 | 131.5 | -178.2 | -61.8 | -71.6 | 0 | 0 | 0 | 109.8 | L56 H57 Q62 | L56-F60 PolarHBondContact O-N 3.06Å; H57-F60 CarbonylContact C-O 3.49Å; F60-Q62 PolarHBondContact O-N 3.09Å |
| 61 | P | 69 | Low | 72.2 | Confident | 112 Ų | 112 | 107 Ų | 107 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | trans | -48.4 | 136.9 | 169.2 | -23 | 31.5 | 0 | 0 | 0 | 109.1 | I63 | P61-I63 VanDerWaalsContact C-N 3.27Å; P61-I63 PolarHBondContact O-N 3.22Å | ||
| 62 | Q | 61.3 | Low | 71.4 | Confident | 144 Ų | 144 | 109.3 Ų | 109.3 | 67% | 0.673 | 56% | 0.556 | S | S | * | * | trans | -61.1 | 96.7 | 175.1 | -166.3 | 175.7 | 17.9 | 0 | 0 | 107.3 | F60 S64 | F60-Q62 PolarHBondContact O-N 3.09Å; Q62-S64 PolarHBondContact O-N 3.45Å | ||
| 63 | I | 61.6 | Low | 70.8 | Confident | 122 Ų | 122 | 113 Ų | 113 | 63% | 0.626 | 58% | 0.576 | S | S | * | * | trans | -68.7 | 82.7 | 171.1 | 49.2 | 158.5 | 0 | 0 | 0 | 106.5 | P61 N65 | P61-I63 VanDerWaalsContact C-N 3.27Å; P61-I63 PolarHBondContact O-N 3.22Å; I63-N65 PolarHBondContact O-N 3.01Å | ||
| 64 | S | 55.7 | Low | 70.2 | Confident | 95 Ų | 95 | 111.5 Ų | 111.5 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -61.8 | 3.2 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | Q62 | Q62-S64 PolarHBondContact O-N 3.45Š|
| 65 | N | 55.3 | Low | 69.4 | Low | 85 Ų | 85 | 109.3 Ų | 109.3 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | trans | -138.9 | 50.9 | -163.6 | -83.9 | -54 | 0 | 0 | 0 | 109.4 | I63 R67 Y82 | I63-N65 PolarHBondContact O-N 3.01Å; N65-R67 PolarHBondContact O-N 3.1Å; N65-Y82 HydrophobicContact CB-CE2 4.15Å; N65-Y82 WeakPolarHBondContact CB-OH 3.27Å; N65-Y82 PolarHBondContact OD1-OH 3.36Å | ||
| 66 | S | 59.3 | Low | 68.8 | Low | 48 Ų | 48 | 106 Ų | 106 | 34% | 0.336 | 54% | 0.54 | S | S | . | . | trans | -62.5 | 127.4 | 170.9 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | H68 | S66-H68 PolarHBondContact O-N 2.94Å; S66-H68 VanDerWaalsContact OG-CB 3.3Å; S66-H68 WeakPolarHBondContact OG-CB 3.3Å; S66-H68 PolarHBondContact OG-N 3.47Å; S66-H68 PolarHBondContact OG-ND1 3.34Å | ||
| 67 | R | 62.3 | Low | 68.6 | Low | 125 Ų | 125 | 109.8 Ų | 109.8 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -64.3 | -3 | 174.5 | -40.1 | 179.5 | -147.6 | -152.4 | 8.8 | 113 | N65 F69 I70 W75 C88 | N65-R67 PolarHBondContact O-N 3.1Å; R67-F69 PolarHBondContact O-N 3.19Å; R67-F69 VanDerWaalsContact O-N 3.17Å; R67-I70 PolarHBondContact O-N 3.47Å; R67-W75 HydrophobicContact CB-CE3 4.23Å; R67-W75 HydrophobicContact CB-CZ3 4.05Å; R67-W75 HydrophobicContact CG-CE3 4.07Å; R67-W75 HydrophobicContact CG-CH2 3.71Å; R67-W75 HydrophobicContact CG-CZ3 3.42Å; R67-W75 VanDerWaalsContact CG-CZ3 3.42Å; R67-C88 PolarHBondContact NH1-SG 3.14Å; R67-C88 PolarHBondContact NH2-SG 3.39Å; R67-C88 VanDerWaalsContact NH2-SG 3.36Å |
| 68 | H | 62.7 | Low | 68.6 | Low | 165 Ų | 165 | 106.9 Ų | 106.9 | 76% | 0.764 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -60.4 | -23.4 | -175.2 | -89.6 | 71.1 | 0 | 0 | 0 | 113.8 | S66 | S66-H68 PolarHBondContact O-N 2.94Å; S66-H68 VanDerWaalsContact OG-CB 3.3Å; S66-H68 WeakPolarHBondContact OG-CB 3.3Å; S66-H68 PolarHBondContact OG-N 3.47Å; S66-H68 PolarHBondContact OG-ND1 3.34Å |
| 69 | F | 61 | Low | 68.3 | Low | 188 Ų | 188 | 106.4 Ų | 106.4 | 83% | 0.825 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -111 | 7.4 | -178.5 | -60.8 | -70.2 | 0 | 0 | 0 | 114.1 | R67 | R67-F69 PolarHBondContact O-N 3.19Å; R67-F69 VanDerWaalsContact O-N 3.17Å |
| 70 | I | 74.6 | Confident | 67.7 | Low | 48 Ų | 48 | 101 Ų | 101 | 25% | 0.246 | 52% | 0.523 | C | S | . | . | S | Bend | trans | -104 | 121.3 | -176.2 | -56.2 | -176.8 | 0 | 0 | 0 | 109 | R67 E74 W75 L78 | R67-I70 PolarHBondContact O-N 3.47Å; I70-E74 HydrophobicContact CG2-CB 3.7Å; I70-W75 HydrophobicContact CD1-CE3 4.37Å; I70-W75 HydrophobicContact CG2-CB 3.92Å; I70-W75 HydrophobicContact CG2-CE3 4.38Å; I70-W75 VanDerWaalsContact CG2-N 3.29Å; I70-L78 HydrophobicContact CD1-CD1 3.79Å |
| 71 | T | 77.6 | Confident | 67.5 | Low | 72 Ų | 72 | 107.4 Ų | 107.4 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | trans | -59.8 | 144.3 | 175.9 | -51 | 0 | 0 | 0 | 0 | 109.6 | N73 E74 W75 | T71-N73 PolarHBondContact O-N 3.26Å; T71-E74 VanDerWaalsContact CB-OE2 3.25Å; T71-E74 WeakPolarHBondContact CB-OE2 3.37Å; T71-E74 PolarHBondContact N-OE2 2.87Å; T71-E74 VanDerWaalsContact N-OE2 3.15Å; T71-E74 PolarHBondContact O-N 3.14Å; T71-E74 PolarHBondContact OG1-OE2 3.5Å; T71-W75 PolarHBondContact O-N 2.94Å | ||
| 72 | P | 73.6 | Confident | 67.2 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -50.5 | -34.5 | 179.6 | -30.7 | 35.9 | 0 | 0 | 0 | 114.6 | W75 L76 | P72-W75 WeakPolarHBondContact O-CB 3.37Å; P72-L76 WeakPolarHBondContact O-CG 3.41Å; P72-L76 PolarHBondContact O-N 2.76Å |
| 73 | N | 76.6 | Confident | 67.1 | Low | 114 Ų | 114 | 99.7 Ų | 99.7 | 61% | 0.61 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.2 | -37.3 | 176.4 | -68.1 | -26.6 | 0 | 0 | 0 | 113.3 | T71 W75 L76 K77 | T71-N73 PolarHBondContact O-N 3.26Å; N73-W75 VanDerWaalsContact C-N 3.29Å; N73-L76 WeakPolarHBondContact O-CB 3.48Å; N73-L76 PolarHBondContact O-N 2.74Å; N73-K77 PolarHBondContact O-N 3.49Å |
| 74 | E | 76.7 | Confident | 67.1 | Low | 98 Ų | 98 | 102.8 Ų | 102.8 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.2 | -34 | 174.5 | -67.2 | 171.2 | 153.3 | 0 | 0 | 110.8 | I70 T71 L76 K77 L78 | I70-E74 HydrophobicContact CG2-CB 3.7Å; T71-E74 VanDerWaalsContact CB-OE2 3.25Å; T71-E74 WeakPolarHBondContact CB-OE2 3.37Å; T71-E74 PolarHBondContact N-OE2 2.87Å; T71-E74 VanDerWaalsContact N-OE2 3.15Å; T71-E74 PolarHBondContact O-N 3.14Å; T71-E74 PolarHBondContact OG1-OE2 3.5Å; E74-L76 PolarHBondContact O-N 2.74Å; E74-K77 WeakPolarHBondContact O-CA 3.49Å; E74-K77 WeakPolarHBondContact O-CB 3.41Å; E74-K77 PolarHBondContact O-N 2.63Å; E74-L78 PolarHBondContact O-N 3.17Å |
| 75 | W | 73.1 | Confident | 67.8 | Low | 48 Ų | 48 | 100.6 Ų | 100.6 | 18% | 0.182 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -59.3 | -34.4 | 171.6 | 179.1 | -99.7 | 0 | 0 | 0 | 111.7 | R67 I70 T71 P72 N73 K77 L78 Y82 I83 R92 | R67-W75 HydrophobicContact CB-CE3 4.23Å; R67-W75 HydrophobicContact CB-CZ3 4.05Å; R67-W75 HydrophobicContact CG-CE3 4.07Å; R67-W75 HydrophobicContact CG-CH2 3.71Å; R67-W75 HydrophobicContact CG-CZ3 3.42Å; R67-W75 VanDerWaalsContact CG-CZ3 3.42Å; I70-W75 HydrophobicContact CD1-CE3 4.37Å; I70-W75 HydrophobicContact CG2-CB 3.92Å; I70-W75 HydrophobicContact CG2-CE3 4.38Å; I70-W75 VanDerWaalsContact CG2-N 3.29Å; T71-W75 PolarHBondContact O-N 2.94Å; P72-W75 WeakPolarHBondContact O-CB 3.37Å; N73-W75 VanDerWaalsContact C-N 3.29Å; W75-K77 VanDerWaalsContact C-N 3.25Å; W75-K77 PolarHBondContact O-N 2.98Å; W75-L78 HydrophobicContact CD2-CD1 4.32Å; W75-L78 HydrophobicContact CE3-CD1 3.5Å; W75-L78 HydrophobicContact CH2-CD1 4.49Å; W75-L78 HydrophobicContact CZ3-CD1 3.59Å; W75-Y82 HydrophobicContact CZ3-CE1 4.45Å; W75-I83 HydrophobicContact CZ2-CD1 4.46Å; W75-I83 HydrophobicContact CZ2-CG1 4.42Å; W75-R92 PolarHBondContact O-NH1 3.25Å |
| 76 | L | 73.2 | Confident | 68.6 | Low | 62 Ų | 62 | 100.9 Ų | 100.9 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.4 | 174.3 | -65.1 | 174.8 | 0 | 0 | 0 | 114.1 | P72 N73 E74 R92 V95 | P72-L76 WeakPolarHBondContact O-CG 3.41Å; P72-L76 PolarHBondContact O-N 2.76Å; N73-L76 WeakPolarHBondContact O-CB 3.48Å; N73-L76 PolarHBondContact O-N 2.74Å; E74-L76 PolarHBondContact O-N 2.74Å; L76-R92 VanDerWaalsContact C-CZ 3.46Å; L76-R92 HydrophobicContact CD2-CG 3.94Å; L76-R92 PolarHBondContact O-NH2 3.43Å; L76-V95 HydrophobicContact CD1-CG1 3.78Å; L76-V95 HydrophobicContact CD2-CB 4.17Å; L76-V95 HydrophobicContact CD2-CG1 3.79Å; L76-V95 HydrophobicContact CG-CG1 4.41Å |
| 77 | K | 76.3 | Confident | 69 | Low | 174 Ų | 174 | 105.6 Ų | 105.6 | 76% | 0.757 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -21.6 | 175.1 | -63.6 | 177.4 | -177.5 | 178.8 | 0 | 113.6 | N73 E74 W75 | N73-K77 PolarHBondContact O-N 3.49Å; E74-K77 WeakPolarHBondContact O-CA 3.49Å; E74-K77 WeakPolarHBondContact O-CB 3.41Å; E74-K77 PolarHBondContact O-N 2.63Å; W75-K77 VanDerWaalsContact C-N 3.25Å; W75-K77 PolarHBondContact O-N 2.98Å |
| 78 | L | 72 | Confident | 69.3 | Low | 39 Ų | 39 | 100.4 Ų | 100.4 | 20% | 0.204 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -60.6 | 142.7 | -178.5 | -65.3 | 174.6 | 0 | 0 | 0 | 113 | I70 E74 W75 T80 Y82 R92 | I70-L78 HydrophobicContact CD1-CD1 3.79Å; E74-L78 PolarHBondContact O-N 3.17Å; W75-L78 HydrophobicContact CD2-CD1 4.32Å; W75-L78 HydrophobicContact CE3-CD1 3.5Å; W75-L78 HydrophobicContact CH2-CD1 4.49Å; W75-L78 HydrophobicContact CZ3-CD1 3.59Å; L78-T80 PolarHBondContact O-N 3.29Å; L78-Y82 HydrophobicContact CB-CD1 4.43Å; L78-Y82 HydrophobicContact CD1-CD1 4.01Å; L78-Y82 HydrophobicContact CD1-CE1 3.74Å; L78-R92 PolarHBondContact O-NH1 2.82Å; L78-R92 PolarHBondContact O-NH2 3Å |
| 79 | P | 70.5 | Confident | 69.7 | Low | 89 Ų | 89 | 97.8 Ų | 97.8 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | trans | -55.9 | 141.6 | 178.4 | -25.7 | 34.6 | 0 | 0 | 0 | 113 | R81 Y82 | P79-R81 PolarHBondContact O-N 3.43Å; P79-R81 VanDerWaalsContact O-N 3.14Å; P79-Y82 VanDerWaalsContact O-CB 3.32Å; P79-Y82 WeakPolarHBondContact O-CB 3.39Å; P79-Y82 PolarHBondContact O-N 3.16Å | ||
| 80 | T | 63.7 | Low | 70.4 | Confident | 78 Ų | 78 | 96.3 Ų | 96.3 | 48% | 0.479 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -62.2 | -24.6 | -179.9 | -48.1 | 0 | 0 | 0 | 0 | 112.7 | L78 Y82 I83 R89 | L78-T80 PolarHBondContact O-N 3.29Å; T80-Y82 VanDerWaalsContact C-N 3.27Å; T80-Y82 PolarHBondContact O-N 3.34Å; T80-I83 PolarHBondContact O-N 3.29Å; T80-R89 HydrophobicContact CG2-CG 3.98Å |
| 81 | R | 62 | Low | 70.2 | Confident | 249 Ų | 249 | 102.3 Ų | 102.3 | 94% | 0.94 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -70.4 | -19.9 | 177.4 | -60.8 | -175.1 | -178.9 | -140.6 | 2.3 | 113.7 | P79 I83 | P79-R81 PolarHBondContact O-N 3.43Å; P79-R81 VanDerWaalsContact O-N 3.14Å; R81-I83 PolarHBondContact O-N 3.23Å |
| 82 | Y | 61.4 | Low | 69.8 | Low | 78 Ų | 78 | 100.5 Ų | 100.5 | 31% | 0.306 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -78.4 | -9.3 | 178.5 | 177.4 | -96.8 | 0 | 0 | 0 | 112.8 | N65 W75 L78 P79 T80 E84 | N65-Y82 HydrophobicContact CB-CE2 4.15Å; N65-Y82 WeakPolarHBondContact CB-OH 3.27Å; N65-Y82 PolarHBondContact OD1-OH 3.36Å; W75-Y82 HydrophobicContact CZ3-CE1 4.45Å; L78-Y82 HydrophobicContact CB-CD1 4.43Å; L78-Y82 HydrophobicContact CD1-CD1 4.01Å; L78-Y82 HydrophobicContact CD1-CE1 3.74Å; P79-Y82 VanDerWaalsContact O-CB 3.32Å; P79-Y82 WeakPolarHBondContact O-CB 3.39Å; P79-Y82 PolarHBondContact O-N 3.16Å; T80-Y82 VanDerWaalsContact C-N 3.27Å; T80-Y82 PolarHBondContact O-N 3.34Å; Y82-E84 PolarHBondContact O-N 3.43Å |
| 83 | I | 60.6 | Low | 69.6 | Low | 17 Ų | 17 | 100.4 Ų | 100.4 | 9% | 0.087 | 46% | 0.458 | C | S | . | . | trans | -94.4 | 96.8 | -175.6 | -56.8 | 176.6 | 0 | 0 | 0 | 109 | W75 T80 R81 S85 C88 | W75-I83 HydrophobicContact CZ2-CD1 4.46Å; W75-I83 HydrophobicContact CZ2-CG1 4.42Å; T80-I83 PolarHBondContact O-N 3.29Å; R81-I83 PolarHBondContact O-N 3.23Å; I83-S85 PolarHBondContact O-N 3.47Å; I83-C88 HydrophobicContact CG2-CB 3.1Å | ||
| 84 | E | 60.8 | Low | 69.3 | Low | 187 Ų | 187 | 102.6 Ų | 102.6 | 87% | 0.874 | 46% | 0.462 | S | S | * | . | trans | -66 | -4.2 | -173.4 | -64.6 | 173.7 | 173.3 | 0 | 0 | 115.3 | Y82 | Y82-E84 PolarHBondContact O-N 3.43Š| ||
| 85 | S | 70.7 | Confident | 68.8 | Low | 48 Ų | 48 | 100.5 Ų | 100.5 | 34% | 0.336 | 46% | 0.456 | S | S | . | . | trans | -127.8 | 137.8 | 178.7 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | I83 F87 C88 R89 | I83-S85 PolarHBondContact O-N 3.47Å; S85-F87 PolarHBondContact O-N 2.84Å; S85-C88 PolarHBondContact O-N 3.42Å; S85-C88 WeakPolarHBondContact OG-CB 3.2Å; S85-C88 PolarHBondContact OG-SG 3.5Å; S85-R89 PolarHBondContact O-N 3.43Å; S85-R89 VanDerWaalsContact O-N 3.1Å | ||
| 86 | E | 71.2 | Confident | 68.3 | Low | 91 Ų | 91 | 104.9 Ų | 104.9 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -52.9 | -38.2 | 174.2 | -78.4 | -62.4 | 138.8 | 0 | 0 | 113.1 | C88 R89 R90 | E86-C88 PolarHBondContact O-N 2.62Å; E86-R89 PolarHBondContact O-N 2.91Å; E86-R89 IonicContact OE1-CZ 2.86Å; E86-R89 VanDerWaalsContact OE1-CZ 3.28Å; E86-R89 IonicContact OE1-NE 2.79Å; E86-R89 PolarHBondContact OE1-NE 2.95Å; E86-R89 IonicContact OE1-NH2 2.75Å; E86-R89 PolarHBondContact OE1-NH2 3.21Å; E86-R89 IonicContact OE2-CZ 3.49Å; E86-R89 IonicContact OE2-NE 2.89Å; E86-R89 PolarHBondContact OE2-NE 3.12Å; E86-R89 IonicContact OE2-NH2 2.77Å; E86-R89 PolarHBondContact OE2-NH2 3.3Å; E86-R90 WeakPolarHBondContact O-CG 3.3Å; E86-R90 PolarHBondContact O-N 3.43Å; E86-R90 IonicContact OE2-NH2 2.76Å |
| 87 | F | 69.2 | Low | 67.7 | Low | 148 Ų | 148 | 107.9 Ų | 107.9 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 177.2 | 179.2 | -98.4 | 0 | 0 | 0 | 112 | S85 R89 R90 R91 | S85-F87 PolarHBondContact O-N 2.84Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 3.29Å; F87-R90 PolarHBondContact O-N 3.23Å; F87-R91 PolarHBondContact O-N 3.11Å; F87-R91 VanDerWaalsContact O-N 3.09Å |
| 88 | C | 68.2 | Low | 66.9 | Low | 16 Ų | 16 | 104.3 Ų | 104.3 | 11% | 0.108 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -70.4 | -33.1 | -179 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | R67 I83 S85 E86 R92 | R67-C88 PolarHBondContact NH1-SG 3.14Å; R67-C88 PolarHBondContact NH2-SG 3.39Å; R67-C88 VanDerWaalsContact NH2-SG 3.36Å; I83-C88 HydrophobicContact CG2-CB 3.1Å; S85-C88 PolarHBondContact O-N 3.42Å; S85-C88 WeakPolarHBondContact OG-CB 3.2Å; S85-C88 PolarHBondContact OG-SG 3.5Å; E86-C88 PolarHBondContact O-N 2.62Å; C88-R92 PolarHBondContact O-N 3.17Å |
| 89 | R | 71.6 | Confident | 66.2 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 42% | 0.415 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -50.5 | 173.1 | -170.7 | 173.4 | 71.6 | 150.2 | 0.4 | 111.8 | T80 S85 E86 F87 R91 R92 L93 | T80-R89 HydrophobicContact CG2-CG 3.98Å; S85-R89 PolarHBondContact O-N 3.43Å; S85-R89 VanDerWaalsContact O-N 3.1Å; E86-R89 PolarHBondContact O-N 2.91Å; E86-R89 IonicContact OE1-CZ 2.86Å; E86-R89 VanDerWaalsContact OE1-CZ 3.28Å; E86-R89 IonicContact OE1-NE 2.79Å; E86-R89 PolarHBondContact OE1-NE 2.95Å; E86-R89 IonicContact OE1-NH2 2.75Å; E86-R89 PolarHBondContact OE1-NH2 3.21Å; E86-R89 IonicContact OE2-CZ 3.49Å; E86-R89 IonicContact OE2-NE 2.89Å; E86-R89 PolarHBondContact OE2-NE 3.12Å; E86-R89 IonicContact OE2-NH2 2.77Å; E86-R89 PolarHBondContact OE2-NH2 3.3Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 3.29Å; R89-R91 PolarHBondContact O-N 3.25Å; R89-R92 PolarHBondContact O-N 3.17Å; R89-L93 PolarHBondContact O-N 3.11Å; R89-L93 VanDerWaalsContact O-N 3.16Å |
| 90 | R | 74.4 | Confident | 65.7 | Low | 157 Ų | 157 | 112.1 Ų | 112.1 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -42.8 | 179.5 | -70.9 | 178 | -170 | 144.4 | 4.9 | 112.6 | E86 F87 R92 L93 K94 | E86-R90 WeakPolarHBondContact O-CG 3.3Å; E86-R90 PolarHBondContact O-N 3.43Å; E86-R90 IonicContact OE2-NH2 2.76Å; F87-R90 PolarHBondContact O-N 3.23Å; R90-R92 VanDerWaalsContact C-N 3.32Å; R90-R92 PolarHBondContact O-N 2.85Å; R90-L93 PolarHBondContact O-N 3.36Å; R90-K94 WeakPolarHBondContact O-CG 3.48Å; R90-K94 PolarHBondContact O-N 3.15Å |
| 91 | R | 69.9 | Low | 65.2 | Low | 173 Ų | 173 | 116.1 Ų | 116.1 | 65% | 0.653 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.5 | -40.5 | 178.2 | -171.9 | 178.1 | -177.9 | -170.4 | 1.2 | 111.9 | F87 R89 K94 V95 | F87-R91 PolarHBondContact O-N 3.11Å; F87-R91 VanDerWaalsContact O-N 3.09Å; R89-R91 PolarHBondContact O-N 3.25Å; R91-K94 WeakPolarHBondContact O-CB 3.46Å; R91-K94 PolarHBondContact O-N 3.35Å; R91-V95 PolarHBondContact O-N 3.42Å |
| 92 | R | 69 | Low | 64.9 | Low | 34 Ų | 34 | 108.6 Ų | 108.6 | 13% | 0.128 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -70.7 | -36.9 | -179.5 | -174 | 163.1 | 173.9 | -168.2 | -21.4 | 113.2 | W75 L76 L78 C88 R89 R90 K94 V95 K96 | W75-R92 PolarHBondContact O-NH1 3.25Å; L76-R92 VanDerWaalsContact C-CZ 3.46Å; L76-R92 HydrophobicContact CD2-CG 3.94Å; L76-R92 PolarHBondContact O-NH2 3.43Å; L78-R92 PolarHBondContact O-NH1 2.82Å; L78-R92 PolarHBondContact O-NH2 3Å; C88-R92 PolarHBondContact O-N 3.17Å; R89-R92 PolarHBondContact O-N 3.17Å; R90-R92 VanDerWaalsContact C-N 3.32Å; R90-R92 PolarHBondContact O-N 2.85Å; R92-K94 PolarHBondContact O-N 3.34Å; R92-V95 CarbonylContact O-C 3.52Å; R92-V95 PolarHBondContact O-N 3.28Å; R92-V95 VanDerWaalsContact O-N 3.11Å; R92-K96 PolarHBondContact O-N 2.92Å |
| 93 | L | 71 | Confident | 64.6 | Low | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.8 | -36.9 | 174 | -70 | 172.1 | 0 | 0 | 0 | 111.4 | R89 R90 V95 K96 V97 | R89-L93 PolarHBondContact O-N 3.11Å; R89-L93 VanDerWaalsContact O-N 3.16Å; R90-L93 PolarHBondContact O-N 3.36Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.37Å; L93-K96 PolarHBondContact O-N 2.92Å; L93-V97 VanDerWaalsContact O-CG2 3.27Å; L93-V97 WeakPolarHBondContact O-CG2 3.11Å; L93-V97 PolarHBondContact O-N 3Å |
| 94 | K | 70 | Confident | 64.4 | Low | 160 Ų | 160 | 117.4 Ų | 117.4 | 70% | 0.696 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.6 | -35.7 | 174.6 | -64.5 | 178.7 | 179.2 | -169.2 | 0 | 113.2 | R90 R91 R92 | R90-K94 WeakPolarHBondContact O-CG 3.48Å; R90-K94 PolarHBondContact O-N 3.15Å; R91-K94 WeakPolarHBondContact O-CB 3.46Å; R91-K94 PolarHBondContact O-N 3.35Å; R92-K94 PolarHBondContact O-N 3.34Å |
| 95 | V | 66.8 | Low | 64.2 | Low | 55 Ų | 55 | 113.6 Ų | 113.6 | 33% | 0.333 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -85.2 | -16.7 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | L76 R91 R92 L93 V97 N98 | L76-V95 HydrophobicContact CD1-CG1 3.78Å; L76-V95 HydrophobicContact CD2-CB 4.17Å; L76-V95 HydrophobicContact CD2-CG1 3.79Å; L76-V95 HydrophobicContact CG-CG1 4.41Å; R91-V95 PolarHBondContact O-N 3.42Å; R92-V95 CarbonylContact O-C 3.52Å; R92-V95 PolarHBondContact O-N 3.28Å; R92-V95 VanDerWaalsContact O-N 3.11Å; L93-V95 VanDerWaalsContact C-N 3.33Å; L93-V95 PolarHBondContact O-N 3.37Å; V95-V97 VanDerWaalsContact C-N 3.31Å; V95-N98 WeakPolarHBondContact CA-OD1 3.25Å; V95-N98 PolarHBondContact O-OD1 2.59Å |
| 96 | K | 61.7 | Low | 63.8 | Low | 139 Ų | 139 | 118.7 Ų | 118.7 | 60% | 0.604 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.7 | -26 | 169.2 | -169.3 | 173.9 | 175.5 | -179.8 | 0 | 111 | R92 L93 F99 | R92-K96 PolarHBondContact O-N 2.92Å; L93-K96 PolarHBondContact O-N 2.92Å; K96-F99 HydrophobicContact CG-CE2 3.74Å; K96-F99 HydrophobicContact CG-CZ 4.45Å; K96-F99 WeakPolarHBondContact O-CD2 2.92Å; K96-F99 WeakPolarHBondContact O-CE2 3.35Å |
| 97 | V | 59.8 | Low | 63.4 | Low | 126 Ų | 126 | 121.3 Ų | 121.3 | 76% | 0.764 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -18.8 | -178.4 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | L93 V95 F99 | L93-V97 VanDerWaalsContact O-CG2 3.27Å; L93-V97 WeakPolarHBondContact O-CG2 3.11Å; L93-V97 PolarHBondContact O-N 3Å; V95-V97 VanDerWaalsContact C-N 3.31Å; V97-F99 PolarHBondContact O-N 3.48Å |
| 98 | N | 60.1 | Low | 62.7 | Low | 98 Ų | 98 | 120 Ų | 120 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.8 | 32.4 | -178.8 | 70.5 | -10.3 | 0 | 0 | 0 | 113.5 | V95 N100 | V95-N98 WeakPolarHBondContact CA-OD1 3.25Å; V95-N98 PolarHBondContact O-OD1 2.59Å; N98-N100 PolarHBondContact O-N 3.47Å |
| 99 | F | 58.1 | Low | 61.9 | Low | 148 Ų | 148 | 127.1 Ų | 127.1 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | trans | -55.2 | 118.6 | 160.2 | -71.9 | -72.3 | 0 | 0 | 0 | 106.6 | K96 V97 D101 | K96-F99 HydrophobicContact CG-CE2 3.74Å; K96-F99 HydrophobicContact CG-CZ 4.45Å; K96-F99 WeakPolarHBondContact O-CD2 2.92Å; K96-F99 WeakPolarHBondContact O-CE2 3.35Å; V97-F99 PolarHBondContact O-N 3.48Å; F99-D101 PolarHBondContact O-N 3.18Å; F99-D101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | N | 60.1 | Low | 60.8 | Low | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 65% | 0.649 | S | S | * | * | trans | -52.2 | 123.5 | 165.5 | -69.5 | -20 | 0 | 0 | 0 | 105.6 | N98 C102 | N98-N100 PolarHBondContact O-N 3.47Å; N100-C102 PolarHBondContact O-N 3.32Å | ||
| 101 | D | 53.5 | Low | 59.8 | Low | 163 Ų | 163 | 128.7 Ų | 128.7 | 87% | 0.872 | 66% | 0.659 | S | S | * | * | trans | -63.3 | 74.9 | 165.3 | -70.9 | -38.2 | 0 | 0 | 0 | 107 | F99 S103 | F99-D101 PolarHBondContact O-N 3.18Å; F99-D101 VanDerWaalsContact O-N 3.09Å; D101-S103 VanDerWaalsContact C-N 3.27Å; D101-S103 PolarHBondContact O-N 2.96Å | ||
| 102 | C | 54 | Low | 58.6 | Low | 90 Ų | 90 | 124.1 Ų | 124.1 | 61% | 0.608 | 66% | 0.658 | S | S | * | * | trans | -69.6 | 95.7 | 170.6 | -102.4 | 0 | 0 | 0 | 0 | 105.5 | N100 F104 | N100-C102 PolarHBondContact O-N 3.32Å; C102-F104 HydrophobicContact CB-CD2 4.03Å; C102-F104 PolarHBondContact O-N 2.67Å | ||
| 103 | S | 55.9 | Low | 57.4 | Low | 112 Ų | 112 | 128 Ų | 128 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | -67.8 | 25 | 174.9 | 62 | 0 | 0 | 0 | 0 | 113.6 | D101 D105 | D101-S103 VanDerWaalsContact C-N 3.27Å; D101-S103 PolarHBondContact O-N 2.96Å; S103-D105 VanDerWaalsContact C-N 3.27Å; S103-D105 PolarHBondContact O-N 3.11Å | ||
| 104 | F | 56.5 | Low | 56 | Low | 168 Ų | 168 | 132.7 Ų | 132.7 | 74% | 0.737 | 70% | 0.7 | S | S | * | * | trans | -77.4 | 86.5 | 172.7 | -66.3 | -72.6 | 0 | 0 | 0 | 108.5 | C102 L106 | C102-F104 HydrophobicContact CB-CD2 4.03Å; C102-F104 PolarHBondContact O-N 2.67Å; F104-L106 PolarHBondContact O-N 2.97Å | ||
| 105 | D | 57.2 | Low | 54.2 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 57% | 0.572 | 71% | 0.709 | S | S | * | * | trans | -66 | 74.9 | 164.1 | -172.8 | 19.9 | 0 | 0 | 0 | 108.4 | S103 K107 | S103-D105 VanDerWaalsContact C-N 3.27Å; S103-D105 PolarHBondContact O-N 3.11Å; D105-K107 VanDerWaalsContact CG-NZ 3.26Å; D105-K107 PolarHBondContact O-N 3.11Å; D105-K107 WeakPolarHBondContact OD1-CD 3.5Å; D105-K107 IonicContact OD1-NZ 3.91Å; D105-K107 PolarHBondContact OD1-NZ 3.05Å; D105-K107 WeakPolarHBondContact OD2-CE 2.98Å; D105-K107 IonicContact OD2-NZ 3.37Å; D105-K107 PolarHBondContact OD2-NZ 3.09Å | ||
| 106 | L | 61.6 | Low | 52.9 | Low | 155 Ų | 155 | 137.1 Ų | 137.1 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | -70.4 | 84.3 | 160.7 | -67.7 | 177.1 | 0 | 0 | 0 | 105.9 | F104 P108 | F104-L106 PolarHBondContact O-N 2.97Å; L106-P108 WeakPolarHBondContact O-CD 3.38Å; L106-P108 VanDerWaalsContact O-N 3.16Å | ||
| 107 | K | 63.2 | Low | 51.5 | Low | 146 Ų | 146 | 138.7 Ų | 138.7 | 64% | 0.635 | 74% | 0.737 | S | S | * | * | trans | -46.8 | 125.2 | 164.4 | -69.2 | -64.1 | -173.2 | -137.2 | 0 | 106.8 | D105 L109 | D105-K107 VanDerWaalsContact CG-NZ 3.26Å; D105-K107 PolarHBondContact O-N 3.11Å; D105-K107 WeakPolarHBondContact OD1-CD 3.5Å; D105-K107 IonicContact OD1-NZ 3.91Å; D105-K107 PolarHBondContact OD1-NZ 3.05Å; D105-K107 WeakPolarHBondContact OD2-CE 2.98Å; D105-K107 IonicContact OD2-NZ 3.37Å; D105-K107 PolarHBondContact OD2-NZ 3.09Å; K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 3.02Å | ||
| 108 | P | 54.6 | Low | 50.6 | Low | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | -63.5 | 100.6 | 167 | 7.7 | 0 | 0 | 0 | 0 | 105.5 | L106 A110 | L106-P108 WeakPolarHBondContact O-CD 3.38Å; L106-P108 VanDerWaalsContact O-N 3.16Å; P108-A110 PolarHBondContact O-N 2.92Å | ||
| 109 | L | 51.9 | Low | 49.8 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | -60.9 | 107.3 | 172 | -177.1 | 65.2 | 0 | 0 | 0 | 105.4 | K107 R111 | K107-L109 VanDerWaalsContact C-N 3.27Å; K107-L109 PolarHBondContact O-N 3.02Å; L109-R111 PolarHBondContact O-N 2.88Å | ||
| 110 | A | 47.6 | Very low | 48.8 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | trans | -52.9 | 110.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | P108 A112 | P108-A110 PolarHBondContact O-N 2.92Å; A110-A112 PolarHBondContact O-N 2.91Å | ||
| 111 | R | 53.2 | Low | 47.6 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -66.1 | 101.3 | 176 | -168.8 | 177.3 | -152.4 | -173.7 | 5.2 | 106.7 | L109 | L109-R111 PolarHBondContact O-N 2.88Š| ||
| 112 | A | 44.2 | Very low | 46.9 | Very low | 77 Ų | 77 | 144.5 Ų | 144.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A110 | A110-A112 PolarHBondContact O-N 2.91Š|
| 113 | P | 43.9 | Very low | 46.2 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 138.6 | 177 | 27.4 | -30.6 | 0 | 0 | 0 | 110.2 | ||
| 114 | Y | 41.6 | Very low | 45.5 | Very low | 196 Ų | 196 | 150 Ų | 150 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131 | -169.9 | -17.4 | -86 | 0 | 0 | 0 | 112.6 | ||
| 115 | L | 32.5 | Very low | 44.5 | Very low | 168 Ų | 168 | 149 Ų | 149 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | -125.1 | 134.5 | 158 | -156.9 | 166.5 | 0 | 0 | 0 | 108.5 | ||||
| 116 | L | 40.4 | Very low | 43.9 | Very low | 139 Ų | 139 | 149.9 Ų | 149.9 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | -52.8 | 161.7 | -169.2 | -157.2 | 72 | 0 | 0 | 0 | 116.6 | ||||
| 117 | E | 31.7 | Very low | 42.5 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | 88.6 | 95.3 | 154.1 | -94.1 | 162.7 | -161.1 | 0 | 0 | 119.6 | ||||
| 118 | S | 41.2 | Very low | 41.9 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | -149.6 | 99.7 | 120.6 | 63.4 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 119 | Q | 43.8 | Very low | 41 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -58.1 | 129.3 | 156.6 | -172.4 | -167.3 | 37.7 | 0 | 0 | 107.7 | ||||
| 120 | E | 36.9 | Very low | 40.5 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | trans | 179.3 | 108.5 | 137.5 | -98.2 | 166.3 | -168.9 | 0 | 0 | 110.6 | ||||
| 121 | E | 34.8 | Very low | 39.8 | Very low | 168 Ų | 168 | 154 Ų | 154 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 61.2 | 94 | 138.2 | -63.3 | 175.8 | 164.7 | 0 | 0 | 118.3 | ||||
| 122 | E | 38.5 | Very low | 39.4 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 68.5 | 91.2 | 88.8 | -166 | -179.7 | -156.1 | 0 | 0 | 113.8 | |||||
| 123 | K | 38.7 | Very low | 39.1 | Very low | 209 Ų | 209 | 150.5 Ų | 150.5 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | -143.5 | 109.2 | 142.5 | -61.1 | -171.6 | -175.1 | 176.3 | 0 | 110.1 | ||||
| 124 | T | 40.8 | Very low | 39 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | trans | -66.8 | 128.3 | 176.4 | 42.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 125 | V | 36.9 | Very low | 38.9 | Very low | 147 Ų | 147 | 152.6 Ų | 152.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -134.6 | 109.2 | 142.3 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 126 | I | 44.2 | Very low | 39.2 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 64% | 0.641 | 78% | 0.782 | S | S | * | * | trans | -86.9 | 124.9 | 177.9 | -62.2 | 170.1 | 0 | 0 | 0 | 108 | K128 | I126-K128 HydrophobicContact CG2-CD 4.37Å; I126-K128 HydrophobicContact CG2-CG 3.78Å | ||
| 127 | Y | 31.2 | Very low | 39 | Very low | 215 Ų | 215 | 157.7 Ų | 157.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -122.1 | 112.4 | 153.7 | -171.6 | -101.7 | 0 | 0 | 0 | 109.1 | ||||
| 128 | K | 50.7 | Low | 39.1 | Very low | 155 Ų | 155 | 157.6 Ų | 157.6 | 67% | 0.674 | 79% | 0.791 | S | S | * | * | trans | -87.1 | 126.6 | 178 | -70.3 | -76.8 | -177.4 | -177 | 0 | 109.3 | I126 | I126-K128 HydrophobicContact CG2-CD 4.37Å; I126-K128 HydrophobicContact CG2-CG 3.78Å | ||
| 129 | N | 35.6 | Very low | 39 | Very low | 142 Ų | 142 | 157.4 Ų | 157.4 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -134.9 | 126 | 143 | 168.4 | -48.2 | 0 | 0 | 0 | 106.6 | ||||
| 130 | K | 43 | Very low | 38.4 | Very low | 185 Ų | 185 | 156.1 Ų | 156.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -98.3 | 138.2 | -179.4 | -62.4 | 170.4 | 176.7 | 178.5 | 0 | 107.8 | ||||
| 131 | G | 32.3 | Very low | 38.5 | Very low | 64 Ų | 64 | 153.6 Ų | 153.6 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | 158.1 | 96 | 153.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 132 | S | 43.9 | Very low | 38.3 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 55 | 138.6 | 145 | 63.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 133 | S | 38.5 | Very low | 38.2 | Very low | 99 Ų | 99 | 156.5 Ų | 156.5 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | cis | -175.2 | 135.6 | -5 | 40 | 0 | 0 | 0 | 0 | 103.6 | L135 | S133-L135 PolarHBondContact O-N 2.89Š| ||
| 134 | F | 42 | Very low | 37.8 | Very low | 196 Ų | 196 | 155.5 Ų | 155.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -64 | 119.5 | 173.3 | -142.3 | -104.5 | 0 | 0 | 0 | 108.3 | ||||
| 135 | L | 38.3 | Very low | 37.4 | Very low | 160 Ų | 160 | 153.4 Ų | 153.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -123.1 | 93.8 | 158.4 | -77.3 | -178.7 | 0 | 0 | 0 | 107.7 | S133 | S133-L135 PolarHBondContact O-N 2.89Š| ||
| 136 | E | 39.9 | Very low | 37.4 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -39.4 | 127.7 | 155.4 | -171.1 | 169.5 | -157.6 | 0 | 0 | 110.7 | ||||
| 137 | R | 35.9 | Very low | 37 | Very low | 245 Ų | 245 | 155.6 Ų | 155.6 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -131.2 | 104.9 | 165.8 | -144.2 | 176.1 | -168.8 | -179.6 | 3.2 | 108.7 | ||||
| 138 | E | 34.6 | Very low | 37.7 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -58.1 | 150.7 | 172.7 | -168.4 | 169.8 | -173.1 | 0 | 0 | 111.7 | L140 | E138-L140 PolarHBondContact O-N 2.82Š| ||
| 139 | P | 39.4 | Very low | 36.7 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -82.5 | 116.2 | -175.3 | 28.7 | -24.7 | 0 | 0 | 0 | 110.8 | C141 | P139-C141 PolarHBondContact O-N 2.65Å; P139-C141 VanDerWaalsContact O-N 3.11Å | ||
| 140 | L | 31 | Very low | 36.6 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -73.2 | 103.5 | 169.1 | -76.2 | 169.4 | 0 | 0 | 0 | 109.5 | E138 | E138-L140 PolarHBondContact O-N 2.82Š| ||
| 141 | C | 37.5 | Very low | 36.3 | Very low | 112 Ų | 112 | 147 Ų | 147 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -60.4 | 135.1 | 160.3 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | P139 | P139-C141 PolarHBondContact O-N 2.65Å; P139-C141 VanDerWaalsContact O-N 3.11Å | ||
| 142 | Y | 30.5 | Very low | 36.6 | Very low | 212 Ų | 212 | 153.2 Ų | 153.2 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -129.6 | 116.5 | 158.3 | -95 | -87.5 | 0 | 0 | 0 | 108.5 | ||||
| 143 | Q | 37.1 | Very low | 36 | Very low | 184 Ų | 184 | 152.4 Ų | 152.4 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -63.6 | 127.9 | 167.8 | -79.3 | -78.1 | 0.5 | 0 | 0 | 109.1 | G145 | Q143-G145 PolarHBondContact O-N 3.06Š| ||
| 144 | E | 29.9 | Very low | 36.1 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -85 | 96.6 | 173.5 | -167.7 | 148.6 | -150 | 0 | 0 | 108.6 | ||||
| 145 | G | 33.3 | Very low | 35.8 | Very low | 66 Ų | 66 | 152.2 Ų | 152.2 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 130.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q143 | Q143-G145 PolarHBondContact O-N 3.06Š|
| 146 | N | 36.4 | Very low | 35.5 | Very low | 162 Ų | 162 | 153.5 Ų | 153.5 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 141.9 | -175 | -63.7 | -56.8 | 0 | 0 | 0 | 116 | ||
| 147 | N | 36.7 | Very low | 35 | Very low | 156 Ų | 156 | 148.4 Ų | 148.4 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67 | 155.8 | 159.6 | -61.4 | -66.2 | 0 | 0 | 0 | 110.1 | ||
| 148 | P | 44.3 | Very low | 34.8 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | -157.9 | 168.2 | 75.6 | 41.1 | -19.6 | 0 | 0 | 0 | 118.8 | |||||
| 149 | S | 30.3 | Very low | 34.7 | Very low | 114 Ų | 114 | 149.1 Ų | 149.1 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 93.7 | 119.3 | 135.9 | -154.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 150 | A | 33.6 | Very low | 34.3 | Very low | 81 Ų | 81 | 149.3 Ų | 149.3 | 67% | 0.669 | 82% | 0.821 | S | S | * | * | trans | 59.6 | 118.7 | 134.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 151 | K | 37.4 | Very low | 34.5 | Very low | 201 Ų | 201 | 147.3 Ų | 147.3 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | 161 | 152.7 | 97.9 | -82 | -156.2 | 178.7 | -172.7 | 0 | 111.4 | |||||
| 152 | E | 38.8 | Very low | 34.1 | Very low | 193 Ų | 193 | 150.3 Ų | 150.3 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | trans | -52.4 | 143.5 | 178.4 | -65.2 | 162.6 | 132.5 | 0 | 0 | 114.4 | ||||
| 153 | A | 31.5 | Very low | 34.1 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | trans | -157.6 | 130.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 154 | I | 40.4 | Very low | 33.7 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -85.9 | 135 | 177.1 | -47.9 | 160 | 0 | 0 | 0 | 106.7 | ||||
| 155 | S | 35.4 | Very low | 33.8 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -157.4 | 138 | 153.7 | 67.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 156 | E | 30.9 | Very low | 33.7 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -69.8 | 163.9 | -171.7 | -54.7 | 178.8 | 144.1 | 0 | 0 | 115.4 | ||||
| 157 | G | 31 | Very low | 33.3 | Very low | 62 Ų | 62 | 146.2 Ų | 146.2 | 64% | 0.639 | 82% | 0.82 | S | S | * | * | trans | 84.4 | 119.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 158 | Y | 31 | Very low | 33.1 | Very low | 230 Ų | 230 | 148.9 Ų | 148.9 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | -177.2 | 105.8 | 112.8 | -96.5 | -73.9 | 0 | 0 | 0 | 108.5 | |||||
| 159 | F | 32.5 | Very low | 32.5 | Very low | 201 Ų | 201 | 151.9 Ų | 151.9 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | trans | -66.9 | 139.6 | 159.5 | -79 | -95.4 | 0 | 0 | 0 | 108.7 | ||||
| 160 | S | 31.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 154.7 Ų | 154.7 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | trans | -125.9 | 97.6 | 158 | -87 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 161 | S | 34.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 158.4 Ų | 158.4 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | trans | -73 | 122.1 | 164.7 | 47.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 162 | L | 29 | Very low | 32.9 | Very low | 176 Ų | 176 | 157.1 Ų | 157.1 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | -113.9 | 96.1 | 161.3 | -91 | 163.3 | 0 | 0 | 0 | 108.1 | ||||
| 163 | S | 30.3 | Very low | 32.7 | Very low | 106 Ų | 106 | 155.9 Ų | 155.9 | 74% | 0.741 | 83% | 0.828 | S | S | * | * | trans | -84.7 | 125.7 | 160.9 | 49 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 164 | L | 28.2 | Very low | 32.8 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -143.5 | 98 | 158.9 | -161.7 | 67 | 0 | 0 | 0 | 110.6 | ||||
| 165 | S | 32.1 | Very low | 32.6 | Very low | 105 Ų | 105 | 151.4 Ų | 151.4 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 40.7 | 110.6 | 139.6 | -50.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 166 | Q | 32.5 | Very low | 32.9 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -28 | 126.8 | 143.6 | 173.4 | 175.7 | -21.1 | 0 | 0 | 116.1 | ||||
| 167 | E | 27.8 | Very low | 33.5 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -133.8 | 126.3 | 139.7 | -69.3 | -160.2 | 163.6 | 0 | 0 | 108.5 | ||||
| 168 | R | 32.3 | Very low | 34.2 | Very low | 213 Ų | 213 | 150.7 Ų | 150.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -90.3 | 126.9 | 172.2 | -67.5 | -176 | -167 | -178.4 | 3.2 | 106.8 | ||||
| 169 | E | 30.5 | Very low | 34.7 | Very low | 185 Ų | 185 | 151.3 Ų | 151.3 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -107.8 | 120.8 | 153.2 | -107.3 | -166 | 157.7 | 0 | 0 | 108 | ||||
| 170 | E | 36.8 | Very low | 35.3 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -76.2 | 113.4 | 167.8 | -75.3 | -178.8 | 142.8 | 0 | 0 | 108.4 | ||||
| 171 | D | 33.9 | Very low | 35.6 | Very low | 160 Ų | 160 | 148 Ų | 148 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | -101.6 | 101.2 | 159.5 | -90.3 | -22.6 | 0 | 0 | 0 | 108.8 | ||||
| 172 | Q | 40.6 | Very low | 36 | Very low | 174 Ų | 174 | 151.2 Ų | 151.2 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -77.9 | 116.1 | 162.7 | -72.9 | -97.3 | 39.6 | 0 | 0 | 108.2 | ||||
| 173 | D | 34.7 | Very low | 36.9 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | trans | -149.6 | 131.3 | 145.7 | -149.9 | -4 | 0 | 0 | 0 | 111.5 | ||||
| 174 | G | 32.3 | Very low | 37.3 | Very low | 68 Ų | 68 | 153.8 Ų | 153.8 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 147.6 | -158.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 175 | S | 37.4 | Very low | 38.3 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 136.5 | 159.4 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | S177 | S175-S177 PolarHBondContact O-N 2.87Š|
| 176 | P | 41.7 | Very low | 39 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 126.4 | 175.4 | 30.3 | -30.4 | 0 | 0 | 0 | 110.6 | ||
| 177 | S | 43.8 | Very low | 40 | Very low | 108 Ų | 108 | 161 Ų | 161 | 76% | 0.755 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 128.8 | 171.9 | -165.2 | 0 | 0 | 0 | 0 | 110.4 | S175 | S175-S177 PolarHBondContact O-N 2.87Š|
| 178 | P | 46 | Very low | 40.7 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 79% | 0.792 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -78 | 125.3 | 167.5 | -11.5 | 28.1 | 0 | 0 | 0 | 110.1 | ||
| 179 | R | 39.6 | Very low | 41.1 | Very low | 243 Ų | 243 | 156.5 Ų | 156.5 | 92% | 0.917 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 144.4 | 178 | -67.5 | -178.6 | 172.8 | -165.6 | -2.4 | 111.5 | G181 | R179-G181 PolarHBondContact O-N 2.82Š|
| 180 | L | 45.1 | Very low | 41.7 | Very low | 179 Ų | 179 | 154.9 Ų | 154.9 | 94% | 0.937 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 121.6 | 169.2 | -67 | 160 | 0 | 0 | 0 | 111.3 | ||
| 181 | G | 38.6 | Very low | 42 | Very low | 74 Ų | 74 | 153.9 Ų | 153.9 | 76% | 0.763 | 85% | 0.851 | S | S | * | * | trans | -94.7 | 101.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R179 L183 | R179-G181 PolarHBondContact O-N 2.82Å; G181-L183 PolarHBondContact O-N 2.92Å | ||
| 182 | L | 43.7 | Very low | 42.5 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 92% | 0.916 | 85% | 0.85 | S | S | * | * | trans | -62 | 115.5 | 162.3 | -90 | 159.6 | 0 | 0 | 0 | 109 | ||||
| 183 | L | 47.3 | Very low | 42.6 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 88% | 0.88 | 85% | 0.853 | S | S | * | * | trans | -93.3 | 108.9 | 164.7 | -71 | 176.1 | 0 | 0 | 0 | 108.9 | G181 | G181-L183 PolarHBondContact O-N 2.92Š| ||
| 184 | K | 38.7 | Very low | 43.2 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 73% | 0.73 | 85% | 0.85 | S | S | * | * | trans | -72.2 | 117.2 | 171.4 | -166.4 | -176.2 | -172.1 | -149.7 | 0 | 107.9 | E186 | K184-E186 IonicContact NZ-OE1 3.28Å; K184-E186 PolarHBondContact NZ-OE1 2.92Å | ||
| 185 | L | 48.8 | Very low | 44 | Very low | 173 Ų | 173 | 157.5 Ų | 157.5 | 91% | 0.906 | 86% | 0.861 | S | S | * | * | trans | -85.9 | 110.7 | 163.7 | -76.7 | 165.8 | 0 | 0 | 0 | 107 | ||||
| 186 | E | 47.4 | Very low | 44.6 | Very low | 152 Ų | 152 | 161.4 Ų | 161.4 | 71% | 0.71 | 87% | 0.869 | S | S | * | * | trans | -87.1 | 141.7 | 163.2 | -105.4 | 167.9 | -159.1 | 0 | 0 | 109 | K184 | K184-E186 IonicContact NZ-OE1 3.28Å; K184-E186 PolarHBondContact NZ-OE1 2.92Å | ||
| 187 | L | 54.2 | Low | 44.8 | Very low | 250 Ų | 250 | 164.7 Ų | 164.7 | 100% | 1.309 | 87% | 0.874 | S | S | * | * | trans | -54.2 | 0 | -169.1 | -81.1 | 147.3 | 0 | 0 | 0 | 115.2 |
Retrieved 187 of 187 residues in 60.6 ms
(Link to these results)